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Tight-binding molecular dynamics simulations of the vibration properties of α-titanium

✍ Scribed by Jacob L. Gavartin; David J. Bacon


Book ID
117627248
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
440 KB
Volume
10
Category
Article
ISSN
0927-0256

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Tight-binding molecular dynamics simulat
✍ A. Laref 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 610 KB

## Abstract We investigate the structural, electronic and dynamical properties of ZnSe liquid using tight‐binding molecular dynamics (TBMD) simulations. We report the TBMD calculations for the solid and liquid forms of the ZnSe compound. To produce more realistic results the TB model includes the l