Molecular dynamics simulations of shock waves using the absorbing boundary condition: A case study of methane

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 22, 2007, Pages

  Bolesta, Alexey V ^a,c   Zheng, Lianqing ^a,d   Thompson, Donald L ^a   Sewell, Thomas D ^b  

^a UNIVERSITY OF MISSOURI   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c KHRISTIANOVICH INSTITUTE OF THEORETICAL AND APPLIED MECHANICS   (Russian Federation)

^d FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 37249004330     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.224108     Document Type: Article

References (26)

1. B. L. Holian, Shock Waves SHWAEN 0938-1287 10.1007/BF01435522 5, 149 (1995);
2. B. L. Holian, Shock Waves SHWAEN 0938-1287 10.1007/s00193-004-0226-5 13, 489 (2004).
3. E. M. Bringa, K. Rosolankova, R. E. Rudd, B. A. Remington, J. S. Wark, M. Duchaineau, D. H. Kalantar, J. Hawreliak, and J. Belak, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1735 5, 805 (2006).
4. K. Kadau, T. C. Germann, P. S. Lomdahl, and B. L. Holian, Science SCIEAS 0036-8075 10.1126/science.1070375 296, 1681 (2002).
5. B. L. Holian, T. C. Germann, J.-B. Maillet, and C. T. White, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.285501 89, 285501 (2002).
6. A. J. Heim, N. Gronbech-Jensen, T. C. Germann, E. M. Kober, B. L. Holian, and P. S. Lomdahl, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.76.026318 76, 026318 (2007).
7. T. C. Germann, B. L. Holian, K. Kadau, and P. S. Lomdahl, Lecture Series in Computer and Computational Sciences (VSP BV, AH Zeist, Netherlands, 2005), Vol. 4A-4B, p. 1138.
8. A. Strachan, A. C. T. van Duin, D. Chakraborty, S. Dasgupta, and W. A. Goddard III, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.098301 91, 098301 (2003).
9. J.-B. Maillet, M. Mareschal, L. Soulard, R. Ravelo, P. S. Lomdahl, T. C. Germann, and B. L. Holian, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.63. 016121 63, 016121 (2000).
10. E. J. Reed, L. E. Fried, and J. D. Joannopoulos, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.235503 90, 235503 (2003).
11. E. J. Reed, L. E. Fried, M. R. Manaa, and J. D. Joannopoulos, in Chemistry at Extreme Conditions, edited by, M. R. Manaa, (Elsevier, New York, 2005), pp. 297-328.
12. R. Ravelo, B. L. Holian, T. C. Germann, and P. S. Lomdahl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.014103 70, 014103 (2004).
13. F. Barmes, L. Soulard, and M. Mareschal, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.224108 73, 224108 (2006).
14. V. V. Zhakhovskiǐ, S. V. Zybin, K. Nishihara, and S. I. Anisimov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.1175 83, 1175 (1999).
15. S. Zhao, T. C. Germann, and A. Strachan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2359438 125, 164707 (2006).
16. S. J. Stuart, A. B. Tutein, and J. A. Harrison, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481208 112, 6472 (2000).
17. D. W. Brenner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.9458 42, 9458 (1990).
18. J. A. Viecelli and J. N. Glosli, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1522395 117, 11352 (2002).
19. M. L. Elert, S. V. Zybin, and C. T. White, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1571051 118, 9795 (2003).
20. M. L. Elert, S. V. Zybin, and C. T. White, in Chemistry at Extreme Conditions, edited by, M. R. Manaa, (Elsevier, New York, 2005), pp. 351-368.
21. R. M. Hazen, H. K. Mao, L. W. Finger, and P. M. Bell, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.91909 37, 288 (1980).
22. W. J. Nellis, F. H. Ree, M. van Thiel, and A. C. Mitchell, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442401 75, 3055 (1981).
23. H. B. Radousky, A. C. Mitchell, and W. J. Nellis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459302 93, 8235 (1990).
24. J. D. Kress, S. R. Bickham, L. A. Collins, B. L. Holian, and S. Goedecker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.3896 83, 3896 (1999).
25. W. J. Nellis, D. C. Hamilton, and A. C. Mitchell, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1379537 115, 1015 (2001).
26. L. R. Benedetti, J. H. Nguyen, W. A. Caldwell, H. Liu, M. Kruger, and R. Jeanloz, Science SCIEAS 0036-8075 10.1126/science.286.5437.100 286, 100 (1999).