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Relevant bibliographies by topics / Structure density

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Academic literature on the topic 'Structure density'

Author: Grafiati

Published: 4 June 2025

Last updated: 23 June 2025

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Journal articles on the topic "Structure density"

1

Phillips, Michael C. "High density lipoprotein structure." Frontiers in Bioscience 8, no. 4 (2003): d1044–1054. http://dx.doi.org/10.2741/1077.

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DiCarlo, D., R. E. Thorne, E. Sweetland, M. Sutton, and J. D. Brock. "Charge-density-wave structure inNbSe3." Physical Review B 50, no. 12 (1994): 8288–96. http://dx.doi.org/10.1103/physrevb.50.8288.

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Henderson, Thomas M., Carlos A. Jiménez-Hoyos, and Gustavo E. Scuseria. "Magnetic Structure of Density Matrices." Journal of Chemical Theory and Computation 14, no. 2 (2017): 649–59. http://dx.doi.org/10.1021/acs.jctc.7b01016.

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Percus, J. K. "The structure of density functionals." Journal of Physics: Condensed Matter 6, no. 23A (1994): A125—A130. http://dx.doi.org/10.1088/0953-8984/6/23a/015.

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Gonzalez Carmona, Juan Manuel, Alexander Ruden Muñoz, Christian Barbosa, Carolina Ortega Portilla, and Federico Sequeda Osorio. "Computational Study of Allotropic Structures of Carbon by Density Functional Theory (DTF)." Ingeniería y Ciencia 10, no. 19 (2014): 145–62. http://dx.doi.org/10.17230/ingciencia.10.19.7.

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In this paper using Density Functional Theory (DFT), the principal carbonallo tropic crystalline structures (Diamond, graphite, nanotube y fullerene-C60) were simulated. The results shows diamond sp3 bonds formation between carbon atomsand low reactivity, indicating low probability of lateral compound formation and high mechanical properties. Interplanar weakness was evidentin graphite structure, which is related to solid lubrication process. Carbon-Carbon metallic bonds and polarizations at the edges of the structure were observed in Armchair Carbon Nanotube, stabilizing the system which allows the nanotube continuous growth. In fullerene C60structureaFaraday nano-gauge behavior was confirmed, together withlowprobability of interatomic polarization, indicating high structural stability. Besides Total Energy (TE) and Nuclear Repulsion Energy (NRE) values were used to perform energetic comparisons between different structures, allowing the study of electronic stability and their relationship to mechanical properties.

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Sun, Yan, and René Fournier. "Density Functional Study of Beryllium Clusters." Computing Letters 1, no. 4 (2005): 210–19. http://dx.doi.org/10.1163/157404005776611448.

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Beryllium clusters Ben (n=2-20) were studied by Kohn-Sham theory with the local spin density approximation. We used a Tabu Search algorithm for structure optimization. The lowest energy structures fall into three distinct categories: compact structures typical of pairwise potentials for n=3–7; cage structures where all atoms have nearly equal coordinations for n=8–14; compact fragments of the hcp crystal at n =15–20. The electronic structure gradually evolves from van der Waals interactions (n =2,3) to metallic(n≥ 13). All clusters have singlet ground-states except n = 6 and n = 9 which are triplets. We also found low-lying excited triplet states at n=8 and 19 and a low-lying quintet state at n =7. In agreement with the jellium model, we find that clusters with n =4, 10, 17, and 20 atoms are especially stable and that the structures for n =4, 10, and 20 are quasi-spherical.

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Śledź, Paweł, Radosław Kamiński, Maksymilian Chruszcz, Matthew D. Zimmerman, Wladek Minor, and Krzysztof Woźniak. "An experimental charge density of HEPES." Acta Crystallographica Section B Structural Science 66, no. 4 (2010): 482–92. http://dx.doi.org/10.1107/s0108768110023025.

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We report the experimental charge density of HEPES [4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid], which is a common buffering agent. The structure was refined using the Hansen–Coppens formalism. The ability of the HEPES molecule to form stable intermolecular interactions and intermolecular hydrogen bonds in the crystal structure is discussed in terms of its buffering properties. The protonation mode observed in the crystal structure is different from that expected in solution, suggesting that additional factors must be taken into consideration in order to explain the solution properties of the compound. As ordered HEPES molecules are found in the active sites of proteins in several protein crystal structures, our results will allow for quantitative analysis of the electrostatic potential of the interacting surfaces of those proteins.

