Dislocation nucleation and defect structure during surface indentation

Kelchner, Cynthia L.; Plimpton, Steven J.; Hamilton, J. C.

doi:10.1103/physrevb.58.11085

Cited by 1,916 publications

(1,022 citation statements)

References 25 publications

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“…Consequently, CSP is a useful measure of the local lattice disorder around an atom and can be used to characterize whether the atom is part of a perfect lattice, a local defect (e.g., a dislocation or stacking fault), or at a surface [41]. Especially, CSP is also useful for visualizing planar faults in fcc and bcc crystals [40].…”

Section: Central Symmetry Parameter (Csp)mentioning

confidence: 99%

See 1 more Smart Citation

How to identify dislocations in molecular dynamics simulations?

Wang

Yang

et al. 2014

Sci. China Phys. Mech. Astron.

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Dislocations are of great importance in revealing the underlying mechanisms of deformed solid crystals. With the development of computational facilities and technologies, the observations of dislocations at atomic level through numerical simulations are permitted. Molecular dynamics (MD) simulation suggests itself as a powerful tool for understanding and visualizing the creation of dislocations as well as the evolution of crystal defects. However, the numerical results from the large-scale MD simulations are not very illuminating by themselves and there exist various techniques for analyzing dislocations and the deformed crystal structures. Thus, it is a big challenge for the beginners in this community to choose a proper method to start their investigations. In this review, we summarized and discussed up to twelve existing structure characterization methods in MD simulations of deformed crystal solids. A comprehensive comparison was made between the advantages and disadvantages of these typical techniques. We also examined some of the recent advances in the dynamics of dislocations related to the hydraulic fracturing. It was found that the dislocation emission has a significant effect on the propagation and bifurcation of the crack tip in the hydraulic fracturing.

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Section: Central Symmetry Parameter (Csp)mentioning

confidence: 99%

“…CSP is defined as [40]: where the N nearest neighbors of each atom are identified. We may want to use N = 12 or 8 for fcc and bcc lattice, respectively.…”

Section: Central Symmetry Parameter (Csp)mentioning

confidence: 99%

How to identify dislocations in molecular dynamics simulations?

Wang

Yang

et al. 2014

Sci. China Phys. Mech. Astron.

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show abstract

“…Previous studies have used per-atom structure metrics (e.g., centrosymmetry, 206 slip vector, 207 common-neighbor analysis, 208 or Ackland analysis 209 ) for distinguishing and visualizing grain boundaries, triple junctions, dislocations, twins, and point defects in static or dynamic simulations. 96,210 In addition to these structure-based metrics, there have emerged a number of continuum mechanics-motivated metrics that define different strain or stress measures based on the local environment, e.g., the Hardy stress by Zimmerman and colleagues, 97,211 deformation gradient-based metrics by Tucker et al 212,213 and Stukowski and Arsenlis.…”

Section: Advancements In the Analysis Of MDmentioning

confidence: 99%

“Bulk” Nanocrystalline Metals: Review of the Current State of the Art and Future Opportunities for Copper and Copper Alloys

Tschopp

Murdoch

Kecskes

et al. 2014

JOM

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It is a new beginning for innovative fundamental and applied science in nanocrystalline materials. Many of the processing and consolidation challenges that have haunted nanocrystalline materials are now more fully understood, opening the doors for bulk nanocrystalline materials and parts to be produced. While challenges remain, recent advances in experimental, computational, and theoretical capability have allowed for bulk specimens that have heretofore been pursued only on a limited basis. This article discusses the methodology for synthesis and consolidation of bulk nanocrystalline materials using mechanical alloying, the alloy development and synthesis process for stabilizing these materials at elevated temperatures, and the physical and mechanical properties of nanocrystalline materials with a focus throughout on nanocrystalline copper and a nanocrystalline Cu-Ta system, consolidated via equal channel angular extrusion, with properties rivaling that of nanocrystalline pure Ta. Moreover, modeling and simulation approaches as well as experimental results for grain growth, grain boundary processes, and deformation mechanisms in nanocrystalline copper are briefly reviewed and discussed. Integrating experiments and computational materials science for synthesizing bulk nanocrystalline materials can bring about the next generation of ultrahigh strength materials for defense and energy applications.

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“…Notice that for centro-symmetric lattices the leading-order term in (S17) vanishes since centro-symmetry [8] implies n γ=1 k γ e γ = 0. Before passing to the continuum limit as a → 0, it is essential that the system parameters obey the correct scaling, so that the continuum governing equation and associated solutions remain finite in the limit.…”

Section: Discrete Network and Continuum Limitmentioning

confidence: 99%

Atomimetic Mechanical Structures with Nonlinear Topological Domain Evolution Kinetics

Frazier

Kochmann

2017

Advanced Materials

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A mechanical metamaterial, a simple, periodic mechanical structure, is reported, which reproduces the nonlinear dynamic behavior of materials undergoing phase transitions and domain switching at the structural level. Tunable multistability is exploited to produce switching and transition phenomena whose kinetics are governed by the same Allen–Cahn law commonly used to describe material‐level, structural‐transition processes. The reported purely elastic mechanical system displays several key features commonly found in atomic‐ or mesoscale physics of solids. The rotating‐mass network shows qualitatively analogous features as, e.g., ferroic ceramics or phase‐transforming solids, and the discrete governing equation is shown to approach the phase field equation commonly used to simulate the above processes. This offers untapped opportunities for reproducing material‐level, dissipative and diffusive kinetic phenomena at the structural level, which, in turn, invites experimental realization and paves the road for new active, intelligent, or phase‐transforming mechanical metamaterials bringing small‐scale processes to the macroscopically observable scale.

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Dislocation nucleation and defect structure during surface indentation

Cited by 1,916 publications

References 25 publications

How to identify dislocations in molecular dynamics simulations?

How to identify dislocations in molecular dynamics simulations?

“Bulk” Nanocrystalline Metals: Review of the Current State of the Art and Future Opportunities for Copper and Copper Alloys

Atomimetic Mechanical Structures with Nonlinear Topological Domain Evolution Kinetics

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