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Predicting the strength of materials requires considering various length and time scales, striking a balance between accuracy and efficiency. Peierls stress measures material strength by evaluating dislocation resistance to plastic flow,…

Materials Science · Physics 2025-01-28 Yingjie Zhao , Hongbo Zhou , Zian Zhang , Zhenxing Bo , Baoan Sun , Minqiang Jiang , Zhiping Xu

The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…

Pattern Formation and Solitons · Physics 2007-05-23 B. V. Petukhov

High Entropy Alloys (HEAs) contain near equimolar amounts of five or more elements and are a compelling space for materials design. Great emphasis is placed on identifying HEAs that form a homogeneous solid-solution, but the design of such…

Materials Science · Physics 2021-04-20 Daniel Evans , Jiadong Chen , Geoffroy Hautier , Wenhao Sun

High entropy alloys (HEAs) are multicomponent compounds whose high configurational entropy allows them to solidify into a single phase, with a simple crystal lattice structure. Some HEA's exhibit desirable properties, such as high specific…

Materials Science · Physics 2017-06-29 Rui Feng , Peter K. Liaw , Michael C. Gao , Michael Widom

High Entropy Alloys (HEAs) are designed by mixing multiple metallic species in nearly the same amount to obtain crystalline or amorphous materials with exceptional mechanical properties. Here we use molecular dynamics simulations to…

Disordered Systems and Neural Networks · Physics 2023-03-17 Silvia Bonfanti , Roberto Guerra , Rene Alvarez-Donado , Pawel Sobkowicz , Stefano Zapperi , Mikko Alava

Dislocation is one of the most critical and fundamental crystal defects that dominate the mechanical behavior of crystalline solids, however, a quantitative determination of its character and property in experiments is quite challenging and…

Materials Science · Physics 2019-07-24 S. H. Zhang , D. Legut , R. F. Zhang

In this paper, we perform mathematical validation of the Peierls--Nabarro (PN) models, which are multiscale models of dislocations that incorporate the detailed dislocation core structure. We focus on the static and dynamic PN models of an…

Analysis of PDEs · Mathematics 2022-11-08 Yuan Gao , Jian-Guo Liu , Tao Luo , Yang Xiang

High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combinatorially large variety of compositions and a complex…

Materials Science · Physics 2025-10-03 Franco Moitzi , Lorenz Romaner , Andrei V. Ruban , Oleg E. Peil

We present a time-dependent Ginzburg-Landau model of nonlinear elasticity in solid materials. We assume that the elastic energy density is a periodic function of the shear and tetragonal strains owing to the underlying lattice structure.…

Statistical Mechanics · Physics 2009-11-10 Akira Onuki , Akira Furukawa , Akihiko Minam

In this paper we introduce Peierls-Nabarro type models for edge dislocations at semi-coherent interfaces between two heterogeneous crystals, and prove the optimality of uniformly distributed edge dislocations. Specifically, we show that the…

Analysis of PDEs · Mathematics 2023-04-26 Silvio Fanzon , Marcello Ponsiglione , Riccardo Scala

High-entropy alloys (HEAs) refer to alloys composed of five or more elements in equal or near-equal amounts or in an atomic concentration range of 5 to 35 atomic percent (at%). Different elemental ratios will affect the microstructures of…

Materials Science · Physics 2025-02-25 Shiyi Chen , Xuesong Fan , Hugh Shortt , Baldur Steingrimsson , Weidong Li , Peter Liaw

Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density functional calculations. The Keating model is based on atomistic modeling of elastic interactions in…

Materials Science · Physics 2015-12-30 Arvind Baskaran , Christian Ratsch , Peter Smereka

High-entropy alloys (HEA) form solid solutions with large chemical disorder and excellent mechanical properties. We investigate the origin of HEA strengthening in face-centered cubic (FCC) single-phase HEAs through molecular dynamics…

Materials Science · Physics 2025-01-08 A. Esfandiarpour , S. Papanikolaou , M. Alava

We consider a semi-linear integro-differential equation in dimension one associated to the half Laplacian %This model describes the evolution of phase transitions associated to dislocations. whose solution represents the atom dislocation in…

Analysis of PDEs · Mathematics 2020-08-18 Stefania Patrizi , Tharathep Sangsawang

High-entropy alloys (HEAs) are materials that consist of equimolar or near-equimolar multiple principal components but tend to form single phases, which is a new research topic in the field of metallurgy, have attracted extensive attention…

Materials Science · Physics 2021-02-19 Yuanyuan Shang , Jamieson Brechtl , Claudio Psitidda , Peter K. Liaw

The solution and diffusion of interstitial non-metallic solutes (INSs) like H, He, O, C, N, P, and S is common in refractory high-entropy alloys (RHEAs) and essentially controls the RHEAs properties. However, the disorder local chemical…

Materials Science · Physics 2025-08-06 Qianxi Zhu , Wang Gao , Qing Jiang

In this paper we study the relaxation process of Peierls-Nabarro dislocation model, which is a gradient flow with singular nonlocal energy and double well potential describing how the materials relax to its equilibrium with the presence of…

Analysis of PDEs · Mathematics 2022-11-08 Yuan Gao , Jian-Guo Liu

High-entropy alloys (HEAs), as multi-component materials with high configurational entropy, have garnered significant attention as new biomaterials; still, their low yield stress and high elastic modulus need to be overcome for future…

Recently, high-entropy alloys (HEAs) have attracted wide attention due to their extraordinary materials properties. A main challenge in identifying new HEAs is the lack of efficient approaches for exploring their huge compositional space.…

Materials Science · Physics 2019-05-07 Tatiana Kostiuchenko , Fritz Körmann , Jörg Neugebauer , Alexander Shapeev

Non-singular dislocation continuum theories are studied. A comparison between Peierls-Nabarro dislocations and straight dislocations in strain gradient elasticity is given. The non-singular displacement fields, non-singular stresses,…

Materials Science · Physics 2018-02-16 Markus Lazar