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Yao, Changhong, Meijiao Wang, and Lianzhen Cao. "Hydrogenated Planar Aluminum Clusters: A Density Functional Theory Study." Molecules 30, no. 6 (2025): 1389. https://doi.org/10.3390/molecules30061389.

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The low-lying energy structures of small planar aluminum clusters Aln (n = 3–6, 8–10), hydrogenated small planar aluminum clusters AlnHm (n = 3–8, m = 1–2) and the lowest-energy structure of AlnHm (n = 6–10, m = 0–2) are determined by density functional theory (DFT) calculations. Many stable planar structures have been found; some are consistent with the reported ones, and some are new configurations. The preservation of planar cluster structures has been observed during the dissociative adsorption of H2.Hydrogen is adsorbed at different positions on planar aluminum clusters. Dissociative adsorption configurations of the planar structure and lowest-energy structure experienced a decrease in hydrogen adsorption energy with an increase in cluster size. Among the clusters we calculated, Al4H1 and Al4H2 have the highest HOMO-LUMO gap, indicating that they may be more abundant than other clusters. The geometric structure and electronic properties of these clusters are also discussed.

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Lin, Yuxiang, Wentian Shi, Xiaohong Sun, et al. "Influence of Density Gradient on the Compression of Functionally Graded BCC Lattice Structure." Materials 16, no. 2 (2023): 520. http://dx.doi.org/10.3390/ma16020520.

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In this paper, five grading functional gradient lattice structures with a different density perpendicular to the loading direction were proposed, and the surface morphology, deformation behavior, and compression properties of the functional gradient lattice structures prepared by selective laser melting (SLM) with Ti-6Al-4V as the building material were investigated. The results show that the characteristics of the laser energy distribution of the SLM molding process make the spherical metal powder adhere to the surface of the lattice structure struts, resulting in the actual relative density of the lattice structure being higher than the designed theoretical relative density, but the maximum error does not exceed 3.33%. With the same relative density, all lattice structures with density gradients perpendicular to the loading direction have better mechanical properties than the uniform lattice structure, in particular, the elastic modulus of LF, the yield strength of LINEAR, and the first maximum compression strength of INDEX are 28.99%, 16.77%, and 14.46% higher than that of the UNIFORM. In addition, the energy absorption per unit volume of the INDEX and LINEAR is 38.38% and 48.29% higher, respectively, than that of the UNIFORM. Fracture morphology analysis shows that the fracture morphology of these lattice structures shows dimples and smooth planes, indicating that the lattice structure exhibits a mixed brittle and ductile failure mechanism under compressive loading. Finite element analysis results show that when the loading direction is perpendicular to the density gradient-forming direction, the higher density part of the lattice structure is the main bearing part, and the greater the density difference between the two ends of the lattice structure, the greater the elastic modulus.

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Yu Dong, Yu Dong, Guanglong Wang Guanglong Wang, Haiqiao Ni Haiqiao Ni, et al. "Short-wave infrared detector with double barrier structure and low dark current density." Chinese Optics Letters 14, no. 2 (2016): 022501–22505. http://dx.doi.org/10.3788/col201614.022501.

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Dissertations / Theses on the topic "Structure density"

1

Apraiz, Jose Manuel Redondo. "The structure of density interfaces." Thesis, University of Cambridge, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.317855.

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Sowers, Gerald Wayne. "Structure of high-density wall plasmas." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186244.

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Wall plasmas, plasmas in contact with a solid wall, are studied in two basic cases. The first is a linear theta-pinch. In this geometry the motion of the plasma along the field lines and the transfer of heat along the field lines is investigated using a transient hydrodynamic heat flow model and a steady state heat flow model. Good agreement is found with experimental results on the Scylla IV-P linear theta pinch. Results of the stationary model are used to estimate linear fusion reactor lengths. Results are that linear fusion reactors would be shorter for low atomic number (Z) end walls, but have higher linear power levels (power per unit length) for high Z end walls. The second case is a stationary solution of the structure of a plasma in contact with a diverter or limiter in a tokamak. This geometry is investigated to determine relationships between plasma density, temperature and the velocity of plasma flow toward the diverter. Solutions are found and sensitivities are presented.

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Dansik, Fevzi. "Force density method and configuration processing." Thesis, University of Surrey, 1999. http://epubs.surrey.ac.uk/812913/.

