Academic literature on the topic 'Complete computational structure'
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Journal articles on the topic "Complete computational structure"
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Aleksandrowicz, Gadi, Hana Chockler, Joseph Y. Halpern, and Alexander Ivrii. "The Computational Complexity of Structure-Based Causality." Journal of Artificial Intelligence Research 58 (February 27, 2017): 431–51. http://dx.doi.org/10.1613/jair.5229.
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Halpern and Pearl introduced a definition of actual causality; Eiter and Lukasiewicz showed that computing whether X = x is a cause of Y = y is NP-complete in binary models (where all variables can take on only two values) and Σ^P_2 -complete in general models. In the final version of their paper, Halpern and Pearl slightly modified the definition of actual cause, in order to deal with problems pointed out by Hopkins and Pearl. As we show, this modification has a nontrivial impact on the complexity of computing whether {X} = {x} is a cause of Y = y. To characterize the complexity, a new family D_k^P , k = 1, 2, 3, . . ., of complexity classes is introduced, which generalises the class DP introduced by Papadimitriou and Yannakakis (DP is just D_1^P). We show that the complexity of computing causality under the updated definition is D_2^P -complete. Chockler and Halpern extended the definition of causality by introducing notions of responsibility and blame, and characterized the complexity of determining the degree of responsibility and blame using the original definition of causality. Here, we completely characterize the complexity using the updated definition of causality. In contrast to the results on causality, we show that moving to the updated definition does not result in a difference in the complexity of computing responsibility and blame.
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Adolf-Bryfogle, Jared, Frank D. Teets, and Christopher D. Bahl. "Toward complete rational control over protein structure and function through computational design." Current Opinion in Structural Biology 66 (February 2021): 170–77. http://dx.doi.org/10.1016/j.sbi.2020.10.015.
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BERGMAN, CLIFFORD, and GIORA SLUTZKI. "COMPUTATIONAL COMPLEXITY OF GENERATORS AND NONGENERATORS IN ALGEBRA." International Journal of Algebra and Computation 12, no. 05 (October 2002): 719–35. http://dx.doi.org/10.1142/s0218196702001127.
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We discuss the computational complexity of several problems concerning subsets of an algebraic structure that generate the structure. We show that the problem of determining whether a given subset X generates an algebra A is P-complete, while determining the size of the smallest generating set is NP-complete. We also consider several questions related to the Frattini subuniverse, Φ(A), of an algebra A. We show that the membership problem for Φ(A) is co-NP-complete, while the membership problems for Φ(Φ(A)), Φ(Φ(Φ(A))),… all lie in the class P‖(NP).
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Vejdemo-Johansson, Mikael. "Blackbox computation of A ∞-algebras." gmj 17, no. 2 (June 2010): 391–404. http://dx.doi.org/10.1515/gmj.2010.005.
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Abstract Kadeishvili's proof of theminimality theorem [T. Kadeishvili, On the homology theory of fiber spaces, Russ. Math. Surv. 35:3 (1980), 231–238] induces an algorithm for the inductive computation of an A ∞-algebra structure on the homology of a dg-algebra. In this paper, we prove that for one class of dg-algebras, the resulting computation will generate a complete A ∞-algebra structure after a finite amount of computational work.
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Golod, V. M., and L. Yu Dobosh. "DIAGNOSTICS OF DENDRITE STRUCTURE OF MULTICOMPONENT ALUMINUM ALLOYS." Litiyo i Metallurgiya (FOUNDRY PRODUCTION AND METALLURGY), no. 1 (April 6, 2018): 55–62. http://dx.doi.org/10.21122/1683-6065-2018-1-55-62.
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Stages of system analysis and mathematical models for predicting the dendritic structure of multicomponent aluminum alloys are considered. Computer diagnostics of nonequilibrium crystallization is realized by the joint use of the apparatus of computational thermodynamics and means of computational heat transfer for solving problems of computational materials science. The results of modeling the evolution of the dendritic structure are presented with a change in the diffusion intensity in the solid phase from equilibrium conditions to complete suppression.
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FU, YUXI. "Non-deterministic structures of computation." Mathematical Structures in Computer Science 25, no. 6 (November 10, 2014): 1295–338. http://dx.doi.org/10.1017/s0960129514000012.
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Divergence and non-determinism play a fundamental role in the theory of computation, and their combined effect on computational equality deserves further study. By looking at the issue from the point of view of both computation and interaction, we are led to a canonical equality for non-deterministic computation, revealing its rich algebraic structure. We study this structure in three ways. First, we construct a complete equational system for finite-state non-deterministic computation. The challenge with such a system is to find an equational alternative to fixpoint inductionà laMilner. We establish a negative result in the form of the non-existence of a finite equational system for the canonical equality of non-deterministic computation to support our approach. We then investigate infinite-state non-deterministic computation in the light of definability and show that every recursively enumerable set is generated by an unobservable process. Finally, we prove that, as far as computation is concerned, the effect produced jointly by divergence and non-determinism is model independent for a large class of process models.We use C-graphs, which are interesting in their own right, as abstract representations of the computational objects throughout the paper.
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Sobczyk, Kamil, Ryszard Chmielewski, and Krzysztof Duda. "The concept of a prefabricated structure for protection of critical infrastructure facilities." Bulletin of the Military University of Technology 67, no. 2 (June 29, 2018): 133–44. http://dx.doi.org/10.5604/01.3001.0012.0979.
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The paper presents the concept of a protective structure in the form of a prefabricated reinforced concrete protective dome intended for protection of a single critical infrastructure facility [1]. Unlike non-movable cast-in-place reinforced concrete structures, the protective structure can be assembled and disassembled repeatedly with the use of dedicated joining sockets. To provide the concept with a high mobility, the dimensions of single modules of the prefabricated reinforced concrete protective dome meet the transport limits dictated by the horizontal and vertical clearance of roads. A numerical computational analysis facilitated a determination of the distribution of internal forces in the protective stricture and dimensioning of the required reinforcement system [3]. The computations included standardized cases of steady and dynamic loads, and combinations thereof, complete with parameters of dynamic loads from an explosion impulse. Keywords: building engineering, protective structure, prefabricated dome
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Song, Bosheng, and Yuan Kong. "Solution to PSPACE-Complete Problem Using P Systems with Active Membranes with Time-Freeness." Mathematical Problems in Engineering 2019 (June 27, 2019): 1–8. http://dx.doi.org/10.1155/2019/5793234.
