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Discovering relationships between materials' microstructures and mechanical properties is a key goal of materials science. Here, we outline a strategy exploiting Bayesian optimization to efficiently search the multidimensional space of…

Materials Science · Physics 2022-12-08 Mika Sarvilahti , Lasse Laurson

The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…

Materials Science · Physics 2017-07-19 K. C. Le , T. M. Tran , J. S. Langer

Crystalline materials deform in an intermittent way via dislocation-slip avalanches. Below a critical stress, the dislocations are jammed within their glide plane due to long-range elastic interactions and the material exhibits plastic…

Soft Condensed Matter · Physics 2015-05-20 Georgios Tsekenis , Nigel Goldenfeld , Karin A. Dahmen

During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…

Plastic deformation of metals involves the complex evolution of dislocations forming strongly connected dislocation networks. These dislocation networks are based on dislocation reactions, which can form junctions during the interactions of…

Materials Science · Physics 2022-08-22 Balduin Katzer , Kolja Zoller , Daniel Weygand , Katrin Schulz

Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…

Materials Science · Physics 2020-11-05 Jianqiao Hu , Hengxu Song , Zhanli Liu , Zhuo Zhuang , Xiaoming Liu , Stefan Sandfeld

We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal…

Statistical Mechanics · Physics 2009-10-30 M. L. Falk , J. S. Langer

We present computational evidence using MD simulations of a size effect for the critical resolved shear stress (CRSS) of edge dislocation motion in nickel superalloys. We model the superalloy as periodically spaced cubic $\gamma'$…

Materials Science · Physics 2025-07-16 Divyeshkumar A. Mistry , Amuthan A. Ramabathiran

The cross-slip process of a screw $<$a$>$ dislocation from the basal to the prismatic plane in magnesium was studied using the density functional theory and the molecular dynamics calculations. An atomistic method for calculating the total…

Materials Science · Physics 2015-06-12 M. Itakura , H. Kaburaki , M. Yamaguchi , T. Tsuru

We report two-dimensional discrete dislocation dynamics simulations of combined dislocation glide and climb leading to `power-law' creep in a model aluminum crystal. The approach fully accounts for matter transport due to vacancy diffusion…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 Shyam M. Keralavarma , Tahir Cagin , Tom Arsenlis , A. Amine Benzerga

The thermodynamic dislocation theory presented in preceding papers is used here to describe shear-banding instabilities. Central ingredients of the theory are a thermodynamically defined effective configurational temperature, and a formula…

Materials Science · Physics 2016-12-02 J. S. Langer

In the present work, we propose a novel model coupling phase-field, dislocation density based plasticity and damage. The dislocation density governing equations are constructed based on evolutions of mobile and immobile dislocations.…

Materials Science · Physics 2021-12-28 Ronghai Wu , Yufan Zhang

Dislocation climb mobilities, assuming vacancy bulk diffusion, are derived and implemented in dislocation dynamics simulations to study the coarsening of vacancy prismatic loops in fcc metals. When loops cannot glide, the comparison of the…

Materials Science · Physics 2011-06-29 Botond Bakó , Emmanuel Clouet , Laurent Dupuy , Marc Blétry

The interaction between Mg edge basal dislocations and rod-shaped $\beta_1'$-MgZn$_2$ precipitates was studied by atomistic simulations using a new interatomic potential. The atomistic model was carefully built taking into account the…

Materials Science · Physics 2020-05-21 G. Esteban-Manzanares , R. Alizadeh , I. Papadimitriou , D. Dickel , C. D. Barrett , J. LLorca

Dislocations are the primary carriers of plasticity in metallic material. Understanding the basic mechanisms for dislocation movement is paramount to predicting the material mechanical response. Relying on atomistic simulations, we observe…

A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic…

Materials Science · Physics 2017-02-01 Song-Lin Yao , Xiao-Yang Pei , Ji-Dong Yu , Jing-Song Bai , Qiang Wu

A clear understanding of the dynamic behavior of metals is critical for developing superior structural materials as well as for improving material processing techniques such as cold spray and shot peening. Using a high velocity (from 120…

Materials Science · Physics 2023-02-22 Jizhe Cai , Claire Griesbach , Savannah G. Ahnen , Ramathasan Thevamaran

Pinning of dislocations at nanosized obstacles like precipitates, voids and bubbles, is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often explored…

Materials Science · Physics 2014-10-22 A. Dutta , M. Bhattacharya , P. Barat

Understanding crack tip - dislocation interaction is critical for improving the fracture resistance of semi-brittle materials like room-temperature plastically deformable ceramics. Here, we use a modified double cleavage drilled compression…

Materials Science · Physics 2025-10-17 Oliver Preuß , Zhangtao Li , Enrico Bruder , Philippe Carrez , Yinan Cui , Jürgen Rödel , Xufei Fang

The classical motion of gliding dislocation lines in slip planes of crystalline solid helium leads to plastic deformation even at temperatures far below the Debye temperature and can affect elastic properties. In this work we argue that the…