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HomeKeywordsfinite temperature

Keywords: finite temperature

Molecular Dynamics Simulation of Bulk Silicon under Strain

Zhao H., Aluru N.R., University of Illinois at Urbana-Champaign, US
In this paper, thermodynamical properties such as Helmholtz free energy and internal energy when the silicon crystal is subjected to a compression, stretch and a shear deformation are calculated using classical MD open source code [...]

Finite Temperature Quasicontinuum Method for Thermal and Mechanical Analysis of Silicon Nanostructures

Tang Z., Zhao H., Li G., Aluru N.R., University of Illinois at Urbana-Champaign, US
We formulate a finite temperature quasicontinuum method to calculate the thermodynamic and elastic properties of crystalline silicon as well as the mechanical response of silicon nanostructures subjected to externally applied forces. We solve the continuum [...]

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