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P systems with active membranes are powerful parallel natural computing models, which were inspired by cell structure and behavior. Inspired by the parallel processing of biological information and with the idealistic assumption that each rule is completed in exactly one time unit, P systems with active membranes are able to solve computational hard problems in a feasible time. However, an important biological fact in living cells is that the execution time of a biochemical reaction cannot be accurately divided equally and completed in one time unit. In this work, we consider time as an important factor for the computation in P systems with active membranes and investigate the computational efficiency of such P systems. Specifically, we present a time-free semiuniform solution to the quantified Boolean satisfiability problem (QSATproblem, for short) in the framework of P systems with active membranes, where the solution to such problem is correct, which does not depend on the execution time for the used rules.
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Dinneen, Michael J., Yun-Bum Kim, and Radu Nicolescu. "Towards Structured Modelling with Hyperdag P Systems." International Journal of Computers Communications & Control 5, no. 2 (June 1, 2010): 224. http://dx.doi.org/10.15837/ijccc.2010.2.2477.
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Although P systems are computationally complete, many real world models, such as socio-economic systems, databases, operating systems and distributed systems, seem to require more expressive power than provided by tree structures. Many such systems have a primary tree-like structure augmented with shared or secondary communication channels. Modelling these as tree-based systems, while theoretically possible, is not very appealing, because it typically needs artificial extensions that introduce additional complexities, inexistent in the originals. In this paper, we propose and define a new model called hyperdag P systems, in short, hP systems, which extend the definition of conventional P systems, by allowing dags, interpreted as hypergraphs, instead of trees, as models for the membrane structure. We investigate the relation between our hP systems and neural P systems. Despite using an apparently restricted structure, i.e., a dag instead of a general graph, we argue that hP systems have essentially the same computational power as tissue and neural P systems. We argue that hP systems offer a structured approach to membranebased modelling that is often closer to the behavior and underlying structure of the modelled objects.
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Sadowski, Michał. "Topological structure of complete Riemannian manifolds with cyclic holonomy groups." Differential Geometry and its Applications 23, no. 2 (September 2005): 106–13. http://dx.doi.org/10.1016/j.difgeo.2005.05.003.
Full textDissertations / Theses on the topic "Complete computational structure"
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Jin, Meilan. "Signal Structure for a Class of Nonlinear Dynamic Systems." BYU ScholarsArchive, 2018. https://scholarsarchive.byu.edu/etd/6829.
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The signal structure is a partial structure representation for dynamic systems. It characterizes the causal relationship between manifest variables and is depicted in a weighted graph, where the weights are dynamic operators. Earlier work has defined signal structure for linear time-invariant systems through dynamical structure function. This thesis focuses on the search for the signal structure of nonlinear systems and proves that the signal structure reduces to the linear definition when the systems are linear. Specifically, this work: (1) Defines the complete computational structure for nonlinear systems. (2) Provides a process to find the complete computational structure given a state space model. (3) Defines the signal structure for dynamic systems in general. (4) Provides a process to find the signal structure for a class of dynamic systems from their complete computational structure.
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Wang, Xu. "Computational Studies of Structures and Binding Properties of Protein-Ligand Complexes." Doctoral thesis, KTH, Teoretisk kemi och biologi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-207100.
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Proteins are dynamic structural entities that are involved in many biophysical processes through molecular interactions with their ligands. Protein-ligand interactions are of fundamental importance for computer-aided drug discovery. Due to the fast development in computer technologies and theoretical methods, computational studies are by now able to provide atomistic-level description of structures, thermodynamic and dynamic properties of protein-ligand systems, and are becoming indispensable in understanding complicated biomolecular systems. In this dissertation, I have applied molecular dynamic (MD) simulations combined with several state of the art free-energy calculation methodologies, to understand structures and binding properties of several protein-ligand systems. The dissertation consists of six chapters. In the first chapter, I present a brief introduction to classical MD simulations, to recently developed methods for binding free energy calculations, and to enhanced sampling of configuration space of biological systems. The basic features, including the Hamiltonian equations, force fields, integrators, thermostats, and barostats, that contribute to a complete MD simulation are described in chapter 2. In chapter 3, two classes of commonly used algorithms for estimating binding free energies are presented. I highlight enhanced sampling approaches in chapter 4, with a special focus on replica exchange MD simulations and metadynamics, as both of them have been utilized in my work presented in the chapter thereafter. In chapter 5, I outlined the work in the 5 papers included in the thesis. In paper I and II, I applied, respectively, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) and alchemical free energy calculation methods to identify the molecular determinant of the affibody protein ZAb3 bound to an amyloid b peptide, and to investigate the binding profile of the positive allosteric modulator NS-1738 with the α7 acetylcholine-binding protein (α7-AChBP protein); in paper III and VI, unbiased MD simulations were integrated with the well-tempered metadynamics approach, with the aim to reveal the mechanism behind the higher selectivity of an antagonist towards corticotropin-releasing factor receptor-1 (CRF1R) than towards CRF2R, and to understand how the allosteric modulation induced by a sodium ion is propagated to the intracellular side of the d-opioid receptor; in the last paper, I proved the structural heterogeneity of the intrinsically disordered AICD peptide, and then employed the bias-exchange metadynamics and kinetic Monte Carlo techniques to understand the coupled folding and binding of AICD to its receptor Fe65-PTB2. I finally proposed that the interactions between AICD and Fe65-PTB2 take place through an induced-fit mechanism. In chapter 6, I made a short conclusion of the work, with an outlook of computational simulations of biomolecular systems.QC 20170516
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Hamilton, Alexander J. "Structural and Computational Investigations into Phosphine and Scorpionate Ligand Complexes." Thesis, University of Bristol, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.525458.
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Krämer, Tobias. "Electronic structure of open-shell transition metal complexes." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:1f4a1330-281d-4696-b3e6-62b76fb41d65.
