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Crystal plasticity models are a powerful tool for predicting the deformation behaviour of polycrystalline materials accounting for the underlying grain morphology and texture. These models typically have a large number of parameters, an…

Materials Science · Physics 2023-12-20 Hugh Dorward , David M. Knowles , Eralp Demir , Mahmoud Mostafavi , Matthew J. Peel

Crystal plasticity theory is often employed to predict the mesoscopic states of polycrystalline metals, and is well-known to be costly to simulate. Using a neural network with convolutional layers encoding correlations in time and space, we…

Computational Physics · Physics 2019-10-09 Ari Frankel , Kousuke Tachida , Reese Jones

A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…

Materials Science · Physics 2015-05-19 Liangzhe Zhang , Remi Dingreville , Timothy Bartel , Mark T. Lusk

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

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…

Disordered Systems and Neural Networks · Physics 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

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

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…

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…

Combined high-energy X-ray diffraction microscopy (HEDM) and crystal plasticity finite element (CPFE) modeling studies have emerged as a preferred paradigm to shed insight into the evolution of elasticity and plasticity at the intragrain…

Materials Science · Physics 2026-02-10 Jeremiah Lethoba , Romain Quey , Darren C. Pagan , Matthew Kasemer

Uncertainties in the high-dimensional space of material parameters pose challenges for the predictive modeling of bcc single crystals, especially under extreme loading conditions. In this work, we identify the key physical assumptions and…

Materials Science · Physics 2026-04-02 Seunghyeon Lee , Thao Nguyen , Darby J. Luscher , Saryu J. Fensin , John S. Carpenter , Hansohl Cho

Calibrating and verifying crystal plasticity material models is a significant challenge, particularly for materials with a number of potential slip and twin systems. Here we use digital image correlation on coarse-grained $\alpha$-uranium…

Materials Science · Physics 2020-11-24 Nicolò Grilli , Philip Earp , Alan C. F. Cocks , James Marrow , Edmund Tarleton

Computer model calibration is a crucial step in building a reliable computer model. In the face of massive physical observations, a fast estimation for the calibration parameters is urgently needed. To alleviate the computational burden, we…

Statistics Theory · Mathematics 2022-11-24 Shurui Lv , Yan Wang , Jun Yu

Crystal plasticity finite element method (CPFEM) has been an integrated computational materials engineering (ICME) workhorse to study materials behaviors and structure-property relationships for the last few decades. These relations are…

Numerical Analysis · Mathematics 2023-12-04 Anh Tran , Pieterjan Robbe , Theron Rodgers , Hojun Lim

Parameters in climate models are usually calibrated manually, exploiting only small subsets of the available data. This precludes both optimal calibration and quantification of uncertainties. Traditional Bayesian calibration methods that…

Statistics Theory · Mathematics 2021-10-04 Oliver R. A. Dunbar , Alfredo Garbuno-Inigo , Tapio Schneider , Andrew M. Stuart

Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…

Based on the atomistic studies presented in Part I we develop analytical yield criteria for single crystals that capture the effect of shear stresses other than the Schmid stress (non-glide stresses) on the shear stress needed for…

Materials Science · Physics 2008-07-18 R. Gröger , V. Racherla , J. L. Bassani , V. Vitek

A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a time explicit material point method (MPM) for the mechanical…

Materials Science · Physics 2010-09-03 Liangzhe Zhang , Timothy Bartel , Mark T. Lusk

Crystal plasticity (CP) modeling is a vital tool for predicting the mechanical behavior of materials, but its calibration involves numerous (>8) constitutive parameters, often requiring time-consuming trial-and-error methods. This paper…

Computational Engineering, Finance, and Science · Computer Science 2024-12-17 Ajay Kushwaha , Eralp Demir , Amrita Basak

The mechanical properties and long-term structural reliability of crystalline materials are strongly influenced by microstructural features such as grain size, morphology, and crystallographic texture. These characteristics not only…

Elastomeric mechanical metamaterials exhibit unconventional behaviour, emerging from their microstructures often deforming in a highly nonlinear and unstable manner. Such microstructural pattern transformations lead to non-local behaviour…

Soft Condensed Matter · Physics 2025-02-18 S. O. Sperling , T. Guo , R. H. J. Peerlings , V. G. Kouznetsova , M. G. D. Geers , O. Rokoš
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