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May, Andrew James. "Density fitting in explicitly correlated electronic structure theory." Thesis, University of Bristol, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.432962.

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McConaha, Matthew. "Graded Lattice Structure Density Optimization for Additive Manufacturing." University of Cincinnati / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1523634949822303.

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Nagata, Koji. "TURBULENCE STRUCTURE AND TRANSPORT PHENOMENA IN DENSITY STRATIFICATION." Kyoto University, 2000. http://hdl.handle.net/2433/151546.

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Nigussa, Kenate Nemera. "Density Functional Theory Investigations of Surface Structure and Reactivity." Doctoral thesis, Norges teknisk-naturvitenskapelige universitet, Institutt for fysikk, 2011. http://urn.kb.se/resolve?urn=urn:nbn:no:ntnu:diva-14345.

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The Cr2O3(0001) surface is assumed to terminate by chromium atoms, chromyl groups, and oxygen atoms. This essentially models the industrial surface when subjected to different oxygen chemical potentials. The issue of high temperature surface states is also of particular importance concerning various effects such as corrosion. The investigation of the interaction of selected atomic adsorbates, paper I, has not only been important from a fundamental physics point of view, but also offered useful insight on applied subjects such as corrosion. Various diatomic molecules, paper II, are found to show different reactivities to the Cr2O3(0001) surface. The different terminations provide insight on the reactivity of the surface to the molecules under varying oxygen chemical potential as background environment. Various chemical complexes have been investigated, each having applications in chemical catalysis, including the growth of an H2O layer in a hexagonal 2D lattice and an array of Cl atoms in a honeycomb lattice. Poisoning of materials by sulfuric acid is among the daily problems worldwide, with significant loss of resources. A mechanistic design on how to avert the problem is at the heart of scientific activities. This study, paper III, investigates the interaction of molecular, intermediately decomposed, and fully decomposed states of H2S with the Cr2O3(0001) surface, allowing for the possibility of a varying oxygen chemical potential as background environment. Based on the difference in reactivity of the adsorbate species with the differently terminated surfaces, we have suggested that a higher oxygen chemical potential as background environment has a potential to be unreactive to the adsorbate species or at least minimize the surface poisoning. Titanium-nickelide is an important biomaterial with various applications in medical technology. However, it is still a matter of a continued research effort on how to establish the best biocompatible version of the material. Existence of nickel atoms at contact points of the biomaterial has been reported to hamper the quality of the biomaterial. As a consequence, several experimental activities have been carried out to remedy a surface treatment of the material, mostly by oxidation. This study, paper IV, characterizes the oxidation of various low indexes of the biomaterial surface. Based on this characterization, a conclusion is reached that doping the material with potassium atoms improves the performance quality of the biomaterial and a method of achieving the doping is suggested. The use of two or more DFT packages, with different basis sets, may be motivated for consistency verification of results obtained so as to make quality conclusions, or to take advantage of a reduced computational time. In this report, paper V, we have shown that the Dacapo DFT package and the BAND DFT package with very different basis sets, i.e., plane waves and atomic orbitals, respectively, can be used together in a single study by satisfying the above motivation points. We have reported that the pseudopotentials (frozen cores) used in the calculations play a crucial role for the outcome of calculations and computation time demand, and suggested a possible discrepancy in the magnitudes of energy differences. The alloy between rare earths and novel transition metals Pt and Pd is of renewed research interest. This is in part motivated by the desire to tailor some of the properties of these widely applied transition metals or the rare earths. To be able to have control over the quantitative changes in the properties, a clear establishment of the alloy structures is crucial. There have been considerable experimental research efforts carried out reporting the investigated alloy structures. However, a consistent conclusion has not been obtained. This study, paper VI, is based on the various experimentally predicted structures and systematically suggests the most stable structure.

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Louca, P. "From X-ray structure factors to electron-density distributions." Thesis, University of Bristol, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.374638.

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Van, Caillie Carole. "Electronic structure calculations using time-dependent density functional theory." Thesis, University of Cambridge, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621205.

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Augousti, A. T. "Density functional theories and the structure of fluids near walls." Thesis, University of Kent, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.353815.

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Books on the topic "Structure density"

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Lalazissis, Georgios A., Peter Ring, and Dario Vretenar, eds. Extended Density Functionals in Nuclear Structure Physics. Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/b95720.

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Sen, K. D. Statistical complexity: Applications in electronic structure. Springer, 2011.