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This thesis presents electronic structure calculations on problems related to the bonding in inorganic coordination compounds and clusters. A wide range of molecules with the ability to exist in different structural forms or electronic states has been selected and density functional theory is systematically applied in order to gain detailed insight into their characteristics and reactivity at the electronic level. First, we address the question of redox non-innocent behaviour of bipyridine in a series of 1st row transition metal complexes. Complexes of the type [M(2,2'-bipyridine)(mes)₂]0 (M = Cr, Mn, Fe, Co, Ni; mes = 2,4,6-Me₃C6H₂) and their one-electron reduced forms have been explored. The results clearly show that the anions are best described as complexes of the monoanionic bipyridine radical (Sbpy = 1/2), giving a rationale for the observed structural changes within the ligand. Likewise, we have identified dianionic bipyridine in both the complexes [Zn2(4,4'-bpy)(mes)₄]²− and [Fe(2,2'-bpy)₂]²−. In no case have we found evidence for significant metal-to-ligand backbonding. The subject of redox-noninnocence is further revisited in a comparative study of the two complexes [M(o-Clpap)₃] (M = Cr, Mo; o-Clpap = 2-[(2-chloro-phenyl)azo]-pyridine), and their associated electron transfer series. The results indicate that all electron transfer processes are primarily ligand-based, although in the case of the Mo analogue these are coupled to substantial electron density changes at the metal. The ability of pap to form radical anions finds a contrasting case in the di- nuclear Rh complex [Rh₂(μ-p-Clpap)₂ (cod)Cl₂], where the two ligand bridges act as acceptors of strong dπ∗ backbonding from a formally Rh–I centre. We then direct our attention to the endohedral Zintl clusters [Fe@Ge10]³− and [Mn@Pb12]³−, which reveal peculiar topologies. We have probed the electronic factors that influence their geometric preferences, and propose a model based on the shift of electron density from the endo- hedral metal to the cage to account for the observed geometries. Subsequently, we reassess the electronic structure of the xenophilic clusters Mn₂(thf)₄(Fe(CO)₄)₂ and [Mn(Mn(thf)₂)₃(Mn(CO)₄)₃]–. We conclude that these are best viewed as exchange coupled MnII centres bridged by closed- shell carbonylate fragments. In the closing chapter the reduction of NO₂– to NO by the complex [Cu(tct)(NO₂)]+ (tct = cis,cis-1,3,5-tris(cinnamylideneamino)cyclohexane) is studied, a process that mimics the enzyme-catalysed reaction. Two viable pathways for the reaction have been traced and key inter-mediates identified. Both direct release of NO or via decomposition of a Cu-NO complex are kinetically and thermodynamically feasible.
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Fernandez, Charles. "Modélisation et validation expérimentale des complexes insonorisants pour la prévision vibroacoustique numérique basse et moyenne fréquences des automobiles." Phd thesis, Université Paris-Est, 2008. http://tel.archives-ouvertes.fr/tel-00470535.
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Dans cette recherche, on construit un modèle simplifié en basses et moyennes fréquences de complexes insonorisants (habillages) de l'industrie automobile à partir d'un élément élastoacoustique stochastique. Le modèle simplifié moyen est issu d'une extension de la théorie des structures floues et dépend de trois paramètres physiques : densité modale, amortissement et masse participante. Le modèle simplifié stochastique qui prend en compte les incertitudes de modèle et de données est construit en utilisant une approche probabiliste non paramétrique et dépend de trois paramètres de dispersion. Le modèle simplifié de l'habillage est implémenté dans un modèle vibroacoustique stochastique industriel d'automobile. Deux problèmes inverses sont résolus à l'aide d'une base de données expérimentales sur véhicules construite en parallèle et permettent d'identifier les paramètres du modèle complet. L'analyse des résultats permet de valider les développements théoriques et la méthodologie proposée
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Barbaresi, Mattia. "Computational mechanics: from theory to practice." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2018. http://amslaurea.unibo.it/15649/.
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In the last fifty years, computational mechanics has gained the attention of a large number of disciplines, ranging from physics and mathematics to biology, involving all the disciplines that deal with complex systems or processes. With ϵ-machines, computational mechanics provides powerful models that can help characterizing these systems. To date, an increasing number of studies concern the use of such methodologies; nevertheless, an attempt to make this approach more accessible in practice is lacking yet. Starting from this point, this thesis aims at investigating a more practical approach to computational mechanics so as to make it suitable for applications in a wide spectrum of domains. ϵ-machines are analyzed more in the robotics scene, trying to understand if they can be exploited in contexts with typically complex dynamics like swarms. Experiments are conducted with random walk behavior and the aggregation task. Statistical complexity is first studied and tested on the logistical map and then exploited, as a more applicative case, in the analysis of electroencephalograms as a classification parameter, resulting in the discrimination between patients (with different sleep disorders) and healthy subjects.
The number of applications that may benefit from the use of such a technique is enormous. Hopefully, this work has broadened the prospect towards a more applicative interest.
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Abeln, Sanne. "Protein fold evolution on completed genomes : distinguishing between young and old folds." Thesis, University of Oxford, 2007. http://ora.ox.ac.uk/objects/uuid:b520fd65-e829-4ae0-bed6-47d642909889.
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We review fold usage on completed genomes in order to explore protein structure evolution and assess the evolutionary relevance of current structural classification systems (SCOP and CATH). We assign folds on a set of 150 completed genomes using fold recognition methods (PSI-BLAST, SUPERFAMILY and Gene3D). The patterns of presence or absence of folds on genomes gives us insights into the relationships between folds and how we have arrived at the set of folds we see today. In particular, we develop a technique to estimate the relative ages of a protein fold based on genomic occurrence patterns in a phylogeny. We find that SCOP's `alpha/beta' class has relatively fewer distinct folds on large genomes, and that folds of this class tend to be older; folds of SCOP's `small protein' class follow opposite trends. Usage patterns show that folds with many copies on a genome are generally old, but that old folds do not necessarily have many copies. In addition, longer domains tend to be older and hydrophobic amino acids have high propensities for older folds whereas, polar - but non-charged - amino acids are associated with younger folds. Generally domains with stabilising features tend to be older. We also show that the reliability of fold recognition methods may be assessed using occurrence patterns. We develop a method, that detects false positives by identifying isolated occurrences in a phylogeny of species, and is able to improve genome wide fold recognition assignment sets. We use a structural fragment library to investigate evolutionary links between protein folds. We show that 'older' folds have relatively more such links than 'younger' folds. This correlation becomes stronger for longer fragment lengths suggesting that such links may reflect evolutionary relatedness.
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Farmer, Julian Dominic. "Synthetic, spectroscopic, structural and computational studies of enyl and ynyl carbon-rich complexes." Thesis, Durham University, 2009. http://etheses.dur.ac.uk/162/.
