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Computational Mechanics
Erschienen in: Computational Mechanics 5/2017

21.01.2017 | Original Paper

Heat jet approach for finite temperature atomic simulations of triangular lattice

verfasst von: Baiyili Liu, Shaoqiang Tang, Jun Chen

Erschienen in: Computational Mechanics | Ausgabe 5/2017

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Abstract

In this paper, we propose a heat jet approach for atomic simulations at finite temperature of a triangular lattice. First we design a matching boundary condition by carefully examining a residual function based on the lattice dispersion relation. It leads to a two-way boundary condition, where prescribed incoming waves are included with a source term. Meanwhile, we adopt a phonon representation to determine Fourier mode amplitudes. The heat jet approach is then formulated by combining the two-way boundary condition and the phonon representation of heat source. Numerical tests of a tube-shaped computational domain illustrate the accuracy and effectiveness in simultaneously resolving thermal fluctuations and non-thermal motion at a given temperature.
Vorheriger Artikel Gradient plasticity crack tip characterization by means of the extended finite element method
Nächster Artikel A novel class of highly efficient and accurate time-integrators in nonlinear computational mechanics

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Metadaten
Titel
Heat jet approach for finite temperature atomic simulations of triangular lattice
verfasst von
Baiyili Liu
Shaoqiang Tang
Jun Chen
Publikationsdatum
21.01.2017
Verlag
Springer Berlin Heidelberg
Erschienen in
Computational Mechanics / Ausgabe 5/2017
Print ISSN: 0178-7675
Elektronische ISSN: 1432-0924
DOI
https://doi.org/10.1007/s00466-017-1376-5

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