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We perform atomistic Monte Carlo simulations of bending a Lennard-Jones single crystal in two dimensions. Dislocations nucleate only at the free surface as there are no sources in the interior of the sample. When dislocations reach…

Materials Science · Physics 2009-11-11 N. Scott Weingarten , Robin L. B. Selinger

By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires…

Materials Science · Physics 2025-05-02 Xiaorui Hu , Jiawei Xiong

The interaction of crystalline defects leads to strain hardening in bulk metals. Metals with high stacking fault energy (SFE), such as aluminum, tend to have low strain hardening rates due to an inability to form stacking faults and…

Materials Science · Physics 2022-06-10 Mehrdad T. Kiani , Zachary H. Aitken , Abhinav Parakh , Yong-Wei Zhang , X. Wendy Gu

Microcrystals deform very differently from their macroscopic counterparts, displaying a size-dependent yield stress and intermittent plastic strain bursts. Here we demonstrate that size effects and strain bursts may be just two different…

Materials Science · Physics 2012-04-04 Valentina Beato , Michael Zaiser , Stefano Zapperi

As circuitry approaches single nanometer length scales, it is important to predict the stability of metals at these scales. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if…

We present computational evidence using MD simulations of a size effect for the critical resolved shear stress (CRSS) of edge dislocation motion in nickel superalloys. We model the superalloy as periodically spaced cubic $\gamma'$…

Materials Science · Physics 2025-07-16 Divyeshkumar A. Mistry , Amuthan A. Ramabathiran

Nanoindentation techniques recently developed to measure the mechanical response of crystals under external loading conditions reveal new phenomena upon decreasing sample size below the microscale. At small length scales, material…

Materials Science · Physics 2015-03-18 Paolo Moretti , Benedetta Cerruti , M. -Carmen Miguel

The effect of grain size on the flow stress of FCC polycrystals is analyzed by means of a multiscale strategy based on computational homogenization of the polycrystal aggregate. The mechanical behavior of each crystal is given by a…

Materials Science · Physics 2018-02-09 S. Haouala , J. Segurado , J. LLorca

Dislocation slip is a general deformation mode and governs the strength of metals. Via discrete dislocation dynamics and molecular dynamics simulations, we investigate the strain rate and dislocation density dependence of the strength of…

Materials Science · Physics 2021-04-14 Haidong Fan , Jaafar A. El-Awady , Qingyuan Wang , Dierk Raabe , Michael Zaiser

Crystal plasticity of sub-micron finite volumes is characterized by the flow of emergent dislocation defects, giving rise to size effects in mechanical properties and avalanche phenomena. In this chapter, we present a minimal model for…

Materials Science · Physics 2019-08-09 Stefanos Papanikolaou , Michail Tzimas

Micron-scale single crystalline materials deform plastically via large intermittent strain bursts that make the deformation process unpredictable. Here we investigate this stochastic phenomenon by analysing the plastic response of an…

Size plays an important role on the deformation mechanism of nanopillars. With decreasing size, many FCC nanopillars exhibit dislocation starvation state which is responsible for their high strength. However, many details about the…

Materials Science · Physics 2023-10-04 G. Sainath , Vani Shankar , A. Nagesha

Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…

Materials Science · Physics 2020-11-05 Jianqiao Hu , Hengxu Song , Zhanli Liu , Zhuo Zhuang , Xiaoming Liu , Stefan Sandfeld

Ni-based superalloys have been the subject of enormous usage in scenarios where the loading is heavy and often occurs at elevated temperatures. The strengthening mechanisms that come into play within the metallic lattice have been studied…

Computational Physics · Physics 2017-07-17 Anand Krishna Kanjarla , Gautham Muthusamy , Aditya Venkatraman

Molecular dynamics simulations are performed to investigate the role of a coherent {\Sigma}3 (111) twin boundary on the plastic deformation behavior of Cu nanopillars. Our work reveals that the mechanical response of pillars with and…

Typically, the plastic yield stress of a sample is determined from a stress-strain curve by defining a yield strain and reading off the stress required to attain it. However, it is not a priori clear that yield strengths of microscale…

Soft Condensed Matter · Physics 2013-04-22 Zoe Budrikis , Stefano Zapperi

The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and…

Statistical Mechanics · Physics 2024-07-09 Arthur France-Lanord , Sarath Menon , Julien Lam

The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of yielding transitions and grain-size effects in polycrystalline solids. Calculations are based on the 1995 experimental results of…

Materials Science · Physics 2017-03-29 J. S. Langer

Atomistic simulations are performed to study the statistical mechanical property of gold nanoparticles. It is demonstrated that the yielding behavior of gold nanoparticles is governed by dislocation nucleation around surface steps. Since…

Materials Science · Physics 2021-07-08 Liang Yang , Jianjun Bian , Weike Yuan , Gangfeng Wang

It is now possible to create perfect crystal nanowires of many metals. The deformation of such objects requires a good understanding of the processes involved in plasticity at the nanoscale. Isotropic compression of such nanometre scale…

Materials Science · Physics 2019-06-05 Con J. Healy , Graeme J. Ackland
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