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This thesis describes the synthesis and analysis of organometallic complexes that feature either enyl or ynyl linkages. Chapter 1 introduces a general overview of electron transfer, classification of mixed-valence complexes and the modelling of mixed-valence complexes using density functional theory. The synthesis of a range of trans-RuCl(C≡CC6H4R)(dppe)2 complexes, in which R is either an electron donor (Me, OMe, C5H11) or acceptor (NO2, CO2Me), from the five-coordinate complex [RuCl(dppe)2]OTf is described. This synthetic route represents an alternative to the long-standing methods based on cis-RuCl2(dppe)2. Improved synthetic routes to both [RuCl(dppe)2]OTf and cis-RuCl2(dppe)2 are also given. These compounds were fully characterised spectroscopically and the molecular structures of [RuCl(dppe)2]OTf, trans-RuCl(C≡CC6H4OMe)(dppe)2, trans-RuCl(C≡CC6H4Me)(dppe)2, and trans-RuCl(C≡CC6H4CO2Me)(dppe)2 determined and analysed. The structures conform with literature precedence. The synthesis of ruthenium complexes based on RuCl(dppe)2 and Ru(dppe)Cp* units, featuring 1,3-diethynylbenzene bridging ligands has been achieved. The electronic structures of 1,3-{trans-Cl(dppe)2RuC≡C}c2C6H4, 1,3-{Cp*(dppe)RuC≡C}2C6H4 and 1,3-{Cp*(dppe)RuC≡C}2-5-(HC≡C)C6H3 have been investigated using a combination of UV-vis-NIR and IR spectroscopies and computational studies. In contrast to the case of closely related iron compounds, for the ruthenium complexes 1,3-{trans-Cl(dppe)2RuC≡C}2C6H4, 1,3-{Cp*(dppe)RuC≡C}2C6H4 and 1,3-{Cp*(dppe)RuC≡C}2-5-(HC≡C)C6H3 the bridging aryl moiety is heavily involved in the oxidation process, and consequently descriptions of the electronic structures and electronic transitions in terms of the language developed for mixed-valence systems with clearly identifiable metal oxidation states are not appropriate. The description of the low-energy absorption bands from the mixed-valence complexes are therefore better described as charge transfer transitions rather than IVCT transitions. A range of mono vinyl Ru(CH=CHC6H4R-4)(CO)(PPh3)Tp complexes have been obtained from the reaction of RuHCl(CO)(PPh3)3 with para- substituted ethynylphenylenes, and KTp. (R = NO2, CO2Me, CN, Me and OMe). These complexes have been fully characterised spectroscopically, with molecular structures for Ru(CH=CHC6H4NO2-4)(CO)(PPh3)Tp, Ru(CH=CHC6H4CN-4)(CO)(PPh3)Tp, Ru(CH=CHC6H4CH3)(CO)(PPh3)Tp and Ru(CH=CHC6H4OMe-4)(CO)(PPh3)Tp being determined and analysed. The electronic structures of these mono vinyl complexes have been also investigated using a combination of UV-vis-NIR and IR spectroscopies and computational studies, revealing the redox activity of the styrene-derived ligand. Hydroruthenation of 1,3-, 1,4- diethynylbenzene and 1,3,5-triethynylbenzene affords the di- and trimetalled vinyl complexes, which have been characterised spectroscopically. The bridging ligand is shown to be redox non-innocent. A simple protocol that allows the preparation of either “symmetric” A3 or “asymmetric” AB2 triethynyl methanol derivatives through the reaction of acetylide anions with chloroethylformate, has been explored. This synthetic protocol is not only high yielding, but avoids the harsh conditions used in literature methods. The molecular structures of Me3SiC≡C(COH)(C6H4I)2 and HC≡C(COH)(C6H4I)2 have been determined and analysed, with the packing motifs in the solid state arising from halogen interactions identified. The use of these ligands as branched core ligands has also been investigated, and whilst difficulties have been encountered synthetic work to resolve these has been initiated. A selection of pro-ligands and both mono- and tris-metallated ligand complexes based on a triarylamine core have been prepared. The electronic and structural nature of Me3SiC≡C(C6H4)NTol2, Fe(C≡C(C6H4)NTol2)(dppe)Cp and [{Fe(dppe)Cp}3(μ-(C≡CC6H4)3N)] have been investigated using a combination of UV-vis-NIR and IR spectroscopies and computational studies indicating electronic interactions between the remote metal centres in the case of [{Fe(dppe)Cp}3(μ-(C≡CC6H4)3N)]n+ (n = 1, 2). The molecular structures of Me3SiC≡C(C6H4)NTol2, HC≡C(C6H4)NTol2, Ru(C≡C(C6H4)NTol2)(dppe)Cp* and Fe(C≡C(C6H4)NTol2)(dppe)Cp have been determined and analysed.
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Ferrario, Maria Giovanna. "On the recognition of ecdysteroids by the ecdysone receptor : a computational study." Strasbourg, 2010. https://publication-theses.unistra.fr/restreint/theses_doctorat/2010/FERRARIO_Maria_Giovanna_2010.pdf.
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Afaneh, Akef. "Computational investigations of the electronic structure of molecular mercury compounds: ion-selective sensors." Springer International Publishing AG, 2012. http://hdl.handle.net/1993/30661.
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This thesis presents the basic concepts of electronic structure theory and the chemical properties of mercury. The theoretical foundation of DFT and the consequences of relativity are also introduced. The electronic structure of Hg(II) ions, [Hg(L)n(H2O)m]q (L = HO-, Cl-, HS-, S2-) has been studied. We show, in this thesis, that the charge transfer (that is calculated from the hard-soft-acid-base principle (Pearson’s principle)), the total NBO charge and the interaction energies are strongly correlated. Our studies indicate the effect of the solvent on the global electrophilicity, the charge transfer and consequently the interaction strength between Hg(II) and ligand L. The formation constants, logK, of Hg2+−complexes are calculated. The procedure that we follow in this thesis to calculate the formation constants, logK’s, are in good agreement with the extrapolated experimental values. We introduce and explain why it is important adding water molecules explicitly during the calculations of the logK. The recommended logK value of HgS is 27.2. We examined two different types of organic compounds as sensors for heavy metal ions: lumazine (Lm) and 6-thienyllumazine (TLm). We found that the simple calculation of pKa values using DFT methods and implicit solvent models failed to reproduce the experimental values. However, calculated orbital energies and gas phase acidities both indicate that the compound TLm is inherently more acidic than the parent species Lm. We demonstrate that: (1) we need to take in our consideration the population of each tautomer and conformer during the calculations of the pKa values, and (2) thienyl group has indirect effect on the acidity of the proton on N1 in the uracil ring. Last but not least, the fluorescence spectrum of the sensors (L) and their [(L)nM(H2O)m]2+ complexes (L = Lumazine (Lm) and 6-thienyllumazine (TLm) and M = Cd2+and Hg2+) are calculated using time dependent DFT (TDDFT). The results show that TDDFT is in good agreement with experimental results. This chapter provides a new concept in the design of fluorescence turn-on/off sensors that has wider applicability for other systems. Finally, we provide a summary of the works compiled in this thesis and an outlook on potential future work.October 2015
Books on the topic "Complete computational structure"
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Structures, Congress '86 (1986 New Orleans La ). Recent applications in computational mechanics: Proceedings of 2 sessions at Structures Congress '86. New York, N.Y: The Society, 1986.
