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Constant entropy sampling and release waves of shock compressions
Phys. Rev. E 80, 021135 – Published 31 August, 2009
DOI: https://doi.org/10.1103/PhysRevE.80.021135
Abstract
We present or recall several equilibrium methods that allow one to compute isentropic processes, either during the compression or the release of the material. These methods are applied to compute the isentropic release of a shocked monoatomic liquid at high pressure and temperature. Moreover, equilibrium results of isentropic release are compared to the direct nonequilibrium simulation of the same process. We show that due to the viscosity of the liquid but also to nonequilibrium effects, the release of the system is not strictly isentropic.
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References (33)
- D. Tasker, J. H. Goforth, H. Oona, J. King, D. Herrera, and D. Torres, Proceedings of the AIP Conference Shock Compression and Condensed Matter, Portland, Oregon, 2003.
- D. Tasker, J. Goforth, H. Oona, P. Rigg, D. Koller, J. King, D. Herrera, D. Torres, F. Sena, F. Abeyta et al., Proceedings of the AIP Conference Shock Compression and Condensed Matter, Baltimore, Maryland, 2005.
- G. Lyzenga and T. Ahrens, Proceedings of the AIP Conference Shock Compression and Condensed Matter, Menlo Park, California, 1981.
- L. Barker, Proceedings of the AIP Conference Shock Compression and Condensed Matter, Santa Fe, New Mexico, 1983.
- M. Perez, J. Phys. Colloq. 49, 713 (1988).
- J. Nguyen, D. Orlikowski, F. Streitz, N. Holmes, and J. Moriarty, J. Appl. Phys. 100, 023508 (2006).
- J. Barnes, P. Blewett, R. McQueen, K. Meyer, and D. Venable, J. Appl. Phys. 45, 727 (1974).
- V. Tsypkin, V. Mineev, A. Ivanov, V. Svidinskii, and B. Rozhdestvenskii, Sov. Phys. Tech. Phys. 20, 387 (1975).
- D. Frenkel and B. Smit, Understanding Molecular Simulation—From Algorithms to Applications (Academic Press, New York, 2002).
- M. Allen and D. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
- B. Holian and P. Lomdahl, Science 280, 2085 (1998).
- J.-B. Maillet, M. Mareschal, L. Soulard, R. Ravelo, P. S. Lomdahl, T. C. Germann, and B. L. Holian, Phys. Rev. E 63, 016121 (2000).
- J.-B. Maillet and G. Stoltz, Appl. Math. Res. Express 2008, abn004 (2009).
- E. Bourasseau, V. Dubois, N. Desbiens, and J.-B. Maillet, J. Chem. Phys. 127, 084513 (2007).
- S. Bernard and J.-B. Maillet, Phys. Rev. B 66, 012103 (2002).
- L. Verlet, Phys. Rev.159, 98 (1967).
- J. Thouvenin, Détonique (CEA, Paris, 1997).
- M. Desjarlais, Workshop on accelerator-driven warm dense matter, 2006.
- D. Kofke and P. T. Cummings, Mol. Phys. 92, 973 (1997).
- W. Smith, M. Lísal, and I. Nezbeda, Chem. Phys. Lett. 426, 436 (2006).
- H. Flyvberg and H. G. Petersen, J. Chem. Phys. 91, 461 (1989).
- J.-B. Maillet and G. Stoltz, e-print arXiv:0807.0558.
- W. Fickett and W. Davis, Detonation (Dover Publication, New York, 1979).
- A. Brünger, C. L. Brooks, and M. Karplus, Chem. Phys. Lett. 105, 495 (1984).
- S. Nosé, J. Chem. Phys. 81, 511 (1984).
- W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
- N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
- W. K. Hastings, Biometrika 57, 97 (1970).
- E. Cancès, F. Legoll, and G. Stoltz, Math. Modell. Numer. Anal. 41, 351 (2007).
- J. G. Kirkwood, J. Chem. Phys. 3, 300 (1935).
- M. Lagache, P. Ungerer, A. Boutin, and A. Fuchs, Phys. Chem. Chem. Phys. 3, 4333 (2001).
- Since the Hugoniot curve and the isentrope are close enough, we assume that the impact of the viscosity has roughly the same amplitude on the isentrope curve.
- The Monte Carlo Gibbs code is owned by the Institut Francais du Pétrole, the Université Paris-Sud, and the CNRS, and developed in collaboration with the CEA.