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In situ straining experiments were performed in a TEM on an equimolar CoCrFeMnNi (Cantor) high entropy alloy at room and cryogenic temperature. Perfect and partial dislocation activity were recorded in both cases. Twinning directly follows…

Among all materials, mono-crystalline diamond has one of the highest measured thermal conductivities, with values above 2000 W/m/K at room temperature. This stems from momentum-conserving `normal' phonon-phonon scattering processes…

Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this…

Computational Physics · Physics 2012-12-04 Suprijadi , Ely Aprilia , Meiqorry Yusfi

A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and…

Stressed dislocation pattern formation in crystal plasticity at finite deformation is demonstrated for the first time. Size effects are also demonstrated within the same mathematical model. The model involves two extra material parameters…

Materials Science · Physics 2018-12-04 Rajat Arora , Amit Acharya

Sapphire and rubies (undoped and Cr-doped $\alpha$-Al$_2$O$_3$ single crystals) have been deformed in compression at temperatures lower than those previously used in studies of dislocations in the basal slip plane (see part I). Above…

Materials Science · Physics 2024-02-07 M. Castillo Rodríguez , J. Castaing , A. Muñoz , P. Veyssière , A. Domínguez Rodríguez

The importance of accurate simulation of the plastic deformation of ductile metals to the design of structures and components is well-known. Many techniques exist that address the length scales relevant to deformation pro- cesses, including…

Materials Science · Physics 2016-08-16 Reese Jones , Jonathan Zimmerman , Giacomo Po

Nitrogen-Vacancy centers in diamond possess an electronic spin resonance that strongly depends on temperature, which makes them efficient temperature sensor with a sensitivity down to a few mK/$\sqrt{\rm Hz}$. However, the high thermal…

Conventional discrete-to-continuum approaches have seen their limitation in describing the collective behaviour of the multi-polar configurations of dislocations, which are widely observed in crystalline materials. The reason is that…

Materials Science · Physics 2016-04-12 Stephen Jonathan Chapman , Yang Xiang , Yichao Zhu

Atomic crystals with dislocations deform plastically at low stresses via dislocation glide. Whether dislocation glide occurs in macroscopic frictional granular media has remained unknown. The discrete element method is employed to simulate…

Materials Science · Physics 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi

Dislocations in crystalline materials are widely exploited to tailor the thermal conductivity of semiconductors and thermoelectrics, yet a critical gap persists: direct measurement of local thermal resistance at individual buried…

Materials Science · Physics 2026-05-20 Ruilin Mao , Bingyao Liu , Jiaxin Liu , Xiaoyue Gao , Junping Luo , Fachen Liu , Ruochen Shi , Jiade Li , Jinlong Du , Peng Gao

We combine density functional theory within the local density approximation, the quasiharmonic approximation, and vibrational density of states to calculate single crystal elastic constants, and bulk and shear moduli of diamond at…

Materials Science · Physics 2015-06-05 M. Núñez Valdez , K. Umemoto , R. M. Wentzcovitch

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Materials Science · Physics 2024-04-03 Nicolas Bertin , Wei Cai , Sylvie Aubry , Athanasios Arsenlis , Vasily V. Bulatov

We propose a model to study the plasticity of ice single crystals by numerical simulations. The model includes the long-range character of the interaction among dislocations, as well as the possibility of mutual annihilation of these line…

Statistical Mechanics · Physics 2007-05-23 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi

In small-scale metallic systems, collective dislocation activity has been correlated with size effects in strength and with a step-like plastic response under uniaxial compression and tension. Yielding and plastic flow in these samples is…

Materials Science · Physics 2019-07-18 Xiaoyue Ni , Stefanos Papanikolaou , Gabriele Vajente , Rana X Adhikari , Julia R. Greer

Dislocations are line defects in crystalline solids and often exert a significant influence on the mechanical properties of metals. Recently, there has been a growing interest in using dislocations in ceramics to enhance materials…

Materials Science · Physics 2025-10-28 Haoxuan Wang , Yifan Wang , Xu Liang , Wenshan Yu , Xufei Fang , Shengping Shen

The deformation behaviour of the intermetallic Al$_{2}$Cu-phase was investigated using atomistic simulations and micropillar compression, where slip on the unexpected {211} and {022} slip planes was revealed. Additionally, all possible slip…

Materials Science · Physics 2021-08-26 D. Andre , Z. Xie , F. Ott , J. T. Pürstl , N. Lohrey , W. J. Clegg , S. Sandlöbes-Haut , S. Korte-Kerzel

For potentially wider applications of ceramics with dislocation-tuned mechanical and functional properties, it is pertinent to achieve dislocation engineering in polycrystalline ceramics. However, grain boundaries (GBs) in general are…

Materials Science · Physics 2025-09-08 Kuan Ding , Atsutomo Nakamura , Patrick Cordier , Xufei Fang

Compared to cubic metals, whose primary slip mode includes twelve equivalent systems, the lower crystalline symmetry of hexagonal close-packed metals results in a reduced number of equivalent primary slips and anisotropy in plasticity,…

Materials Science · Physics 2016-06-15 Mitsuhiro Itakura , Hideo Kaburaki , Masatake Yamaguchi , Tomohito Tsuru

Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…

Materials Science · Physics 2020-08-19 Henri Salmenjoki , Arttu Lehtinen , Lasse Laurson , Mikko J. Alava