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Steven, Rosenberg, and Clara L. Aldana. Analysis, geometry, and quantum field theory: International conference in honor of Steve Rosenberg's 60th birthday, September 26-30, 2011, Potsdam University, Potsdam, Germany. Providence, Rhode Island: American Mathematical Society, 2012.
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Percus, Allon, Gabriel Istrate, and Cristopher Moore, eds. Computational Complexity and Statistical Physics. Oxford University Press, 2005. http://dx.doi.org/10.1093/oso/9780195177374.001.0001.
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Computer science and physics have been closely linked since the birth of modern computing. In recent years, an interdisciplinary area has blossomed at the junction of these fields, connecting insights from statistical physics with basic computational challenges. Researchers have successfully applied techniques from the study of phase transitions to analyze NP-complete problems such as satisfiability and graph coloring. This is leading to a new understanding of the structure of these problems, and of how algorithms perform on them. Computational Complexity and Statistical Physics will serve as a standard reference and pedagogical aid to statistical physics methods in computer science, with a particular focus on phase transitions in combinatorial problems. Addressed to a broad range of readers, the book includes substantial background material along with current research by leading computer scientists, mathematicians, and physicists. It will prepare students and researchers from all of these fields to contribute to this exciting area.
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Dasgupta, Subrata. The Second Age of Computer Science. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780190843861.001.0001.
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By the end of the 1960s, a new discipline named computer science had come into being. A new scientific paradigm--the 'computational paradigm'--was in place, suggesting that computer science had reached a certain level of maturity. Yet as a science it was still precociously young. New forces, some technological, some socio-economic, some cognitive impinged upon it, the outcome of which was that new kinds of computational problems arose over the next two decades. Indeed, by the beginning of the 1990's the structure of the computational paradigm looked markedly different in many important respects from how it was at the end of the 1960s. Author Subrata Dasgupta named the two decades from 1970 to 1990 as the second age of computer science to distinguish it from the preceding genesis of the science and the age of the Internet/World Wide Web that followed. This book describes the evolution of computer science in this second age in the form of seven overlapping, intermingling, parallel histories that unfold concurrently in the course of the two decades. Certain themes characteristic of this second age thread through this narrative: the desire for a genuine science of computing; the realization that computing is as much a human experience as it is a technological one; the search for a unified theory of intelligence spanning machines and mind; the desire to liberate the computational mind from the shackles of sequentiality; and, most ambitiously, a quest to subvert the very core of the computational paradigm itself. We see how the computer scientists of the second age address these desires and challenges, in what manner they succeed or fail and how, along the way, the shape of computational paradigm was altered. And to complete this history, the author asks and seeks to answer the question of how computer science shows evidence of progress over the course of its second age.
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Butz, Martin V., and Esther F. Kutter. Primary Visual Perception from the Bottom Up. Oxford University Press, 2017. http://dx.doi.org/10.1093/acprof:oso/9780198739692.003.0008.
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This chapter addresses primary visual perception, detailing how visual information comes about and, as a consequence, which visual properties provide particularly useful information about the environment. The brain extracts this information systematically, and also separates redundant and complementary visual information aspects to improve the effectiveness of visual processing. Computationally, image smoothing, edge detectors, and motion detectors must be at work. These need to be applied in a convolutional manner over the fixated area, which are computations that are predestined to be solved by means of cortical columnar structures in the brain. On the next level, the extracted information needs to be integrated to be able to segment and detect object structures. The brain solves this highly challenging problem by incorporating top-down expectations and by integrating complementary visual information aspects, such as light reflections, texture information, line convergence information, shadows, and depth information. In conclusion, the need for integrating top-down visual expectations to form complete and stable perceptions is made explicit.
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Soramäki, Kimmo. Computational Models of Financial Networks, Risk, and Regulatory Policies. Edited by Shu-Heng Chen, Mak Kaboudan, and Ye-Rong Du. Oxford University Press, 2018. http://dx.doi.org/10.1093/oxfordhb/9780199844371.013.16.
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This chapter introduces the concept of financial networks and reviews research in three of the most active research areas of financial systems: interbank payment networks, interbank exposure networks, and asset correlation networks. The financial crisis of 2007-2008 revealed the intertwined nature of modern financial systems. A promising methodology for capturing and modeling connections in the financial system is provided by network theory. The intricate structure of linkages between financial institutions, among sectors of the economy, and across financial systems can conveniently be captured by using a network representation. Empirical research on describing existing networks is presented, as well as new modeling and simulation approaches for financial risk that take into account the complex structure of financial markets and infrastructures.
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Tretkoff, Paula. Introduction. Princeton University Press, 2017. http://dx.doi.org/10.23943/princeton/9780691144771.003.0001.
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This chapter explains that the book deals with quotients of the complex 2-ball yielding finite coverings of the projective plane branched along certain line arrangements. It gives a complete list of the known weighted line arrangements that can produce such ball quotients, and then provides a justification for the existence of the quotients. The Miyaoka-Yau inequality for surfaces of general type, and its analogue for surfaces with an orbifold structure, plays a central role. The book also examines the explicit computation of the proportionality deviation of a complex surface for finite covers of the complex projective plane ramified along certain line arrangements. Candidates for ball quotients among these finite covers arise by choosing weights on the line arrangements such that the proportionality deviation vanishes.
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Butz, Martin V., and Esther F. Kutter. Decision Making, Control, and Concept Formation. Oxford University Press, 2017. http://dx.doi.org/10.1093/acprof:oso/9780198739692.003.0012.
