Academic literature on the topic 'Mechanistic Computational Model'

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Journal articles on the topic "Mechanistic Computational Model"

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Martina Perez, Simon, Heba Sailem, and Ruth E. Baker. "Efficient Bayesian inference for mechanistic modelling with high-throughput data." PLOS Computational Biology 18, no. 6 (2022): e1010191. http://dx.doi.org/10.1371/journal.pcbi.1010191.

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Bayesian methods are routinely used to combine experimental data with detailed mathematical models to obtain insights into physical phenomena. However, the computational cost of Bayesian computation with detailed models has been a notorious problem. Moreover, while high-throughput data presents opportunities to calibrate sophisticated models, comparing large amounts of data with model simulations quickly becomes computationally prohibitive. Inspired by the method of Stochastic Gradient Descent, we propose a minibatch approach to approximate Bayesian computation. Through a case study of a high-
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Hearle, J. W. S., and A. H. Wilkins. "Mechanistic modelling of pilling. Part II: Individual-fibre computational model." Journal of the Textile Institute 97, no. 4 (2006): 369–76. http://dx.doi.org/10.1533/joti.2005.0164.

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Zabihi, Azam, John Tello, Sebastien Incerti, et al. "Determination of fast neutron RBE using a fully mechanistic computational model." Applied Radiation and Isotopes 156 (February 2020): 108952. http://dx.doi.org/10.1016/j.apradiso.2019.108952.

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Das, Shubhajit, and Swapan K. Pati. "Unravelling the mechanism of tin-based frustrated Lewis pair catalysed hydrogenation of carbonyl compounds." Catalysis Science & Technology 8, no. 20 (2018): 5178–89. http://dx.doi.org/10.1039/c8cy01227j.

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Pham, Duy-Tan J., and Jean-Marie C. Bouteiller. "Experimentally Constrained Mechanistic and Data-Driven Models for Simulating NMDA Receptor Dynamics." Biomedicines 13, no. 7 (2025): 1674. https://doi.org/10.3390/biomedicines13071674.

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Background: The N-methyl-d-aspartate receptor (NMDA-R) is a glutamate ionotropic receptor in the brain that is crucial for synaptic plasticity, which underlies learning and memory formation. Dysfunction of NMDA receptors is implicated in various neurological diseases due to their roles in both normal cognition and excitotoxicity. However, their dynamics are challenging to capture accurately due to their high complexity and non-linear behavior. Methods: This article presents the elaboration and calibration of experimentally constrained computational models of GluN1/GluN2A NMDA-R dynamics: (1) a
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Kraikivski, Pavel. "A Dynamic Mechanistic Model of Perceptual Binding." Mathematics 10, no. 7 (2022): 1135. http://dx.doi.org/10.3390/math10071135.

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The brain’s ability to create a unified conscious representation of an object by integrating information from multiple perception pathways is called perceptual binding. Binding is crucial for normal cognitive function. Some perceptual binding errors and disorders have been linked to certain neurological conditions, brain lesions, and conditions that give rise to illusory conjunctions. However, the mechanism of perceptual binding remains elusive. Here, I present a computational model of binding using two sets of coupled oscillatory processes that are assumed to occur in response to two differen
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Zhao, Chen, Adam C. Mirando, Richard J. Sové, Thalyta X. Medeiros, Brian H. Annex, and Aleksander S. Popel. "A mechanistic integrative computational model of macrophage polarization: Implications in human pathophysiology." PLOS Computational Biology 15, no. 11 (2019): e1007468. http://dx.doi.org/10.1371/journal.pcbi.1007468.

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Soroka, Gustavo, Marco Idiart, and Aline Villavicencio. "Mechanistic role of alpha oscillations in a computational model of working memory." PLOS ONE 19, no. 2 (2024): e0296217. http://dx.doi.org/10.1371/journal.pone.0296217.

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Brain oscillations are believed to be involved in the different operations necessary to manipulate information during working memory tasks. We propose a mechanistic role for the observed inhibition effect of the alpha rhythm based on its interference with the theta rhythm. Using the Lisman-Idiart model for multi-item working memory, we show that the interaction between these two oscillations is capable of creating a long lasting destructive interference that prevents the cyclic reactivation of neuronal ensembles and, as a consequence, memory maintenance. Additionally, to ensure robustness we p
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Ramatsoma, Mafeni S., and Evans M. N. Chirwa. "Computational simulation of flocculent sedimentation based on experimental results." Water Science and Technology 65, no. 6 (2012): 1007–13. http://dx.doi.org/10.2166/wst.2012.923.

