Molecular Dynamics Simulation of Molten Silicon

Molecular dynamics simulation by using NPT algorithm was performed to estimate selfdiffusion constant of molten silicon. The estimated value shows monotonous increase with increase in temperature. Absolute value of the constant is estimated to be about 1×10-4cm2/s. More than one thousand of atoms ar...

Full description

Saved in:
Bibliographic Details
Published inNetsu Bussei Vol. 8; no. 4; pp. 220 - 225
Main Author Kakimoto, Koichi
Format Journal Article
LanguageJapanese
Published JAPAN SOCIETY OF THERMOPHYSICAL PROPERTIES 1994
Online AccessGet full text
ISSN0913-946X
1881-414X
DOI10.2963/jjtp.8.220

Cover

More Information
Summary:Molecular dynamics simulation by using NPT algorithm was performed to estimate selfdiffusion constant of molten silicon. The estimated value shows monotonous increase with increase in temperature. Absolute value of the constant is estimated to be about 1×10-4cm2/s. More than one thousand of atoms are requested to obtain macroscopic thermophysical properties.
ISSN:0913-946X
1881-414X
DOI:10.2963/jjtp.8.220