Simulations of the atomic structure, energetics, and cross slip of screw dislocations in copper

Rasmussen, T.; Jacobsen, Karsten Wedel; Leffers, T.; Pedersen, O.B.

doi:10.1103/physrevb.56.2977

Cited by 93 publications

(81 citation statements)

References 30 publications

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“…One can speculate that an alternative cross-slip mechanism could be cross slip of a screw dislocation terminated at a free surface, initiated by the formation of a screwlike constriction at the free surface. Such a cross-slip event has been observed in simulations, but the energy barrier for this process is at present not known [9].…”

Section: (Received 2 July 1997)mentioning

confidence: 92%

“…Several possible mechanisms have been proposed for the thermally activated cross slip [1][2][3][4][5], and recently the model proposed by Friedel [2] and Escaig [5] (FE) has been treated with linear elasticity theory [6,7]. During the cross-slip process the dislocation cores overlap, and the estimates of the activation energy vary appreciably depending on the cut-off procedures at the dislocation cores [6,8,9].…”

Section: (Received 2 July 1997)mentioning

confidence: 99%

“…For a discussion of the influence of the dislocation characters on the energetics we refer to Ref. [9]. When the dislocation redissociates in the crossslip plane two constrictions are formed.…”

Section: (Received 2 July 1997)mentioning

confidence: 99%

“…The atomic interactions are described with a manybody potential derived from the effective-medium theory [10]. The potential reproduces the elastic constants and the intrinsic stacking-fault energy of Cu very well [9].…”

Section: (Received 2 July 1997)mentioning

confidence: 99%

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Atomistic Determination of Cross-Slip Pathway and Energetics

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Section: (Received 2 July 1997)mentioning

confidence: 92%

Section: (Received 2 July 1997)mentioning

confidence: 99%

Section: (Received 2 July 1997)mentioning

confidence: 99%

Section: (Received 2 July 1997)mentioning

confidence: 99%

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Atomistic Determination of Cross-Slip Pathway and Energetics

et al. 1997

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“…This requires a description at the atomistic scale to capture the displacement field in this extended core. 11 Secondly, two types of anisotropic effects should be considered here, the anisotropy of the elastic constants leading to an angular dependence of the shear modulus in the cross-section plane and the anisotropy due to the shape of the wire. Finally, the influence of the surface stress on the boundary conditions should be also quantified in such a study where the nanowires have radii in the 10-nm range.…”

Section: Introductionmentioning

confidence: 99%

Displacement field of a screw dislocation in a〈011〉Cu nanowire: An atomistic study

Gailhanou

Roussel

2013

Phys. Rev. B

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By performing atomistic calculations with a tight-binding potential, we study the displacement field induced by a screw dislocation lying along a free 011 Cu cylindrical nanowire. For this anisotropic orientation that is often encountered experimentally, we show that the displacement field u z along the nanowire can be seen as the superposition of three different fields: the screw dislocation field in an infinite medium, the warping displacement field caused by the so-called Eshelby twist, and an additional image field induced by the free surfaces. A Fourier series analysis of this latter image displacement and stress fields is given. For a circular cross section of the wire, this image field corresponds mainly to an additional warping displacement u z ∝ xy. The dissociation mechanism of the dislocation into partials and the surface stress effects being also captured in our simulations, the present study enables one to quantify the various contributions to the formation of the x-ray diffractograms.

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Multiscale Discrete Dislocation Dynamics Plasticity

Zbib

Hiratani

Shehadeh

2004

Continuum Scale Simulation of Engineering Materials

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Deformation and strength of crystalline materials are determined to a large extent by underlying mechanisms involving various crystal defects, such as vacancies, interstitials and impurity atoms (point defects), dislocations (line defects), grain boundaries, heterogeneous interfaces and microcracks (planar defects), chemically heterogeneous precipitates, twins and other strain-inducing phase transformations (volume defects). Most often, dislocations define plastic yield and flow behavior, either as the dominant plasticity carriers or through their interactions with the other strain-producing defects. Dislocation as a line defect in a continuum space was first introduced as a mathematical concept in the early 20th century by Voltera (1907) andSomigliana (1914). They considered the elastic properties of a cut in a continuum, corresponding to slip, disclinations, and/or dislocations. But associating these geometric cuts to dislocations in crystalline materials was not made until the year 1934. In order to explain the less than ideal strength of crystalline materials, Orowan (1934), Polanyi (1934 and Taylor (1934) simultaneously hypothesized the existence of dislocation as a crystal defect. Later in the late 50's, the existence of dislocations was experimentally confirmed by Hirsch, et al. (1956) andDash (1957). Presently these crystal defects are routinely observed by various means of electron microscopy.

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Simulations of the atomic structure, energetics, and cross slip of screw dislocations in copper

Cited by 93 publications

References 30 publications

Atomistic Determination of Cross-Slip Pathway and Energetics

Atomistic Determination of Cross-Slip Pathway and Energetics

Displacement field of a screw dislocation in a〈011〉Cu nanowire: An atomistic study

Multiscale Discrete Dislocation Dynamics Plasticity

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