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While attention controls the internal, mental focus of attention, motor control directs the bodily control focus. Our nervous system is structured in a cascade of interactive control loops, where the primary self-stabilizing control loops can be found directly in the body’s morphology and the muscles themselves. The hierarchical structure enables flexible and selective motor control and the invocation of motor primitives and motor complexes. The learning of motor primitives and complexes again adheres to certain computational systematicities. Redundant behavioral alternatives are encoded in an abstract manner, enabling fast habitual decision making and slower, more elaborated planning processes for realizing context-dependent behavior adaptations. On a higher level, behavior can be segmented into events, during which a particular behavior unfolds, and event boundaries, which characterize the beginning or the end of a behavior. Combinations of events and event boundaries yield event schemata. Hierarchical combinations of event schemata on shorter and longer time scales yield event taxonomies. When developing event boundary detectors, our mind begins to develop environmental conceptualizations. Evidence is available that suggests that such event-oriented conceptualizations are inherently semantic and closely related to linguistic, generative models. Thus, by optimizing behavioral versatility and developing progressively more abstract codes of environmental interactions and manipulations, cognitive encodings develop, which are supporting symbol grounding and grammatical language development.
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Anderson, James A. After Digital. Oxford University Press, 2018. http://dx.doi.org/10.1093/acprof:oso/9780199357789.001.0001.
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We are surrounded by digital computers. They do many things well that humans do not and have transformed our lives. But all computers are not the same. Although digital computers dominate today’s world, alternative ways to “compute” might be better and more efficient than digital computation when mechanically performing those tasks, important to humans, that we think of as “cognition.” Cognition, after all, was originally developed to work with our own specific biological hardware. Digital computers require elaborate detailed instructions to work; they are flexible but not simple. Analog computers are designed to do specific tasks. They can be simple but not flexible. Hardware matters. The book discusses two classic kinds of computer, digital and analog, and gives examples of their history, functions, and limitations. The author suggest that when brain “hardware,” with its associated brain “software” work together, it could form a computer architecture that would be useful for the efficient performance of cognitive tasks. This book discusses the essentials of brain hardware—in particular, the cerebral cortex, where cognition lives—and how cortical structure can influence the form taken by the computational operations underlying cognition. Topics include association, understanding complex systems through analogy, formation of abstractions, and the biology of number and its use in arithmetic and mathematics. The author introduces novel “brain-like” control mechanisms: active associative search and traveling waves. There is discussion on computing across scales of organization from single neurons to brain regions containing millions of neurons.
Book chapters on the topic "Complete computational structure"
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Allender, Eric. "Investigations Concerning the Structure of Complete Sets." In Perspectives in Computational Complexity, 23–35. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-05446-9_2.
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Almeida, Nuno M. S., Russell G. McKinlay, and Martin J. Paterson. "Computation of Excited States of Transition Metal Complexes." In Structure and Bonding, 107–38. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/430_2014_151.
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Champneys, Alan R., and Björn Sandstede. "Numerical Computation of Coherent Structures." In Understanding Complex Systems, 331–58. Dordrecht: Springer Netherlands, 2007. http://dx.doi.org/10.1007/978-1-4020-6356-5_11.
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Wells, Jonathan N., L. Therese Bergendahl, and Joseph A. Marsh. "Computational Modelling of Protein Complex Structure and Assembly." In Protein Complex Assembly, 347–56. New York, NY: Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-7759-8_22.
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Pierce, Brian, and Zhiping Weng. "Structure Prediction of Protein Complexes." In Computational Methods for Protein Structure Prediction and Modeling, 109–34. New York, NY: Springer New York, 2007. http://dx.doi.org/10.1007/978-0-387-68825-1_4.
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Solov’yov, Ilia A., Andrey V. Korol, and Andrey V. Solov’yov. "Computational Modelling of MBN Systems." In Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer, 97–119. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-56087-8_3.
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Washietl, Stefan, and Tanja GesellGesell. "Graph Representations and Algorithms in Computational Biology of RNA Secondary Structure." In Structural Analysis of Complex Networks, 421–37. Boston: Birkhäuser Boston, 2010. http://dx.doi.org/10.1007/978-0-8176-4789-6_17.
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Janin, Joël, Jacqueline Cherfils, and Stéphane Duquerroy. "Principles of Protein — Protein Recognition in Protease-Inhibitor and Antigen-Antibody Complexes." In Computation of Biomolecular Structures, 103–14. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-77798-1_9.
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Lizier, Joseph T. "Coherent Information Structure in Complex Computation." In The Local Information Dynamics of Distributed Computation in Complex Systems, 163–75. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-32952-4_7.
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Han, Namshik, Hyunwoo Kim, and Kyungsook Han. "Computational Approach to Structural Analysis of Protein-RNA Complexes." In Lecture Notes in Computer Science, 140–50. Berlin, Heidelberg: Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/3-540-44863-2_15.
Full textConference papers on the topic "Complete computational structure"
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Tripathi, Astitva, and Anil K. Bajaj. "Computational Synthesis for Nonlinear Dynamics Based Design of Planar Resonant Structures." In ASME 2012 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/detc2012-71463.
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Nonlinear phenomena such as internal resonances have significant potential applications in Micro Electro Mechanical Systems (MEMS) for increasing the sensitivity of biological and chemical sensors and signal processing elements in circuits. While several theoretical systems are known which exhibit 1:2 or 1:3 internal resonances, designing systems that have the desired properties required for internal resonance as well as are physically realizable as MEMS devices is a significant challenge. Traditionally, the design process for obtaining resonant structures exhibiting an internal resonance has relied heavily on the designer’s prior knowledge and experience. However, with advances in computing power and topology optimization techniques, it should be possible to synthesize structures with the required nonlinear properties (such as having modal interactions) computationally. In this work, a preliminary method for computer based synthesis of structures consisting of beams for desired internal resonance is presented. The linear structural design is accompalished by a Finite Element Method (FEM) formulation implemented in Matlab to start with a base structure and iteratively modify it to obtain a structure with the desired properties. Possible design criteria are having the first two natural frequencies of the structure in some required ratio (such as 1:2 or 1:3). Once a topology of the structure is achieved that meets the desired criterion (i.e., the program converges to a definite structure), the linear mode shapes of the structure can be extracted from the finite element analysis, and a more complete Lagrangian formulation of the nonlinear elastic structure can be used to develop a nonlinear two-mode model of the structure. The reduced-order model is expected to capture the appropriate resonant dynamics associated with modal interactions between the two modes. The nonlinear response of the structure can be obtained by application of perturbation methods such as averaging on the two-mode model. Many candidate structures are synthesized that meet the desired modal frequency criterion and their nonlinear responses are compared.
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Strofylas, Giorgos A., Georgios I. Mazanakis, and Ioannis K. Nikolos. "Wind Turbine Blade Structure Parameterization Using T4T." In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-39674.
