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. |
Other Author |
Sewell, Thomas D. |
Title |
Temperature dependent shear viscosity coefficient of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX ): a molecular dynamics simulation study |
Date |
2000 |
Description |
Equilibrium molecular dynamics methods were used in conjunction with linear response theory and a recently published potential-energy surface [J. Phys. Chem. B 103, 3570 (1999)] to compute the liquid shear viscosity and self-diffusion coefficient of the high explosive HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) over the temperature domain 550-800 K. Predicted values of the shear viscosity range from 0.0055 Pa *s at the highest temperature studied up to 0.45 Pa *s for temperatures near the melting point. |
Type |
Text |
Publisher |
American Institute of Physics (AIP) |
Journal Title |
The Journal of Chemical Physics |
Volume |
112 |
Issue |
16 |
First Page |
7203 |
Last Page |
7208 |
DOI |
10.1063/1.481285 |
citatation_issn |
219606 |
Subject |
Polymer melts; HMX; Shear viscosity coefficient; Plastic-bonded explosives |
Subject LCSH |
Polymer melting; Molecular dynamics -- Computer simulation; Explosives; Thermochemistry |
Language |
eng |
Bibliographic Citation |
Bedrov, D., Smith, G. D., & Sewell, T. D. (2000). Temperature dependent shear viscosity coefficient of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): a molecular dynamics simulation study. Journal of Chemical Physics, 112(16), 7203-8. |
Rights Management |
(c)American Institute of Physics. The following article appeared in Bedrov, D., Smith, G. D., & Sewell, T. D., Journal of Chemical Physics, 112(16), 2000 and may be found at http;//dx.doi.org/10.1063/1.481285. |
Format Medium |
application/pdf |
Format Extent |
135,922 bytes |
Identifier |
ir-main,7055 |
ARK |
ark:/87278/s6r507tq |
Setname |
ir_uspace |
ID |
702318 |
Reference URL |
https://collections.lib.utah.edu/ark:/87278/s6r507tq |