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A novel semidiscrete Peierls-Nabarro model is introduced which can be used to study dislocation spreading at more than one slip planes, such as dislocation cross-slip and junctions. The strength of the model, when combined with ab initio…

Materials Science · Physics 2009-11-07 Gang Lu , Vasily V. Bulatov , Nicholas Kioussis

This paper evaluates qualitatively as well as quantitatively the accuracy of a recently proposed Peierls--Nabarro Finite Element (PN-FE) model for dislocations by a direct comparison with an equivalent molecular statics simulation. To this…

Materials Science · Physics 2020-08-26 F. Bormann , K. Mikeš , O. Rokoš , R. H. J. Peerlings

We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles…

Materials Science · Physics 2009-10-31 Gang Lu , Nicholas Kioussis , Vasily V. Bulatov , Efthimios Kaxiras

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

Plasticity of metals is the emergent phenomenon of many crystal defects (dislocations) which interact and move on microscopic time and length scales. Two of the commonly used models to describe such dislocation dynamics are the…

Analysis of PDEs · Mathematics 2022-10-07 Patrick van Meurs , Stefania Patrizi

High entropy alloys (HEAs) are single phase crystals that consist of random solid solutions of multiple elements in approximately equal proportions. This class of novel materials have exhibited superb mechanical properties, such as high…

Materials Science · Physics 2020-04-21 Tianpeng Jiang , Yang Xiang , Luchan Zhang

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

Organic molecular crystals encompass a vast range of materials from pharmaceuticals to organic optoelectronics and proteins to waxes in biological and industrial settings. Crystal defects from grain boundaries to dislocations are known to…

Materials Science · Physics 2023-09-01 Sang T. Pham , Natalia Koniuch , Emily Wynne , Andy Brown , Sean M. Collins

Dislocation core properties of tin (\beta-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects the continuum elasticity treatment of the long-range strain field around a…

Materials Science · Physics 2017-03-08 M. A. Bhatia , M. Azarnoush , I. Adlakha , G. Lu , K. N. Solanki

Dislocations, line defects in crystalline materials, play an essential role in the mechanical[1,2], electrical[3], optical[4], thermal[5], and phase transition[6] properties of these materials. Dislocation motion, an important mechanism…

Materials Science · Physics 2023-07-04 Mingqiang Li , Yidi Shen , Kun Luo , Qi An , Peng Gao , Penghao Xiao , Yu Zou

We have employed the improved Peierls-Nabarro (P-N) equation to study the properties of 1/2<110> edge dislocation in {111} plane in FCC metals Al, Cu, Ir, Pd, and Pt. The generalized-stacking-fault energy (GSFE) surface entering the…

Materials Science · Physics 2015-05-27 Rui Wang , Shaofeng Wang , Xiaozhi Wu

We consider the equation $$v_t=L_s v-W'(v)+\sigma_\epsilon(t,x) \quad {\mbox{ in }} (0,+\infty)\times\R,$$ where $L_s$ is an integro-differential operator of order $2s$, with $s\in(0,1)$, $W$ is a periodic potential, and $\sigma_\epsilon$…

Analysis of PDEs · Mathematics 2013-11-15 Serena Dipierro , Alessio Figalli , Enrico Valdinoci

Metals with fcc structure may exhibit deformation twinning under specific conditions, which is an interesting but somewhat elusive aspect of their deformation behavior. It is well acknowledged that the phenomenon occurs through the…

Materials Science · Physics 2020-08-28 Sri Sadgun Reddy Pulagam , Amlan Dutta

We focus on existence and rigidity problems of the vectorial Peierls-Nabarro (PN) model for dislocations. Under the assumption that the misfit potential on the slip plane only depends on the shear displacement along the Burgers vector, a…

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

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

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

In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as completely as possible the simplest case: a single dislocation in a two dimensional crystal. The intention is that results…

Materials Science · Physics 2007-05-23 N. Bailey , J. Sethna , C. Myers

We studied solid solution effects on the mechanical properties of nanocrystalline (NC) $\mathrm{Pd}_{\mathrm{100-x}} \mathrm{Au}_{\mathrm{x}}$ alloys ($0 \leq \mathrm{x} < 50 \mathrm{at.\%}$) at the low end of the nanoscale. Concentration…

Materials Science · Physics 2016-01-08 A. Leibner , C. Braun , J. Heppe , M. Grewer , R. Birringer

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

The thermodynamic description of dislocation glide in crystals depends crucially on the shape of the Peierls barrier that the dislocation has to overcome when moving in the lattice. While the height of this barrier can be obtained…

Materials Science · Physics 2014-09-04 R. Gröger
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