Thermal conductivity of ZnSe by molecular dynamics simulation
β Scribed by A. K. Balasubramanian; N. Sankar; S. K. Ramakrishnan; K. Ramachandran
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 172 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0232-1300
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β¦ Synopsis
Abstract
Molecular dynamics simulation using the new fit of the empirical Tersoff Potential is applied to study the thermal properties of ZnSe at and below the room temperature. The resulting diffusivity and thermal conductivity are compared with the photoacoustic measurements on the grown ZnSe crystal. (Β© 2004 WILEYβVCH Verlag GmbH & Co. KGaA, Weinheim)
π SIMILAR VOLUMES
Molecular dynamics simulations for nanometer scale polyethylene (PE) particles generated with up to 12000 atoms are presented to gain insight into some thermodynamic properties of ultra fine polymer powders. By computing molecular volume and total energy as a function of temperature, we obtained mel