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Computerised interpolation algorithms as well as the empirical model for analysing the flocculent settling data were developed. A mechanistic semi-empirical model developed from fundamental physical principles of a falling particle in a viscous fluid was tested against actual flocculation column data. The accuracy of the mechanistic model was evaluated using the sum of the squared errors between the interpolated values (real values) and the model predictions. Its fitting capabilities were compared with Özer's model using nine flocculent data sets of which four were obtained from literature and
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Darmon, David. "Discrete Information Dynamics with Confidence via the Computational Mechanics Bootstrap: Confidence Sets and Significance Tests for Information-Dynamic Measures." Entropy 22, no. 7 (2020): 782. http://dx.doi.org/10.3390/e22070782.

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Information dynamics and computational mechanics provide a suite of measures for assessing the information- and computation-theoretic properties of complex systems in the absence of mechanistic models. However, both approaches lack a core set of inferential tools needed to make them more broadly useful for analyzing real-world systems, namely reliable methods for constructing confidence sets and hypothesis tests for their underlying measures. We develop the computational mechanics bootstrap, a bootstrap method for constructing confidence sets and significance tests for information-dynamic meas
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Dissertations / Theses on the topic "Mechanistic Computational Model"

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(8098121), Akshay Parag Biniwale. "Mechanistic Analysis of Sodiation in Electrodes." Thesis, 2019.

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<p>The single particle model was extended to include electrode and particle volume expansion effects observed in high capacity alloying electrodes. The model was used to predict voltage profiles in sodium ion batteries with tin and tin-phosphide negative electrodes. It was seen that the profiles predicted by the modified model were significantly better than the classical model. A parametric study was done to understand the impact of properties such as particle radius, diffusivity, reaction rate etc on the performance of the electrode. The model was also modified for incorporating particles hav
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Sutradhar, Sabyasachi. "Stochastic Simulation Quantifying Cell Mechanics and Division." Thesis, 2019. http://hdl.handle.net/10821/8272.

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This thesis is devoted to study the mechanical aspects of mitotic cell divisions in mammalian and yeast cells through computational modeling. The organization of the thesis is as follows: Chapter 1 of this thesis describes the literature review of the mitotic process. A brief introduction to mammalian and yeast systems are presented and their exotic features are discussed. In chapter 2 we study the chromosomal oscillation during the prometaphase and metaphase in mitosis of a mammalian cell.We present a robust computational model that incorporates stochastic dynamics of various molecular motors
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Yeh, Chung-Heng. "Mechanistic Models of Neural Computation in the Fruit Fly Brain." Thesis, 2019. https://doi.org/10.7916/d8-fp7c-a661.

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Understanding the operating principles of the brain functions is the key to building novel computing architectures for mimicking human intelligence. Neural activities at different scales lead to different levels of brain functions. For example, cellular functions, such as sensory transduction, occur in the molecular reactions, and cognitive functions, such as recognition, emerge in neural systems across multiple brain regions. To bridge the gap between neuroscience and artificial computation, we need systematic development of mechanistic models for neural computation across multiple scales. Ex
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Books on the topic "Mechanistic Computational Model"

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Yeh, Chung-Heng. Mechanistic Models of Neural Computation in the Fruit Fly Brain. [publisher not identified], 2019.

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Narancic, Sanja. Mechanistic studies of organometallic complexes: Part I : Development of a new model for ligand binding energy determinations : Computational study of the conversion of rhenium diolates to metallaoxetanes and carbenes. 2007.

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Piccinini, Gualtiero. Computationalism. Edited by Eric Margolis, Richard Samuels, and Stephen P. Stich. Oxford University Press, 2012. http://dx.doi.org/10.1093/oxfordhb/9780195309799.013.0010.

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The introduction of the concept of computation in cognitive science is discussed in this article. Computationalism is usually introduced as an empirical hypothesis that can be disconfirmed. Processing information is surely an important aspect of cognition so if computation is information processing, then cognition involves computation. Computationalism becomes more significant when it has explanatory power. The most relevant and explanatory notion of computation is that associated with digital computers. Turing analyzed computation in terms of what are now called Turing machines that are the k
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Al-Safran, Eissa M., and James P. Brill. Applied Multiphase Flow in Pipes and Flow Assurance: Oil and Gas Production. Society of Petroleum Engineers, 2017. http://dx.doi.org/10.2118/9781613994924.

