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A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and…

We use a physically-based crystal plasticity model to predict the yield strength of body-centered cubic (bcc) tungsten single crystals subjected to uniaxial loading. Our model captures the thermally-activated character of screw dislocation…

Materials Science · Physics 2015-12-22 David Cereceda , Martin Diehl , Franz Roters , Dierk Raabe , J. Manuel Perlado , Jaime Marian

Crystal plasticity models connect macroscopic deformation with the physics of microscale slip in polycrystalline materials. These models can be calibrated using global stress-strain curves, but the resulting parametrization is often not…

Materials Science · Physics 2026-03-24 Joshua D. Pribe , Patrick E. Leser , Saikumar R. Yeratapally , George Weber

This paper presents a two-step Bayesian framework for the estimation of the intrinsic single crystal elastic stiffness parameters from the measurements of spherical indentation stress-strain responses in multiple individual grains of a…

Computational Physics · Physics 2019-05-07 Andrew Castillo , Surya R. Kalidindi

Plastic deformations in body-centered-cubic (BCC) crystals have been of critical importance in diverse engineering and manufacturing contexts across length scales. Numerous experiments and atomistic simulations on BCC crystals reveal that…

Materials Science · Physics 2018-02-09 Hansohl Cho , Curt A. Bronkhorst , Hashem M. Mourad , Jason R. Mayeur , D. J. Luscher

Uncertainty quantification (UQ) plays a major role in verification and validation of computational engineering models and simulations, and establishes trust in the predictive capability of computational models. In the materials science and…

Materials Science · Physics 2022-06-14 Anh Tran , Tim Wildey , Hojun Lim

Bayesian methods have been very successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based model…

Data Analysis, Statistics and Probability · Physics 2015-02-06 Dave Higdon , Jordan D. McDonnell , Nicolas Schunck , Jason Sarich , Stefan M. Wild

A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…

Materials Science · Physics 2007-05-23 A. Carpio , L. L. Bonilla

Computational cardiovascular models are promising tools for clinical decision support, particularly in complex conditions, such as intraoperative hypotension (IOH). IOH arises from different mechanisms, making treatment selection…

Medical Physics · Physics 2025-09-19 Jan-Niklas Thiel , Marko Zlicar , Ulrich Steinseifer , Borut Kirn , Michael Neidlin

Calibration or parameter identification is used with computational mechanics models related to observed data of the modeled process to find model parameters such that good similarity between model prediction and observation is achieved. We…

Computational Engineering, Finance, and Science · Computer Science 2022-12-26 Harald Willmann , Jonas Nitzler , Sebastian Brandstaeter , Wolfgang A. Wall

Crystalline materials exhibit an hysteresis behaviour when deformed cyclically. The origins of this tension-compression asymmetry have been fully understood only recently as being caused by an asymmetry in the junction strength and a…

Materials Science · Physics 2023-01-03 Sylvain Queyreau

Most of crystalline materials exhibit a hysteresis on their deformation curve when mechanically loaded in alternating directions. This Bauschinger effect is the signature of mechanisms existing at the atomic scale and controlling the…

Materials Science · Physics 2021-01-01 Sylvain Queyreau , Benoit Devincre

Most of crystalline materials develop an hysteresis on their deformation curve when a mechanical loading is applied in alternating directions. This effect, also known as the Bauschinger effect, is intimately related to the reversibile part…

Materials Science · Physics 2022-01-03 Sylvain Queyreau , Benoit Devincre

Crystal dislocation dynamics, especially at high temperatures, represents a subject where experimental phenomenological input is commonly required, and parameter-free predictions, starting from quantum methods, have been beyond reach. This…

Renewable hydrogen storage in salt caverns requires fast injection and production rates to cope with the imbalance between energy production and consumption. Such operational conditions raise concerns about the mechanical stability of salt…

A general procedure to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase field crystal (PFC) models, is presented. It is found…

Materials Science · Physics 2018-05-09 Zi-Le Wang , Zhi-Feng Huang , Zhirong Liu

Reliable models of the thermodynamic properties of materials are critical for industrially relevant applications that require a good understanding of equilibrium phase diagrams, thermal and chemical transport, and microstructure evolution.…

Materials Science · Physics 2018-09-21 Noah H. Paulson , Elise Jennings , Marius Stan

Constitutive model discovery refers to the task of identifying an appropriate model structure, usually from a predefined model library, while simultaneously inferring its material parameters. The data used for model discovery are measured…

Machine Learning · Computer Science 2026-01-27 David Anton , Henning Wessels , Ulrich Römer , Alexander Henkes , Jorge-Humberto Urrea-Quintero

Plasticity in body-centred cubic (BCC) metals, including dislocation interactions at grain boundaries, is much less understood than in face-centred cubic (FCC) metals. At low temperatures additional resistance to dislocation motion due to…

Materials Science · Physics 2020-06-11 Martin Heller , James S. K. -L. Gibson , Risheng Pei , Sandra Korte-Kerzel

Collapse modes in compressed simple cubic (SC) and body-centered cubic (BCC) periodic arrangements of elastic frictionless beads were studied numerically using the discrete element method. Under pure hydrostatic compression, the SC…

Soft Condensed Matter · Physics 2020-09-23 Igor A. Ostanin , Artem R. Oganov , Vanessa Magnanimo
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