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Related papers: Predicting the mechanical response of oligocrystal…

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We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

Computational Physics · Physics 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

A machine learning approach is presented to accelerate the computation of block polymer morphology evolution for large domains over long timescales. The strategy exploits the separation of characteristic times between coarse-grained…

Chemical Physics · Physics 2023-09-01 Hyun Park , Boyuan Yu , Juhae Park , Ge Sun , Emad Tajkhorshid , Juan J. de Pablo , Ludwig Schneider

Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…

Materials Science · Physics 2023-05-26 Maksim Zhdanov , Andrey Zhdanov

With the achievement on the additive manufacturing, the mechanical properties of architectured materials can be precisely designed by tailoring microstructures. As one of the primary design objectives, the elastic isotropy is of great…

Applied Physics · Physics 2021-04-15 Anran Wei , Jie Xiong , Weidong Yang , Fenglin Guo

Strength, ductility, and failure properties of metals are tailored by plastic deformation routes. Predicting these properties requires modeling of the structural dynamics and stress evolution taking place on several length scales. Progress…

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

As an extension to strain-gradient models of size-dependent plastic behaviour, this work proposes a model for a stress-gradient theory. The model is distinguished from earlier works on the topic by its being embedded in a thermodynamically…

Materials Science · Physics 2020-12-30 B. D. Reddy , P. Steinmann , A. Kergassner

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…

A systematic study of the sensitivities of simulation input on the computed stress distributions in two-phase microstructures is presented. The study supports a related investigation of the initiation and propagation of yielding in duplex…

Materials Science · Physics 2017-07-31 Andrew C. Poshadel , Michael Gharghouri , Paul R. Dawson

Randomly textured polycrystalline materials of constituents with highly anisotropic nature of grains can be considered globally isotropic. In order to determine the isotropic properties, like elasticity or conductivity, we propose a theory…

Materials Science · Physics 2018-12-07 Adam Takacs , Géza Tichy , Péter Dusán Ispánovity

X-ray diffraction is ideal for probing sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and…

Materials Science · Physics 2025-01-10 Rachel E. Lim , Shun-Li Shang , Chihpin Chuang , Thien Q. Phan , Zi-Kui Liu , Darren C. Pagan

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

Artificial Intelligence and Machine Learning algorithms have considerable potential to influence the prediction of material properties. Additive materials have a unique property prediction challenge in the form of surface roughness effects…

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

Multi-technique high resolution X-ray mapping enhanced by the recent advent of 4th generation synchrotron facilities can produce colossal datasets, challenging traditional analysis methods. Such difficulty is clearly materialized when…

Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…

Soft Condensed Matter · Physics 2020-11-21 P. M. Derlet , R. Maass

This paper focuses on the homogenization of high-contrast dielectric elastomer composites, materials that deform in response to electrical stimulation. The considered heterogeneous material consisting of an ambient material with inserted…

Analysis of PDEs · Mathematics 2024-12-17 Thuyen Dang , Yuliya Gorb , Silvia Jiménez Bolaños

The heterogeneous micromechanical properties of biological tissues have profound implications across diverse medical and engineering domains. However, identifying full-field heterogeneous elastic properties of soft materials using…

Numerical Analysis · Mathematics 2025-07-09 Wensi Wu , Mitchell Daneker , Kevin T. Turner , Matthew A. Jolley , Lu Lu

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