| Publication Type |
journal article |
| School or College |
College of Engineering |
| Department |
Materials Science & Engineering |
| Program |
Center for the Simulation of Accidental Fires and Explosions (C-SAFE) |
| Creator |
Bedrov, Dmitro; Smith, Grant D. |
| Title |
Thermal conductivity of molecular fluids from molecular dynamics simulations: application of a new imposed-flux method |
| Date |
2000 |
| Description |
We have applied a new nonequilibrium molecular dynamics (NEMD) method [F. Müller-Plathe, J. Chem. Phys. 106, 6082 (1997)] previously applied to monatomic Lennard-Jones fluids in the determination of the thermal conductivity of molecular fluids. The method was modified in order to be applicable to systems with holonomic constraints. |
| Type |
Text |
| Publisher |
American Institute of Physics (AIP) |
| Journal Title |
The Journal of Chemical Physics |
| Volume |
113 |
| Issue |
18 |
| First Page |
8080 |
| Last Page |
8084 |
| DOI |
10.1063/1.1312309 |
| citatation_issn |
219606 |
| Subject |
Thermal conductivity; Molecular fluids; Heat flux; Imposed-flux NEMD method |
| Subject LCSH |
Molecular dynamics -- Computer simulation; Fluid dynamics -- Computer simulation |
| Language |
eng |
| Bibliographic Citation |
Bedrov, D., & Smith, G. D. (2000). Thermal conductivity of molecular fluids from molecular dynamics simulations: application of a new imposed-flux method. Journal of Chemical Physics, 113(18), 8080-4. |
| Rights Management |
©American Institute of Physics. The following article appeared in Bedrov, D., & Smith, G. D., Journal of Chemical Physics, 113 |
| Format Medium |
application/pdf |
| Format Extent |
69,766 bytes |
| Identifier |
ir-main,7054 |
| ARK |
ark:/87278/s6kw604t |
| Setname |
ir_uspace |
| ID |
702409 |
| Reference URL |
https://collections.lib.utah.edu/ark:/87278/s6kw604t |
