Electrical and thermal conductivity of Al liquid at high pressures and temperatures from ab initio computations

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 18, 2012, Pages

  Vlček, Vojtěch ^a   De Koker, Nico ^a   Steinle Neumann, Gerd ^a  

^a UNIVERSITÄT BAYREUTH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84861179769     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.184201     Document Type: Article

References (46)

1. F. Birch, J. Geophys. Res. JGREA2 0148-0227 10.1029/JZ057i002p00227 57, 227 (1952).
2. B. A. Buffet, Science SCIEAS 0036-8075 10.1126/science.288.5473.2007 288, 2007 (2000). (Pubitemid 30397674)
3. E. Wigner and H. B. Huntington, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1749590 3, 764 (1935).
4. D. J. Stevenson, Earth Planet. Sci. Lett. EPSLA2 0012-821X 10.1016/S0012-821X(02)01126-3 208, 1 (2003). (Pubitemid 36290502)
5. D. Gubbins, Phys. Earth Planet. Inter. PEPIAM 0031-9201 10.1016/S0031-9201(01)00273-4 128, 3 (2001). (Pubitemid 34054617)
6. R. N. Keeler, Physics of High Energy Density (Academic Press, New York, 1971), Vol. 48.
7. Y. Bi, H. Tan, and F. Jing, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/44/389 14, 10849 (2002). (Pubitemid 35401541)
8. A. Balchan and H. Drickamer, Rev. Sci. Instrum. RSINAK 0034-6748 10.1063/1.1717350 32, 308 (1961).
9. R. Reichlin, Rev. Sci. Instrum. RSINAK 0034-6748 10.1063/1.1137308 54, 1674 (1983). (Pubitemid 14503097)
10. F. D. Stacey and O. L. Anderson, Phys. Earth Planet. Inter. PEPIAM 0031-9201 10.1016/S0031-9201(01)00186-8 124, 16382 (2001). (Pubitemid 32710514)
11. F. D. Stacey and D. E. Loper, Phys. Earth Planet. Inter. PEPIAM 0031-9201 10.1016/j.pepi.2006.12.001 161, 13 (2007). (Pubitemid 46464556)
12. R. N. Keeler and A. C. Mitchel, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(69)90397-4 7, 271 (1969).
13. F. Nimmo, Treatise Geophys. 9780-4445 10.1016/B978-044452748-6/00147-4 9, 217 (2007).
14. B. A. Buffet, Science SCIEAS 0036-8075 10.1126/science.1081518 299, 1675 (2003).
15. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976).
16. P. L. Silvestrelli, A. Alavi, and M. Parrinello, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.55.15515 55, 15515 (1997).
17. P. L. Silvestrelli, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60. 16382 60, 16382 (1999).
18. M. P. Desjarlais, J. D. Kress, and L. A. Collins, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.66.025401 66, 025401 (2002). (Pubitemid 40618693)
19. F. Knider, J. Hugel, and A. V. Postnikov, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/19/196105 19, 196105 (2007). (Pubitemid 46774744)
20. V. Recoules, P. Renaudin, J. Clérouin, P. Noiret, and G. Zérah, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.66.056412 66, 056412 (2002). (Pubitemid 40618588)
21. J. Clérouin, P. Renaudin, V. Recoules, P. Noiret, and M. P. Desjarlais, Contrib. Plasma Phys. CPPHEP 0863-1042 10.1002/ctpp.200310024 43, 269 (2003).
22. V. Recoules and J. P. Crocombette, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.104202 72, 104202 (2005). (Pubitemid 43022371)
23. M. Pozzo, M. P. Desjarlais, and D. Alfè, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.054203 84, 054203 (2011).
24. D. A. Greenwood, Proc. Phys. Soc. PPSOAU 0370-1328 10.1088/0370-1328/71/ 4/306 71, 585 (1958).
25. P. Hohenberg and W. Kohn, Phys. Rev. 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
26. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
27. G. R. Gathers, Int. J. Thermophys. IJTHDY 0195-928X 10.1007/BF00502353 4, 209 (1983).
28. A. N. Mostovych and Y. Chan, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.5094 79, 5094 (1997).
29. L. Vočadlo and D. Alfè, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.214105 65, 214105 (2002).
30. M. J. Tambe, N. Bonini, and N. Marzari, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.172102 77, 172102 (2008).
31. L. Onsager, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.37.405 37, 405 (1931).
32. B. Holst, M. French, and R. Redmer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.235120 83, 235120 (2011).
33. X. Gonze, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.558.65066 220, 558 (2005). (Pubitemid 40778240)
34. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
36. M. J. Assael, K. Kakosimos, R. M. Banish, J. Brillo, I. Egry, R. Brooks, P. N. Quested, K. C. Mills, A. Nagashima, Y. Sato, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 10.1063/1.2149380 35, 285 (2006). (Pubitemid 44362270)
37. S. Nose, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447334 81, 511 (1984).
38. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
39. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
40. Y. S. Touloukian, Thermal Conductivity, Metallic Elements and Alloys, Thermophysical Properties of Matter Vol. 1: Thermal conductivity of metallic elements and alloys (IFI/Plenum, New York, 1970).
41. D. A. Young, Phase Diagrams of the Elements (University of California Press, Berkeley, CA, 1991).
42. A. M. Dziewonski and D. L. Anderson, Phys. Earth Planet. Inter. 0031-9201 10.1016/0031-9201(81)90046-7 25, 297 (1981).
43. D. Alfè, G. D. Price, and M. J. Gillan, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/j.jpcs.2003.12.014 65, 1573 (2004).
44. N. de Koker and L. Stixrude, Geophys. J. Int. GJINEA 0956-540X 10.1111/j.1365-246X.2009.04142.x 178, 162 (2009).
45. H. P. D. R. Stull, JANAF Thermochemical Tables, 2nd ed. (Dow Chemical Company, Thermal Research Laboratory, Washington, DC, 1971).
46. L. F. Mondolfo, Aluminum Alloys: Structure and Properties (Butterworths, London, 1976).