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Applied Multiphase Flow in Pipes and Flow Assurance - Oil and Gas Production delivers the most recent advancements in multiphase flow technology while remaining easy to read and appropriate for undergraduate and graduate petroleum engineering students. Responding to the need for a more up-to-the-minute resource, this highly anticipated new book represents applications on the fundamentals with new material on heat transfer in production systems, flow assurance, transient multiphase flow in pipes and the TUFFP unified model. The complex computation procedure of mechanistic models is simplified t
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Book chapters on the topic "Mechanistic Computational Model"

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Brito, Adriana, Nelson MacQuhae, Francisco García, Nelson Fernández, and José Colmenares. "Mechanistic Model for Eccentric Annular Gas-Liquid Flow in Horizontal Pipelines." In Computational and Experimental Fluid Mechanics with Applications to Physics, Engineering and the Environment. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-00191-3_29.

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Antonietti, Alberto, Claudia Casellato, Egidio D’Angelo, and Alessandra Pedrocchi. "Computational Modelling of Cerebellar Magnetic Stimulation: The Effect of Washout." In Lecture Notes in Computer Science. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-82427-3_3.

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AbstractNowadays, clinicians have multiple tools that they can use to stimulate the brain, by means of electric or magnetic fields that can interfere with the bio-electrical behaviour of neurons. However, it is still unclear which are the neural mechanisms that are involved and how the external stimulation changes the neural responses at network-level. In this paper, we have exploited the simulations carried out using a spiking neural network model, which reconstructed the cerebellar system, to shed light on the underlying mechanisms of cerebellar Transcranial Magnetic Stimulation affecting sp
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Goldsmith, Michael R., Shane D. Peterson, Daniel T. Chang, et al. "Informing Mechanistic Toxicology with Computational Molecular Models." In Methods in Molecular Biology. Humana Press, 2012. http://dx.doi.org/10.1007/978-1-62703-050-2_7.

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Sbalzarini, Ivo F., and Urs F. Greber. "How Computational Models Enable Mechanistic Insights into Virus Infection." In Methods in Molecular Biology. Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-8678-1_30.

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Lecca, Paola, and Michela Lecca. "Mechanistic Models of Astrocytic Glucose Metabolism Calibrated on PET Images." In Lecture Notes in Computational Vision and Biomechanics. Springer Netherlands, 2013. http://dx.doi.org/10.1007/978-94-007-5890-2_6.

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Axenie, Cristian, and Daria Kurz. "CHIMERA: Combining Mechanistic Models and Machine Learning for Personalized Chemotherapy and Surgery Sequencing in Breast Cancer." In Mathematical and Computational Oncology. Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-64511-3_2.

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Lewis, Joanna, and Joseph F. Standing. "Mechanistic Models of CD4 T Cell Homeostasis and Reconstitution in Health and Disease." In Mathematical, Computational and Experimental T Cell Immunology. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-57204-4_4.

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Azhar, Nabil, Qi Mi, Cordelia Ziraldo, Marius Buliga, Gregory M. Constantine, and Yoram Vodovotz. "Integrating Data-Driven and Mechanistic Models of the Inflammatory Response in Sepsis and Trauma." In Complex Systems and Computational Biology Approaches to Acute Inflammation. Springer New York, 2013. http://dx.doi.org/10.1007/978-1-4614-8008-2_8.

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Vodovotz, Yoram. "Integrating Data-Driven and Mechanistic Models of the Inflammatory Response in Sepsis and Trauma." In Complex Systems and Computational Biology Approaches to Acute Inflammation. Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-56510-7_4.

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Ogbomo-Harmitt, Shaheim, George Obada, Nele Vandersickel, Andrew P. King, and Oleg Aslanidi. "Effects of Fibrotic Border Zone on Drivers for Atrial Fibrillation: An In-Silico Mechanistic Investigation." In Statistical Atlases and Computational Models of the Heart. Regular and CMRxRecon Challenge Papers. Springer Nature Switzerland, 2024. http://dx.doi.org/10.1007/978-3-031-52448-6_17.

