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Crystal plasticity finite element simulations are frequently employed to predict the plastic anisotropy of polycrystalline metals based on their crystallographic texture. In age-hardenable aluminium alloys, however, the texture-induced…

A continuum field theory approach is presented for modeling elastic and plastic deformation, free surfaces and multiple crystal orientations in non-equilibrium processing phenomena. Many basic properties of the model are calculated…

Soft Condensed Matter · Physics 2009-11-10 K. R. Elder , Martin Grant

A continuum density-field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but…

Materials Science · Physics 2018-05-28 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang

Synchrotron Laue microdiffraction and Digital Image Correlation measurements were coupled to track the elastic strain field (or stress field) and the total strain field near a general grain boundary in a bent bicrystal. A 316L stainless…

Accurate predictions of thermo-mechanically coupled process in metals can lead to a reduction of cost and an increase of productivity in manufacturing processes such as forming. For modeling these coupled processes with the finite element…

Materials Science · Physics 2019-05-30 Jifeng Li , Ignacio Romero , Javier Segurado

Phase transition problems on curved surfaces can lead to a panopticon of fascinating patterns. In this paper we consider finite element approximations of phase field models with a spatially inhomogeneous and anisotropic surface energy…

Numerical Analysis · Mathematics 2025-06-09 Harald Garcke , Robert Nürnberg

We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 David Rodney , Anne Tanguy , Damien Vandembroucq

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…

Materials Science · Physics 2020-06-24 Rajat Arora , Xiaohan Zhang , Amit Acharya

Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…

Materials Science · Physics 2025-10-01 Afonso D. M. Barroso , Elijah Borodin , Andrey P. Jivkov

In the present thesis, a computational framework for the analysis of the deformation and damage phenomena occurring at the micro-scale of polycrystalline materials is presented. Micro-mechanics studies are commonly performed using the…

Computational Engineering, Finance, and Science · Computer Science 2018-02-08 Vincenzo Gulizzi

Selective laser melting is receiving increasing interest as an additive manufacturing technique. Residual stresses induced by the large temperature gradients and inhomogeneous cooling process can favour the generation of cracks. In this…

Materials Science · Physics 2021-07-20 Nicolò Grilli , Daijun Hu , Dewen Yushu , Fan Chen , Wentao Yan

Hexagonal layered crystalline materials, such as graphene, boron nitride, tungsten sulfate, and so on, have attracted enormous attentions, due to their unique combination of atomistic structures and superior thermal, mechanical, and…

Materials Science · Physics 2014-06-20 Manrui Ren , Jeffernson Zhe Liu , Lifeng Wang , Quanshui Zheng

The plastic flow of a polycrystal is analyzed assuming grains as fine that the rate limiting process is grain boundary sliding, and grains readily accommodate their shapes by slip to preserve spatial continuity. It is shown that thinking of…

Materials Science · Physics 2009-11-19 Miguel Lagos , César Retamal

The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…

Materials Science · Physics 2018-05-23 Naoto Tsujimoto , Daiki Adachi , Ryosuke Akashi , Synge Todo , Shinji Tsuneyuki

Crystalline materials exhibit long-range elastic fields due to the presence of defects, leading to significant domain size effects in atomistic simulations. A rigorous far-field expansion of these long-range fields identifies low-rank…

Numerical Analysis · Mathematics 2024-04-02 Julian Braun , Christoph Ortner , Yangshuai Wang , Lei Zhang

This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…

Materials Science · Physics 2018-11-22 J. Segurado , R. A. Lebensohn , J. LLorca

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

The simulation of industrial processes involving cold compaction of powders allows for the optimization of the production of both traditional and advanced ceramics. The capabilities of a constitutive model previously proposed by the authors…

Materials Science · Physics 2014-04-30 S. Stupkiewicz , A. Piccolroaz , D. Bigoni

FEpX is a modeling framework for computing the elastoplastic deformations of polycrystalline solids. Using the framework, one can simulate the mechanical behavior of aggregates of crystals, referred to as virtual polycrystals, over large…

Materials Science · Physics 2015-04-14 Paul R. Dawson , Donald E. Boyce
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