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Improved Quasiharmonic Methods for Grain Boundary Free Energy Calculations in Silicon
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Calculation of Grain Boundary Free Energy by Molecular Dynamics and Tests on Silicon Perfect Crystal
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Möbius Tight Binding Calculations for Grain Boundaries
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Structural and Electrical Transport Properties of Grain Boundaries in High Temperature Superconductors
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HomeSolid State PhenomenaSolid State Phenomena Vols. 37-38Calculation of Grain Boundary Free Energy by...

Calculation of Grain Boundary Free Energy by Molecular Dynamics and Tests on Silicon Perfect Crystal

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Polycrystalline Semiconductors III

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Periodical:

Solid State Phenomena (Volumes 37-38)

Pages:

97-102

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.37-38.97

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Online since:

March 1994

Authors:

N. Ralantoson, A. Hairie, F. Hairie, O.B.M. Hardouin Duparc, M. Hou, Gerard Nouet, E. Paumier

Keywords:

Anharmonic Effects, Free Energy, Grain Boundary, Molecular Dynamic (MD), Phonon, Silicon

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© 1994 Trans Tech Publications Ltd. All Rights Reserved

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