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M, Klapötke Thomas, ed. High energy density materials. Springer Verlag, 2007.

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1916-, Lin C. C., ed. Spiral structure in galaxies: A density wave theory. MIT Press, 1996.

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5

Kontush, Anatol, and M. John Chapman. High-density lipoproteins: Structure, metabolism, function, and therapeutics. John Wiley & Sons, Inc., 2012.

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Petkov, I. Zh. Nuclear density functional theory. Clarendon Press, 1991.

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Moulik, Pritwiraj. Earth's Elastic and Density Structure from Diverse Seismological Observations. [publisher not identified], 2016.

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Goedecker, S. Low complexity algorithms for density functional electronic structure calculations. Cornell Theory Center, Cornell University, 1993.

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9

Vincenzo, Barone, Bencini Alessandro 1951-, and Fantucci Piercarlo, eds. Recent advances in density functional methods. World Scientific, 2002.

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1936-, Chong Delano P., ed. Recent advances in density functional methods. World Scientific, 1995.

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Book chapters on the topic "Structure density"

1

Avery, John, and Peter Sommer-Larsen. "Measured Electron Densities and Band Structure Calculations." In Density Matrices and Density Functionals. Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3855-7_38.

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Nalewajski, Roman F. "Density Functional Theory." In Perspectives in Electronic Structure Theory. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-20180-6_7.

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Kontush, Anatol, Mats Lindahl, Marie Lhomme, Laura Calabresi, M. John Chapman, and W. Sean Davidson. "Structure of HDL: Particle Subclasses and Molecular Components." In High Density Lipoproteins. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-09665-0_1.

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Riwanto, Meliana, Lucia Rohrer, Arnold von Eckardstein, and Ulf Landmesser. "Dysfunctional HDL: From Structure-Function-Relationships to Biomarkers." In High Density Lipoproteins. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-09665-0_10.

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Desch, H. E., and J. M. Dinwoodie. "Density of Wood." In Timber Structure, Properties, Conversion and Use. Macmillan Education UK, 1996. http://dx.doi.org/10.1007/978-1-349-13427-4_8.

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Buschow, K. H. J. "Structure and Stability of Amorphous Alloys." In High Density Digital Recording. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1636-7_14.

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Kohn, W. "Edge Electronic Structure: The Airy Gas." In Electronic Density Functional Theory. Springer US, 1998. http://dx.doi.org/10.1007/978-1-4899-0316-7_20.

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Skousen, Royal. "The Agreement Density for Continuous Rules." In Analogy and Structure. Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-015-8098-4_4.

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Jones, R. O. "Structure and spectroscopy of small atomic clusters." In Density Functional Theory III. Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/3-540-61132-0_3.

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Overgaard, Jacob, and Bo B. Iversen. "Charge Density Methods in Hydrogen Bond Studies." In Structure and Bonding. Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-30802-4_28.

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Conference papers on the topic "Structure density"

1

Xi, Kai, Peng Ling, and Peng Chen. "CNN Structure Optimization Based on MI-EEG Channel Information Density." In 2024 4th International Conference on Industrial Automation, Robotics and Control Engineering (IARCE). IEEE, 2024. https://doi.org/10.1109/iarce64300.2024.00042.

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Mateer, Mark W., and Kevin J. Kennelley. "Design of Platform Anode Retrofits Using Measured Structure Current Density." In CORROSION 1993. NACE International, 1993. https://doi.org/10.5006/c1993-93526.

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Abstract When designing anode retrofits for offshore structures with depleted sacrificial anode systems, the engineer usually relies on proven rules of thumb for predicting the current demand used in the design calculations. While this is a safe approach, especially in well understood areas such as the Gulf of Mexico, it often results in a very conservative, over-designed retrofit program. By using the modified Dwight's equation given in NACE RP-01-76, Appendix D, to calculate actual jacket current demand from anode potential surveys, it is possible to design a more optimum sacrificial anode retrofit. This method allows a considerable cost savings to be achieved while maintaining a significant safety factor in the design. We believe that in many cases the amount saved on the retrofit using this method can greatly exceed the cost of the jacket potential survey, especially for large structures.

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Lalazissis, G. A. "Density-dependent covariant energy density functionals." In NUCLEAR STRUCTURE AND DYNAMICS 2012. AIP, 2012. http://dx.doi.org/10.1063/1.4764244.