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Conference papers on the topic "Mechanistic Computational Model"

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Yu, Lei, Meng Cao, Jackie CK Cheung, and Yue Dong. "Mechanistic Understanding and Mitigation of Language Model Non-Factual Hallucinations." In Findings of the Association for Computational Linguistics: EMNLP 2024. Association for Computational Linguistics, 2024. http://dx.doi.org/10.18653/v1/2024.findings-emnlp.466.

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Zhang, Lin, Lijie Hu, and Di Wang. "Mechanistic Unveiling of Transformer Circuits: Self-Influence as a Key to Model Reasoning." In Findings of the Association for Computational Linguistics: NAACL 2025. Association for Computational Linguistics, 2025. https://doi.org/10.18653/v1/2025.findings-naacl.76.

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Dayalan, E., F. D. de Moraes, J. R. Shadley, S. A. Shirazi, and E. F. Rybicki. "CO2 Corrosion Prediction in Pipe Flow under FeCO3 Scale-Forming Conditions." In CORROSION 1998. NACE International, 1998. https://doi.org/10.5006/c1998-98051.

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Abstract A comprehensive computational procedure and a computer program for predicting corrosion rates of carbon steel pipes by CO2 containing flowing fluids in oil and gas field conditions has been developed. The computational procedure is based on a mechanistic model for CO2 corrosion and is developed starting from basic principles. The model takes into account the current understanding of the CO2 corrosion mechanism and the kinetics of electrochemical reactions, chemical equilibrium reactions, and mass transfer. The prediction procedure was developed initially for predicting uniform CO2 cor
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Jones, Michael, Gregory de Boer, Richard Woollam, et al. "Advancement of a Comprehensive Mechanistic CO2 Corrosion Model to Incorporate Simulated Hydrodynamics via a Turbulent Flow Model." In CONFERENCE 2024. AMPP, 2024. https://doi.org/10.5006/c2024-20657.

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Abstract In this work, a novel approach is introduced to derive functions for hydrodynamic parameters within mechanistic CO2 corrosion models using computational fluid dynamics (CFD) as a means of enhancing corrosion prediction models for complex geometries. A turbulent flow model is generated using CFD to predict the hydrodynamic boundary conditions in the near wall region. Utilizing dimensionless velocity and distance parameters, the height of the boundary layer is extracted, and an interpolation function is used to describe the change in the turbulent diffusivity between the corroding surfa
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Zhang, Yongli, Brenton S. McLaury, Siamack A. Shirazi, and Edmund F. Rybicki. "Predicting Sand Erosion in Slug Flows Using a Two-Dimensional Mechanistic Model." In CORROSION 2011. NACE International, 2011. https://doi.org/10.5006/c2011-11243.

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Abstract In the oil and gas industry, slug flow is commonly encountered and one of the most erosive flow regimes when sand is entrained. The design of oil and gas production equipment requires a reliable erosion prediction tool. Chen et al.1 proposed an approach for estimating erosion rate in slug flows. It is a combination of mechanistic analysis and computational fluid dynamics (CFD). Shirazi et al.2 and McLaury et al.3 presented a method based on some one-dimensional mechanistic models (hence called 1-D method) to predict erosion rate. This method is successful in predicting erosion caused
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Darihaki, Farzin, Ronald E. Vieira, and Siamack A. Shirazi. "Evaluation of Mechanistic Models and Correlations for Predicting Solid Particle-Induced Erosion under Various Flow Regimes." In CONFERENCE 2023. AMPP, 2023. https://doi.org/10.5006/c2023-19084.

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Abstract Erosion prediction models are important tools for preventing costly failures that can happen due to solid particle erosion. Various models such as computational models, mechanistic models and correlations, and machine learning approaches have been developed and utilized by researchers for predicting the erosion rate. The mentioned models have been developed under certain conditions, therefore, there are limitations on the application of each model. In the present study, mechanistic models, a two-dimensional CFD-based model developed by the Erosion/Corrosion Research Center are compare
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Parbat, Shreyas, Isabell Viedt, and Leon Urbas. "A Comparative Evaluation of Complexity in Mechanistic and Surrogate Modeling Approaches for Digital Twins." In The 35th European Symposium on Computer Aided Process Engineering. PSE Press, 2025. https://doi.org/10.69997/sct.122855.