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A software tool named “T4T” (Tools for Turbomachinery) has been developed for the parametric design of turbomachinery and wind turbine blades. The complete design procedure is object-oriented and parametric, providing the ability to the user to define various types of blades. It has been developed in QT C++, utilizing OpenCascade graphical and computational libraries. The software allows the user to design the outer surface either by specifying some physical parameters for each blade section, or by directly interpolating a surface through a cloud of points. The new/enhanced version of “T4T” software tool, introducing the definition of internal blade structure for wind turbines rotors, is fully parametric and customizable, allowing the user for defining the internal blade structure, including shear webs. The computational procedure finally produces compound solids, which can be further imported to mesh generation and analysis software through standard geometry exchange protocols, for cooperation with CFD and CSD solvers.
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Naung, Shine Win, Mohammad Rahmati, and Hamed Farokhi. "Aeromechanical Analysis of a Complete Wind Turbine Using Nonlinear Frequency Domain Solution Method." In ASME Turbo Expo 2020: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/gt2020-15705.
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Abstract The high-fidelity computational fluid dynamics (CFD) simulations of a complete wind turbine model usually require significant computational resources. It will require much more resources if the fluid-structure interactions between the blade and the flow are considered, and it has been the major challenge in the industry. The aeromechanical analysis of a complete wind turbine model using a high-fidelity CFD method is discussed in this paper. The distinctiveness of this paper is the application of the nonlinear frequency domain solution method to analyse the forced response and flutter instability of the blade as well as to investigate the unsteady flow field across the wind turbine rotor and the tower. This method also enables the aeromechanical simulations of wind turbines for various inter blade phase angles in a combination with a phase shift solution method. Extensive validations of the nonlinear frequency domain solution method against the conventional time domain solution method reveal that the proposed frequency domain solution method can reduce the computational cost by one to two orders of magnitude.
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Ren, Hailin, Anil Kumar, Xinran Wang, and Pinhas Ben-Tzvi. "Parallel Deep Learning Ensembles for Human Pose Estimation." In ASME 2018 Dynamic Systems and Control Conference. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/dscc2018-9007.
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This paper presents an efficient method to detect human pose with monocular color imagery using a parallel architecture based on deep neural network. The network presented in this approach consists of two sequentially connected stages of 13 parallel CNN ensembles, where each ensemble is trained to detect one specific kind of linkage of the human skeleton structure. After detecting all skeleton linkages, a voting score-based post-processing algorithm assembles the individual linkages to form a complete human structure. This algorithm exploits human structural heuristics while assembling skeleton links and searches only for adjacent link pairs around the expected common joint area. The use of structural heuristics in the presented approach heavily simplifies the post-processing computations. Furthermore, the parallel architecture of the presented network enables mutually independent computing nodes to be efficiently deployed on parallel computing devices such as GPUs for computationally efficient training. The proposed network has been trained and tested on the COCO 2017 person-keypoints dataset and delivers pose estimation performance matching state-of-art networks. The parallel ensembles architecture improves its adaptability in applications aimed at identifying only specific body parts while saving computational resources.
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Spillman, Jr., William B. "Evolutionary computational techniques for complex adaptive structures." In Complex Adaptive Structures, edited by William B. Spillman, Jr. SPIE, 2001. http://dx.doi.org/10.1117/12.446763.
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Vik, Camilla Berge, Jo̸rgen Amdahl, and Ulf Danielsen. "Explosion Simulations/Structural Analysis With FLACS and USFOS." In ASME 2011 30th International Conference on Ocean, Offshore and Arctic Engineering. ASMEDC, 2011. http://dx.doi.org/10.1115/omae2011-49333.
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A structural analysis performed by Scandpower combining explosion simulations and structural analysis utilising the the computer tools USFOS and FLACS is described. As of today, the most common procedure for elastic and plastic explosion response analyses is to define the explosion load as a uniform pressure vs. time function for all surfaces and elements in the model. Capabilities of the computer tools FLACS and USFOS allow for a more refined approach, recognizing that for large geometries explosion pressure will vary in both time and spatial domain. USFOS (Ultimate Strength for Offshore Structures) (Ref. /1/) is a leading computer program for nonlinear static and dynamic analysis of space frame structures. The program accurately simulates the collapse process, from the initial yielding, through to the formation of a complete collapse mechanism and the final toppling of the structure. FLACS (FLame ACcellerator Simulator) (Ref. /2, 3/) is a computational fluid dynamics (CFD) tool for modeling of ventilation, gas dispersion and explosions in complex process areas. The FLACS code allows for monitoring pressures at user defined surface areas, which can be chosen to correspond with an USFOS model. Results from FLACS simulations may be defined as individual time/pressure load histories to different parts of a steel structure. This high resolution of the explosion loads was further utilized by combining the results with USFOS. The combination of FLACS and USFOS in a structural analysis has shown that there may be significant capacity reserves compared to a standard “equal area pressure” analysis when analyzing a structure for a spatially variable explosion load.
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Albarello, Nicolas, and Jean-Baptiste Welcomme. "Computational Design Synthesis: A Model-Based Approach for Complex Systems." In ASME 2012 11th Biennial Conference on Engineering Systems Design and Analysis. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/esda2012-82502.
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The design of systems architectures often involve a combinatorial design-space made of technological and architectural choices. A complete or large exploration of this design space requires the use of a method to generate and evaluate design alternatives. This paper proposes an innovative approach for the design-space exploration of systems architectures. The SAMOA (System Architecture Model-based OptimizAtion) tool associated to the method is also introduced. The method permits to create a large number of various system architectures combining a set of possible components to address given system functions. The method relies on models that are used to represent the problem and the solutions and to evaluate architecture performances. An algorithm first synthesizes design alternatives (a physical architecture associated to a functional allocation) based on the functional architecture of the system, the system interfaces, a library of available components and user-defined design rules. Chains of components are sequentially added to an initially empty architecture until all functions are fulfilled. The design rules permit to guarantee the viability and validity of the chains of components and, consequently, of the generated architectures. The design space exploration is then performed in a smart way through the use of an evolutionary algorithm, the evolution mechanisms of which are specific to system architecting. Evaluation modules permit to assess the performances of alternatives based on the structure of the architecture model and the data embedded in the component models. These performances are used to select the best generated architectures considering constraints and quality metrics. This selection is based on the Pareto-dominance-based NSGA-II algorithm or, alternatively, on an interactive preference-based algorithm. Iterating over this evolution-evaluation-selection process permits to increase the quality of solutions and, thus, to highlight the regions of interest of the design-space which can be used as a base for further manual investigations. By using this method, the system designers have a larger confidence in the optimality of the adopted architecture than using a classical derivative approach as many more solutions are evaluated. Also, the method permits to quickly evaluate the trade-offs between the different considered criteria. Finally, the method can also be used to evaluate the impact of a technology on the system performances not only by a substituting a technology by another but also by adapting the architecture of the system.
