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Shock-induced breaking of the nanowire with the dependence of crystallographic orientation and strain rate.

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TLDR
The statistical breaking position distributions of the nanowires have been investigated to give the effects of strain rate and crystallographic orientation on micro-atomic fluctuation in the symmetric stretching of thenanowires.
Abstract
The failure of the metallic nanowire has raised concerns due to its applied reliability in nanoelectromechanical system. In this article, the breaking failure is studied for the [100], [110], and [111] single-crystal copper nanowires at different strain rates. The statistical breaking position distributions of the nanowires have been investigated to give the effects of strain rate and crystallographic orientation on micro-atomic fluctuation in the symmetric stretching of the nanowires. When the strain rate is less than 0.26% ps-1, macro-breaking position distributions exhibit the anisotropy of micro-atomic fluctuation. However, when the strain rate is larger than 3.54% ps-1, the anisotropy is not obvious because of strong symmetric shocks.

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Journal ArticleDOI

Investigation on the most probable breaking behaviors of copper nanowires with the dependence of temperature

TL;DR: In this article, the deformation and breaking properties of single-crystal copper nanowires subjected to uniaxial tension at different temperatures were studied using molecular dynamics simulations.
Journal ArticleDOI

Selective excitation of two-wave structure depending on crystal orientation under shock compression

TL;DR: In this paper, the authors performed molecular dynamics simulations of shock compressions in copper single crystals to investigate the orientation dependence of shock responses and the corresponding deformation mechanisms, and developed a technique for identifying twin structures in face-centered cubic crystals.
Journal ArticleDOI

Uniaxial tension-induced breaking in the gold nanowire with the influence of defects and temperatures

TL;DR: In this article, the deformation and breaking of the [100] single-crystal gold nanowires containing vacancy defects are studied using molecular dynamics simulations at different temperatures, and the statistical breaking position distributions show the sensitivity of a nanowire to vacancies is based on a competition between constructed vacancies and disordered crystalline structures induced by temperatures.
References
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Book

Computer Simulation of Liquids

TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.
Journal ArticleDOI

Canonical dynamics: Equilibrium phase-space distributions

TL;DR: The dynamical steady-state probability density is found in an extended phase space with variables x, p/sub x/, V, epsilon-dot, and zeta, where the x are reduced distances and the two variables epsilus-dot andZeta act as thermodynamic friction coefficients.
Journal ArticleDOI

A unified formulation of the constant temperature molecular dynamics methods

TL;DR: In this article, the authors compared the canonical distribution in both momentum and coordinate space with three recently proposed constant temperature molecular dynamics methods by: (i) Nose (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 77, 63 (1983); and (iii) Haile and Gupta [J. Chem. Phys. 79, 3067 (1983).
Journal ArticleDOI

A molecular dynamics method for simulations in the canonical ensemble

TL;DR: In this paper, a molecular dynamics simulation method which can generate configurations belonging to the canonical (T, V, N) ensemble or the constant temperature constant pressure ensemble was proposed, which is tested for an atomic fluid (Ar) and works well.
Book

The Art of Molecular Dynamics Simulation

TL;DR: This book describes the extremely powerful technique of molecular dynamics simulation, which involves solving the classical many-body problem in contexts relevant to the study of matter at the atomic level.