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We investigate the formation of stress hotspots in polycrystalline materials under uniaxial tensile deformation by integrating full field crystal plasticity based deformation models and machine learning techniques to gain data driven…

Materials Science · Physics 2018-06-15 Ankita Mangal , Elizabeth A. Holm

The first step in constructing a machine learning model is defining the features of the data set that can be used for optimal learning. In this work we discuss feature selection methods, which can be used to build better models, as well as…

Machine Learning · Statistics 2018-06-19 Ankita Mangal , Elizabeth A. Holm

This work presents a machine learning approach to predict peak-stress clusters in heterogeneous polycrystalline materials. Prior work on using machine learning in the context of mechanics has largely focused on predicting the effective…

Analysis of PDEs · Mathematics 2024-05-10 Ankit Shrivastava , Jingxiao Liu , Kaushik Dayal , Hae Young Noh

The mechanical properties of a material are intimately related to its microstructure. This is particularly important for predicting mechanical behavior of polycrystalline metals, where microstructural variations dictate the expected…

Materials Science · Physics 2024-01-23 Yejun Gu , Christopher D. Stiles , Jaafar A. El-Awady

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

High-pressure crystal structure prediction (CSP) underpins advances in condensed matter physics, planetary science, and materials discovery. Yet, most large atomistic models are trained on near-ambient, equilibrium data, leading to degraded…

Materials Science · Physics 2025-09-15 Yinan Wang , Xiaoyang Wang , Zhenyu Wang , Jing Wu , Jian Lv , Han Wang

In this work we employ data-driven homogenization approaches to predict the particular mechanical evolution of polycrystalline aggregates with tens of individual crystals. In these oligocrystals the differences in stress response due to…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Ari L. Frankel , Reese E. Jones , Coleman Alleman , Jeremy A. Templeton

Numerous crystal- and microstructural-level mechanisms are at play in the formation of hotspots, which are known to govern high explosive initiation behavior. Most of these mechanisms, including pore collapse, interfacial friction, and…

Accurate prediction of fracture toughness under complex loading conditions, like mixed mode I/II, is essential for reliable failure assessment. This paper aims to develop a machine learning framework for predicting fracture toughness and…

Computational Physics · Physics 2025-03-04 Amir Mohammad Mirzaei

We study a one-dimensional model of a dislocation pileup driven by an external stress and interacting with random quenched disorder, focusing on predictability of the plastic deformation process. Upon quasistatically ramping up the…

Materials Science · Physics 2020-12-21 Mika Sarvilahti , Audun Skaugen , Lasse Laurson

Predicting the behaviour of complex systems is one of the main goals of science. An important example is plastic deformation of micron-scale crystals, a process mediated by collective dynamics of dislocations, manifested as broadly…

Materials Science · Physics 2022-06-03 Marcin Mińkowski , David Kurunczi-Papp , Lasse Laurson

A two dimensional amorphous material is modeled as an assembly of mesoscopic elemental pieces coupled together to form an elastically coherent structure. Plasticity is introduced as the existence of different minima in the energy landscape…

Materials Science · Physics 2007-07-05 E. A. Jagla

The influence of the microstructure of a polycrystalline material on its macroscopic deformation response is still one of the major problems in materials engineering. For materials characterized by elastic-plastic deformation responses,…

Materials Science · Physics 2022-02-07 Jan N. Fuhg , Lloyd van Wees , Mark Obstalecki , Paul Shade , Nikolaos Bouklas , Matthew Kasemer

Deformation of crystalline materials is an interesting example of complex system behaviour. Small samples typically exhibit a stochastic-like, irregular response to externally applied stresses, manifested as significant sample-to-sample…

Computational Physics · Physics 2023-08-30 Marcin Mińkowski , Lasse Laurson

A simple micromechanical model of polycrystalline materials is proposed, which enables us to swiftly produce grain-boundary-stress distributions induced by the uniform external loading (in the elastic strain regime). Such statistical…

Materials Science · Physics 2024-05-24 Timon Mede , Samir El Shawish

Random point configurations are said to be in hyperuniform states, if density fluctuations are anomalously suppressed in large-scale. Typical examples are found in Coulomb gas systems in two dimensions especially called log-gases in random…

Statistical Mechanics · Physics 2025-05-27 Ayana Ezoe , Makoto Katori , Tomoyuki Shirai

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

Refractory multi-principal element alloys (RMPEAs) have attracted growing interest for their exceptional high-temperature strength, yet their complex compositions hinder a mechanistic understanding of plastic deformation. Here, we perform…

Stress analysis is an important part of material design. For materials with complex microstructures, such as two-phase random materials (TRMs), material failure is often accompanied by stress concentration. Phase interfaces in two-phase…

Materials Science · Physics 2026-03-17 Tengfei Xing , Xiaodan Ren , Jie Li

Noncentrosymmetric materials play a critical role in many important applications such as laser technology, communication systems,quantum computing, cybersecurity, and etc. However, the experimental discovery of new noncentrosymmetric…

Computational Physics · Physics 2020-06-30 Yuqi Song , Joseph Lindsay , Yong Zhao , Alireza Nasiri , Steph-Yves Louis , Jie Ling , Ming Hu , Jianjun Hu
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