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YIU, Y., and E. WESTON. "Computation of complex modes in reduced vector subspaces." In 33rd Structures, Structural Dynamics and Materials Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1992. http://dx.doi.org/10.2514/6.1992-2515.
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Poudel, Laxmi, Wenchao Zhou, and Zhenghui Sha. "Computational Design of Scheduling Strategies for Multi-Robot Cooperative 3D Printing." In ASME 2019 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/detc2019-97640.
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Abstract Cooperative 3D printing (C3DP) is a novel approach to additive manufacturing, where multiple printhead-carrying mobile robots work together cooperatively to print a desired part. The core of C3DP is the chunk-based printing strategy in which the desired part is first split into smaller chunks, and then the chunks are assigned to individual printing robots. These robots will work on the chunks simultaneously and in a scheduled sequence until the entire part is complete. Though promising, C3DP lacks proper framework that enables automatic chunking and scheduling given the available number of robots. In this study, we develop a computational framework that can automatically generate print schedule for specified number of chunks. The framework contains 1) a random generator that creates random print schedule using adjacency matrix which represents directed dependency tree (DDT) structure of chunks; 2) a set of geometric constraints against which the randomly generated schedules will be checked for validation; and 3) a printing time evaluation metric for comparing the performance of all valid schedules. With the developed framework, we present a case study by printing a large rectangular plate which has dimensions beyond what traditional desktop printers can print. The study showcases that our computation framework can successfully generate a variety of scheduling strategies for collision-free C3DP without any human interventions.
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Lungu, Adrian. "Numerical Simulation of the Resistance and Self-Propulsion Model Tests." In ASME 2018 37th International Conference on Ocean, Offshore and Arctic Engineering. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/omae2018-77767.
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The paper proposes a series of numerical investigations performed to test and demonstrate the capabilities of a RANS solver in the area of complex ship flow simulations. Focus is on a complete numerical model for hull, propeller and rudder that can account for the mutual interaction between these components. The paper presents the results of a complex investigation of the flow computations around the hull model of the 3600 TEU MOERI containership (KCS hereafter). The resistance for the hull equipped with rudder, the POW computations as well as the self-propulsion simulation are presented. Comparisons with the experimental data provided at the Tokyo 2015 Workshop on CFD in Ship Hydrodynamics are given to validate the numerical approach in terms of the total and wave resistance coefficients, sinkage and trim, thrust and torque coefficients, propeller efficiency and local flow features. Verification and validation based on the grid convergence tests are performed for each computational case. Discussions on the efficiency of the turbulence models used in the computations as well as on the main flow features are provided aimed at clarifying the complex structure of the flow around the stern.
Reports on the topic "Complete computational structure"
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Patel, Reena, David Thompson, Guillermo Riveros, Wayne Hodo, John Peters, and Felipe Acosta. Dimensional analysis of structural response in complex biological structures. Engineer Research and Development Center (U.S.), July 2021. http://dx.doi.org/10.21079/11681/41082.
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The solution to many engineering problems is obtained through the combination of analytical, computational and experimental methods. In many cases, cost or size constraints limit testing of full-scale articles. Similitude allows observations made in the laboratory to be used to extrapolate the behavior to full-scale system by establishing relationships between the results obtained in a scaled experiment and those anticipated for the full-scale prototype. This paper describes the application of the Buckingham Pi theorem to develop a set of non-dimensional parameters that are appropriate for describing the problem of a distributed load applied to the rostrum of the paddlefish. This problem is of interest because previous research has demonstrated that the rostrum is a very efficient structural system. The ultimate goal is to estimate the response of a complex, bio-inspired structure based on the rostrum to blast load. The derived similitude laws are verified through a series of numerical experiments having a maximum error of 3.39%.
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Patel, Reena. Complex network analysis for early detection of failure mechanisms in resilient bio-structures. Engineer Research and Development Center (U.S.), June 2021. http://dx.doi.org/10.21079/11681/41042.
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Bio-structures owe their remarkable mechanical properties to their hierarchical geometrical arrangement as well as heterogeneous material properties. This dissertation presents an integrated, interdisciplinary approach that employs computational mechanics combined with flow network analysis to gain fundamental insights into the failure mechanisms of high performance, light-weight, structured composites by examining the stress flow patterns formed in the nascent stages of loading for the rostrum of the paddlefish. The data required for the flow network analysis was generated from the finite element analysis of the rostrum. The flow network was weighted based on the parameter of interest, which is stress in the current study. The changing kinematics of the structural system was provided as input to the algorithm that computes the minimum-cut of the flow network. The proposed approach was verified using two classical problems three- and four-point bending of a simply-supported concrete beam. The current study also addresses the methodology used to prepare data in an appropriate format for a seamless transition from finite element binary database files to the abstract mathematical domain needed for the network flow analysis. A robust, platform-independent procedure was developed that efficiently handles the large datasets produced by the finite element simulations. Results from computational mechanics using Abaqus and complex network analysis are presented.
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Riveros, Guillermo, Felipe Acosta, Reena Patel, and Wayne Hodo. Computational mechanics of the paddlefish rostrum. Engineer Research and Development Center (U.S.), September 2021. http://dx.doi.org/10.21079/11681/41860.
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Purpose – The rostrum of a paddlefish provides hydrodynamic stability during feeding process in addition to detect the food using receptors that are randomly distributed in the rostrum. The exterior tissue of the rostrum covers the cartilage that surrounds the bones forming interlocking star shaped bones. Design/methodology/approach – The aim of this work is to assess the mechanical behavior of four finite element models varying the type of formulation as follows: linear-reduced integration, linear-full integration, quadratic-reduced integration and quadratic-full integration. Also presented is the load transfer mechanisms of the bone structure of the rostrum. Findings – Conclusions are based on comparison among the four models. There is no significant difference between integration orders for similar type of elements. Quadratic-reduced integration formulation resulted in lower structural stiffness compared with linear formulation as seen by higher displacements and stresses than using linearly formulated elements. It is concluded that second-order elements with reduced integration and can model accurately stress concentrations and distributions without over stiffening their general response. Originality/value – The use of advanced computational mechanics techniques to analyze the complex geometry and components of the paddlefish rostrum provides a viable avenue to gain fundamental understanding of the proper finite element formulation needed to successfully obtain the system behavior and hot spot locations.