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Addition of solutes is commonly used to stabilize nanocrystalline materials against grain growth. However, segregating at grain boundaries, these solutes also affect the process of dislocation nucleation from grain boundaries under applied…

材料科学 · 物理学 2017-12-21 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King

On the basis of the classical dislocation theory, the Solid Solution Hardening (SSH) is commonly ascribed to the pinning of the edge dislocations. At the atomic level, the theoretical study of the dislocation cores contrasts with such a…

材料科学 · 物理学 2009-11-13 Sylvain Patinet , Laurent Proville

Dislocation velocities and mobilities are studied by Molecular Dynamics simulations for edge and screw dislocations in pure aluminum and nickel, and edge dislocations in Al-2.5%Mg and Al-5.0%Mg random substitutional alloys using EAM…

材料科学 · 物理学 2009-11-10 David L. Olmsted , Louis G. Hector , W. A. Curtin , R. J. Clifton

The two-dimensional dislocation dynamics approach has been recently used for analyzing plastic deformation in metals and alloys at elevated temperatures. The two-dimensional approach, however, only accounts for the dislocation climbing…

材料科学 · 物理学 2018-01-29 Amirreza Keyhani

Aluminum alloys, the most widely utilized lightweight structural materials, predominantly depend on coherent complex-structured nano-plates to enhance their mechanical properties. Despite several decades of research, the atomic-scale…

材料科学 · 物理学 2024-10-22 Junyuan Bai , Gaowu Qin , Xueyong Pang , Zhihao Zhao

The influence of magnetism on the properties of screw dislocations in body-centered cubic chromium is investigated by means of ab initio calculations. Screw dislocations having Burgers vectors 1/2 111 and 100 are considered, following…

材料科学 · 物理学 2021-05-21 Baptiste Bienvenu , Chu Fu , Emmanuel Clouet

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…

材料科学 · 物理学 2014-10-22 A. Dutta , M. Bhattacharya , P. Barat

Smectic liquid crystals are charcterized by layers that have a preferred uniform spacing and vanishing curvature in their ground state. Dislocations in the smectics play an important role in phase nucleation, layer reorientation, and…

软凝聚态物质 · 物理学 2017-06-28 Hillel Aharoni , Thomas Machon , Randall D. Kamien

Dislocation nucleation is essential to our understanding of plastic deformation, ductility and mechanical strength of crystalline materials. Molecular dynamics simulation has played an important role in uncovering the fundamental mechanisms…

材料科学 · 物理学 2015-05-20 Seunghwa Ryu , Keonwook Kang , Wei Cai

Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures. We used molecular dynamics (MD) with classical effective…

材料科学 · 物理学 2024-03-04 Geraldine Anis , Thomas Hudson , Peter Brommer

The fundamental interactions between an edge dislocation and a random solid solution are studied by analyzing dislocation line roughness profiles obtained from molecular dynamics simulations of Fe0.70Ni0.11 Cr0.19 over a range of stresses…

The generalized stacking fault (GSF) energy surfaces have received considerable attention due to their close relation to the mechanical properties of solids. We present a detailed study of the GSF energy surfaces of silicon within the…

mtrl-th · 物理学 2009-10-30 Yu-min Juan , Efthimios Kaxiras

Deformation twinning, which occurs in fcc metals only under particular conditions of intrinsic material properties, microstructure, and loading conditions, occupies an indispensable place in their deformation mechanism maps. Nonetheless,…

材料科学 · 物理学 2020-10-12 Sweta Kumari , Amlan Dutta

We develop a model for the gliding of dislocations and plasticity in solid He-4. This model takes into account the Peierls barrier, multiplication and interaction of dislocations, as well as classical thermally and mechanically activated…

Strain plays a critical role in the properties of materials. In silicon and silicon-germanium, strain provides a mechanism for control of both carrier mobility and band offsets. In materials integra-tion, strain is typically tuned through…

We study dislocation networks in the plane using the vectorial phase-field model introduced by Ortiz and coworkers, in the limit of small lattice spacing. We show that, in a scaling regime where the total length of the dislocations is…

偏微分方程分析 · 数学 2020-01-24 Sergio Conti , Adriana Garroni , Stefan Müller

Global optimization of transition paths in complex atomic scale systems is addressed in the context of misfit dislocation formation in a strained Ge film on Si(001). Such paths contain multiple intermediate minima connected by minimum…

材料科学 · 物理学 2016-06-22 Emile Maras , Oleg Trushin , Alexander Stukowski , Tapio Ala-Nissila , Hannes Jonsson

Interfacial nucleation is the dominant process of dislocation generation during the plastic deformation of nano-crystalline materials. Solute additions intended to stabilize nano-crystalline metals against grain growth, may segregate to the…

材料科学 · 物理学 2017-10-26 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King

We calculate the dislocation glide mobility in solid $^4$He within a model that assumes the existence of a superfluid field associated with dislocation lines. Prompted by the results of this mobility calculation, we study within this model…

其他凝聚态物理 · 物理学 2017-01-20 Abdul N. Malmi-Kakkada , Oriol T. Valls , Chandan Dasgupta

Scanning electron microscopy (SEM) based electron channeling contrast imaging (ECCI) is used to observe and quantify misfit dislocation (MD) networks formed at the heteroepitaxial interface between ZnS and GaP grown by molecular beam…