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A Digital Twin (DT) is a purposeful digital representation of a physical entity that employs data, algorithms, and software to enhance operations, making it possible to e.g., forecast failures, or evaluate new designs through the simulation of real-world scenarios. DTs are enablers for real-time monitoring, simulation, and optimization. However, traditional simulation DTs often rely on complex, non-linear mechanistic models with high computational demands, complex structures, and a large number of specific parameters and thus pose quite a challenge to maintainability. Surrogate models, on the
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Mosqueda-Huerta, Zaira Jelena, Oscar Daniel Lara-Monta�o, Fernando Israel G�mez-Castro, and Manuel Toledano-Ayala. "Optimal Design of Process Equipment Through Hybrid Mechanistic-ANN Models: Effect of Hybridization." In The 35th European Symposium on Computer Aided Process Engineering. PSE Press, 2025. https://doi.org/10.69997/sct.134500.

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Artificial neural networks (ANNs) have gained popularity in the last years as tools to develop data-driven models of chemical process units. However, representing a system only with such artificial intelligence models may lead to a loss in the comprehension of the occurring phenomena. Hybrid models allow combining the predictive capabilities of ANNs with the foundational knowledge of rigorous models. This study explores the impact of hybridization in designing and optimizing shell-and-tube heat exchangers, comparing a full ANN-based model with a hybrid model. The hybrid model incorporates ANN
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Zhu, Zhenjin, Nima Tajallipour, Patrick J. Teevens, Huibin Xue, and Frank Y. F. Cheng. "A Mechanistic Model for Predicting Localized Pitting Corrosion in a Brine Water-CO2 System." In CORROSION 2011. NACE International, 2011. https://doi.org/10.5006/c2011-11256.

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Abstract This paper proposes a Finite-Element-Analysis-based mechanistic model to predict internal localized pitting corrosion rates of petroleum pipelines in sweet (CO2) production environments. In this model, the computational domain consisted of a hemispherical pit and a thin boundary layer of an electrolyte solution. The mesh was generated using quadratic triangular elements in the Cartesian coordinate system whereas a moving mesh method was utilized to track the dynamic pitting propagation. The flux rate of each participating chemical ionic species was computed by solving the Nernst-Planc
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Jones, Michael, Gregory de Boer, Richard Woollam, Joshua Owen, and Richard Barker. "Numerical Exploration of a Comprehensive Mechanistic CO2 Corrosion Model Part I: Influence of Temperature, Pressure and Bulk pH." In CONFERENCE 2023. AMPP, 2023. https://doi.org/10.5006/c2023-19304.

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Abstract In part one of this two-part series, we introduce a comprehensive mechanistic model for predicting CO2 corrosion rates and chemical speciation throughout the boundary layer, developed using multiphysics software. Parametric studies are conducted to interrogate the model over an extensive range of temperatures, partial pressures, and bulk pH values. Contour plots are produced showing the variation in key outputs, including corrosion rate, surface pH, and surface saturation ratio with respect to iron carbonate (FeCO3). The results display significant variation between the bulk and surfa
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Reports on the topic "Mechanistic Computational Model"

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Ramakrishnan, Aravind, Fangyu Liu, Angeli Jayme, and Imad Al-Qadi. Prediction of Pavement Damage under Truck Platoons Utilizing a Combined Finite Element and Artificial Intelligence Model. Illinois Center for Transportation, 2024. https://doi.org/10.36501/0197-9191/24-030.

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For robust pavement design, accurate damage computation is essential, especially for loading scenarios such as truck platoons. Studies have developed a framework to compute pavement distresses as function of lateral position, spacing, and market-penetration level of truck platoons. The established framework uses a robust 3D pavement model, along with the AASHTOWare Mechanistic–Empirical Pavement Design Guidelines (MEPDG) transfer functions to compute pavement distresses. However, transfer functions include high variability and lack physical significance. Therefore, as an improvement to effecti
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COLD FORMED STEEL SHEAR WALL RACKING ANALYSIS THROUGH A MECHANISTIC APPROACH: CFS-RAMA. The Hong Kong Institute of Steel Construction, 2022. http://dx.doi.org/10.18057/ijasc.2022.18.3.2.

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Cold-formed steel shear wall panels are an effective lateral load resisting system in cold-formed steel or light gauge constructions. The behavior of these panels is governed by the interaction of the sheathing - frame fasteners and the sheathing itself. Therefore, analysis of these panels for an applied lateral load (monotonic/cyclic) is complex due to the inherent non-linearity that exists in the fastener-sheathing interaction. This paper presents a novel and efficient, fastener based mechanistic approach that can reliably predict the response of cold-formed steel wall panels for an applied
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