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Equiatomic TaNbHfZr and TaNbHfZrTi high-entropy alloys (HEAs) have been investigated for their phase stability, short-range clustering (SRC) type chemical ordering, other structural phenomena and and the effects on strengthening. Ab-initio…

Materials Science · Physics 2016-01-25 Soumyadipta Maiti , Walter Steurer

Refractory high entropy alloys (R-HEAs) are having properties and uses as high strength and high hardness materials for ambient and high temperature, aerospace and nuclear radiation tolerance applications, orthopedic applications etc. The…

Materials Science · Physics 2020-10-23 Shashank Mishra , Soumyadipta Maiti , Beena Rai

In recent years, the behavior of dislocations in random solid solutions has received renewed interest, and several models have been discussed where random alloys are treated as effective media containing random distributions of dilatation…

Materials Science · Physics 2025-03-20 Ronghai Wu , Michael Zaiser

Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of $1/2<111>$ screw dislocations in binary tungsten-transition metal…

Materials Science · Physics 2015-04-10 G. D. Samolyuk , Y. N. Osetsky , R. E. Stoller

Severe lattice distortion is suggested for high entropy alloys (HEAs), however, evidence for such effect so far is lacking, and the nature of distortion is yet to be understood. Here, we reveal the distortion in an fcc HEA, Al0.1CrFeCoNi,…

Materials Science · Physics 2019-03-12 Yu-Tsun Shao , Renliang Yuan , Yang Hu , Qun Yang , Jian-Min Zuo

This work introduces a model for large-strain, geometrically nonlinear elasto-plastic dynamics in single crystals. The key feature of our model is that the plastic dynamics are entirely driven by the movement of dislocations, that is,…

Materials Science · Physics 2022-02-11 Thomas Hudson , Filip Rindler

Magnetic high entropy alloys (HEAs) are a new category of high-performance magnetic materials, with multi-component concentrated compositions and complex multi-phase structures. Although there have been numerous reports of their interesting…

Cohesive zone models provide an illuminating and tractable way to include constitutive nonlinearity into continuum models of defects. Powerful insights have been gained by studying both dislocations and cracks using such analyses. Recent…

Materials Science · Physics 2008-02-03 Ron Miller , Rob Phillips , Glenn Beltz , Michael Ortiz

Mesoscale objects with unusual structural features may serve as the analogues of atoms in the design of larger-scale materials with novel optical, electronic or mechanical behaviour. In this paper we investigate the structural features and…

Soft Condensed Matter · Physics 2007-05-23 Peter Lipowsky , Mark J. Bowick , Jan H. Meinke , David R. Nelson , Andreas R. Bausch

We study the relaxation times for a parabolic differential equation whose solution represents the atom dislocation in a crystal. The equation that we consider comprises the classical Peierls-Nabarro model as a particular case, and it allows…

Analysis of PDEs · Mathematics 2016-03-02 Stefania Patrizi , Enrico Valdinoci

Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip…

Materials Science · Physics 2009-11-07 Gang Lu , Qing Zhang , Nicholas Kioussis , Efthimios Kaxiras

Machine learning is becoming a powerful tool to predict temperature-dependent yield strengths (YS) of structural materials, particularly for multi-principal-element systems. However, successful machine-learning predictions depend on the use…

Materials Science · Physics 2022-07-13 Baldur Steingrimsson , Xuesong Fan , Rui Feng , Peter K. Liaw

High-entropy alloys (HEAs) combine compositional disorder with exceptional functional tunability, yet their inherently high-density limits use in lightweight systems. Here, we introduce entropy-architected nanowire metamaterials, a class of…

High entropy alloys (HEAs) are the new class of materials with an attractive combination of tunable mechanical and physicochemical properties. They crystallize mainly in cubic structures, however, for practical applications, HEAs with…

The plasticity transition at the yield strength of a crystal typically signifies the tendency of dislocation defects towards relatively unrestricted motion. For an isolated dislocation the motion is in the slip plane with velocity…

Materials Science · Physics 2020-01-15 Péter Dusán Ispánovity , Stefanos Papanikolaou , István Groma

This paper is concerned with a result of homogenization of an integro-differential equation describing dislocation dynamics. Our model involves both an anisotropic L\'{e}vy operator of order 1 and a potential depending periodically on…

Analysis of PDEs · Mathematics 2012-07-19 Régis Monneau , Stefania Patrizi

In this paper we study the connection between four models describing dislocation dynamics: a generalized 2D Frenkel-Kontorova model at the atomic level, the Peierls-Nabarro model, the discrete dislocation dynamics and a macroscopic model…

Analysis of PDEs · Mathematics 2015-05-13 A. El Hajj , H. Ibrahim , R. Monneau

Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of integrated chemistry, process, structure, and property data…

We introduce an interpretable deep learning framework that predicts the cohesive energy of transition-metal alloys (TMAs) by embedding cohesion theory within graph neural networks (GNNs). Beyond accurate prediction of cohesive energy, a key…

Materials Science · Physics 2025-09-11 Yang Huang , Shih-Han Wang , Shuyi Cao , Luke E. K. Achenie , Hongliang Xin

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