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Wang, Na, Jian Cai, Weikang Yang, and Xinyu Dou. "A PCB-based package structure." In High Density Packaging (ICEPT-HDP). IEEE, 2009. http://dx.doi.org/10.1109/icept.2009.5270786.

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Li, Jun, Xueping Guo, Jing Zhang, Liqiang Cao, and Lixi Wan. "A novel cooling structure for electronic package." In High Density Packaging (ICEPT-HDP). IEEE, 2011. http://dx.doi.org/10.1109/icept.2011.6066894.

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Wang, B., C. Lu, and R. Yang. "Optimal topology for maximum eigenvalue using density-dependent material model." In 37th Structure, Structural Dynamics and Materials Conference. American Institute of Aeronautics and Astronautics, 1996. http://dx.doi.org/10.2514/6.1996-1627.

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Yang, Jun, Mingfei Sun, Yuanrong Cheng, and Fei Xiao. "Study of benzocyclobutene-functionalized siloxane thermoset with a cyclic structure." In High Density Packaging (ICEPT-HDP). IEEE, 2011. http://dx.doi.org/10.1109/icept.2011.6066841.

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Chen, Qiang, Zhenqing Zhao, Hai Liu, Jonghyun Chae, Senyun Kim, and Myungkee Chung. "Investigation of various pad structure influence for copper wire bondability." In High Density Packaging (ICEPT-HDP). IEEE, 2011. http://dx.doi.org/10.1109/icept.2011.6066867.

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Ling, Sun, Yang Ling-ling, Sun Hai-yan, and Wang Shenglong. "Test structure designed for vias in multi-layer package substrate." In High Density Packaging (ICEPT-HDP). IEEE, 2011. http://dx.doi.org/10.1109/icept.2011.6066873.

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Wang, Qinghua, Huimin Xie, Jia Liu, Xue Feng, and Fulong Dai. "Instability and failure analysis of film-substrate structure under electrical loading." In High Density Packaging (ICEPT-HDP). IEEE, 2009. http://dx.doi.org/10.1109/icept.2009.5270578.

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Reports on the topic "Structure density"

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Desjarlais, Michael Paul, and Thomas Kjell Rene Mattsson. High energy-density water: density functional theory calculations of structure and electrical conductivity. Office of Scientific and Technical Information (OSTI), 2006. http://dx.doi.org/10.2172/902882.

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Barbee, T. W. Jr, G. W. Johnson, and D. W. O`Brien. High energy density capacitors using nano-structure multilayer technology. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/520934.

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Jackson, Gerald P. Explanation of persistent high frequency density structure in coalesced bunches. Office of Scientific and Technical Information (OSTI), 1988. http://dx.doi.org/10.2172/6909650.

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Pandey, L. N., D. Sahu, and Thomas F. George. Density of Electronic States in a Biased Resonant Tunneling Structure. Defense Technical Information Center, 1989. http://dx.doi.org/10.21236/ada215735.

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Baalrud, Scott. Final Report: Dynamic Structure of Magnetized High Energy Density Plasmas. Office of Scientific and Technical Information (OSTI), 2023. http://dx.doi.org/10.2172/2229031.

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Paulson, A. S., T. A. Delehanty, and N. J. Delaney. Some Robust Estimates of Covariance Structure Based on Parametric Density Estimation. Defense Technical Information Center, 1987. http://dx.doi.org/10.21236/ada178806.

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Gray, Matt J., Daniel Malagon,, and Davis Carter. Host density and habitat structure influence host contact rates and Batrachochytrium salamandrivorans transmission - Host density and habitat structure influence host contact rates and Batrachochytrium salamandrivorans transmission. University of Tennessee, Knoxville Libraries, 2018. http://dx.doi.org/10.7290/0v3l0h0.

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Sweeney, J. F., and D. A. Seemann. Crustal Density Structure of Queen Charlotte Islands and Hecate Strait, British Columbia. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 1991. http://dx.doi.org/10.4095/131964.

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Yao, Wenlong. Structure, ionic conductivity and mobile carrier density in fast ionic conducting chalcogenide glasses. Office of Scientific and Technical Information (OSTI), 2006. http://dx.doi.org/10.2172/897364.

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Gregori, G., S. H. Glenzer, F. J. Forest, et al. Investigation of the Electronic Structure of Solid Density Plasmas by X-Ray Scattering. Office of Scientific and Technical Information (OSTI), 2003. http://dx.doi.org/10.2172/15005133.

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