Thermophysical properties of liquid carbon dioxide under shock compressions: Quantum molecular dynamic simulations

Journal of Chemical Physics

Volumn 133, Issue 13, 2010, Pages

  Wang, Cong ^a   Zhang, Ping ^a,b  

^a INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EQUATION OF STATE; HUGONIOT; LIQUID CARBON DIOXIDE; MOLECULAR DISSOCIATION; NONMETAL-METAL TRANSITION; PAIR CORRELATION FUNCTIONS; PRINCIPAL HUGONIOT; QUANTUM MOLECULAR DYNAMICS; SHOCK COMPRESSIONS; SHOCK PRESSURE; THERMO-PHYSICAL PROPERTY;

CARBON DIOXIDE; COMPUTER SIMULATION; ELECTRIC PROPERTIES; EQUATIONS OF STATE OF LIQUIDS; LIQUEFIED GASES; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMIC PROPERTIES;

OPTICAL PROPERTIES;

EID: 79951785937     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3491834     Document Type: Article

References (29)

1. R. Ernstorfer, M. Harb, C. T. Hebeisen, G. Sciaini, T. Dartigalongue, and R. J. D. Miller, Science 0036-8075 323, 1033 (2009). 10.1126/science.1162697
2. M. L. Elert, S. V. Zybin, and C. T. White, J. Chem. Phys. 0021-9606 118, 9795 (2003). 10.1063/1.1571051
3. D. J. Stevenson, Annu. Rev. Earth Planet Sci. 0084-6597 10, 257 (1982). 10.1146/annurev.ea.10.050182.001353
4. R. W. Armstrong, Rev. Adv. Mater. Sci. 1606-5131 19, 13 (2009).
5. S. C. Baber and A. M. Dean, J. Chem. Phys. 0021-9606 60, 307 (1974). 10.1063/1.1680785
6. W. O. Davies, J. Chem. Phys. 0021-9606 43, 2809 (1965). 10.1063/1.1697214
7. Z. Zhang and Z. Duan, J. Chem. Phys. 0021-9606 122, 214507 (2005). 10.1063/1.1924700 (Pubitemid 40902533)
8. V. M. Giordano, F. Datchi, and A. Dewaele, J. Chem. Phys. 0021-9606 125, 054504 (2006). 10.1063/1.2215609 (Pubitemid 44188414)
9. O. Tschauner, H. Mao, and R. J. Hemley, Phys. Rev. Lett. 0031-9007 87, 075701 (2001). 10.1103/PhysRevLett.87.075701
10. J. A. Montoya, R. Rousseau, M. Santoro, F. Gorelli, and S. Scandolo, Phys. Rev. Lett. 0031-9007 100, 163002 (2008). 10.1103/PhysRevLett.100.163002 (Pubitemid 351585509)
11. A. Sengupta and C. Yoo, Phys. Rev. B 0556-2805 80, 014118 (2009). 10.1103/PhysRevB.80.014118
12. G. L. Schott, High Press. Res. 0895-7959 6, 187 (1991). 10.1080/08957959108203209
13. W. J. Nellis, A. C. Mitchell, F. H. Ree, M. Ross, N. C. Holmes, R. J. Trainor, and D. J. Erskine, J. Chem. Phys. 0021-9606 95, 5268 (1991). 10.1063/1.461665
14. M. Bastea, C. Mitchell, and W. J. Nellis, Phys. Rev. Lett. 0031-9007 86, 3108 (2001). 10.1103/PhysRevLett.86.3108 (Pubitemid 32317873)
15. C. Wang and P. Zhang, J. Chem. Phys. 0021-9606 132, 154307 (2010). 10.1063/1.3402497
16. C. Wang and P. Zhang, J. Appl. Phys. 0021-8979 107, 083502 (2010). 10.1063/1.3380593
17. B. Militzer, Phys. Rev. Lett. 0031-9007 97, 175501 (2006). 10.1103/PhysRevLett.97.175501 (Pubitemid 44631156)
18. V. Recoules, F. Lambert, A. Decoster, B. Canaud, and J. Cĺrouin, Phys. Rev. Lett. 0031-9007 102, 075002 (2009). 10.1103/PhysRevLett.102.075002
19. S. Mazevet, J. D. Kress, L. A. Collins, and P. Blottiau, Phys. Rev. B 0556-2805 67, 054201 (2003). 10.1103/PhysRevB.67.054201
20. B. Militzer, F. Gygi, and G. Galli, Phys. Rev. Lett. 0031-9007 91, 265503 (2003). 10.1103/PhysRevLett.91.265503
21. T. Oda, K. Sugimori, H. Nagao, I. Hamada, S. Kagayama, M. Geshi, H. Nagara, K. Kusakabe, and N. Suzuki, J. Phys.: Condens. Matter 0953-8984 19, 365211 (2007). 10.1088/0953-8984/19/36/365211 (Pubitemid 47413413)
22. G. Kresse and J. Hafner, Phys. Rev. B 0556-2805 47, R558 (1993). 10.1103/PhysRevB.47.558
23. G. Kresse and J. Furthmüller, Phys. Rev. B 0556-2805 54, 11169 (1996). 10.1103/PhysRevB.54.11169
24. T. Lenosky, S. Bickham, J. Kress, and L. Collins, Phys. Rev. B 0556-2805 61, 1 (2000). 10.1103/PhysRevB.61.1
25. J. P. Perdew, Electronic Structure of Solids (Akademie, Berlin, 1991).
26. P. E. Blöchl, Phys. Rev. B 0556-2805 50, 17953 (1994). 10.1103/PhysRevB.50.17953
27. S. Noś, J. Chem. Phys. 0021-9606 81, 511 (1984). 10.1063/1.447334
28. M. Bastea, Phys. Rev. Lett. 0031-9007 92, 129601 (2004). 10.1103/PhysRevLett.92.129601
29. R. Chau, A. C. Mitchell, R. W. Minich, and W. J. Nellis, Phys. Rev. Lett. 0031-9007 92, 129602 (2004). 10.1103/PhysRevLett.92.129602