Phonostat: Thermostatting phonons in molecular dynamics simulations
Thermostat algorithms in a molecular dynamics simulation maintain an average temperature of a system by regulating the atomic velocities rather than the internal degrees of freedom. Herein, we present a "phonostat" algorithm that can regulate the total energy in a given internal degree of...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics (AIP),
2013-07-22T18:48:39Z.
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| Subjects: | |
| Online Access: | Get fulltext |