Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 5, 2005, Pages

  Mosey, Nicholas J ^a   Woo, Tom K ^a   Müser, Martin H ^a  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33644943978     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.054124     Document Type: Article

References (25)

1. V. F. Buchwald, in Phosphate Minerals, edited by, J. O. Nriagu, and, P. B. Moore, (Springer-Verlag, Berlin, 1984), pp. 199-214.
2. X. Xie, M. Minitti, M. Chen, H. Mao, D. Wang, J. Shu, and Y. Fei, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/S0016-7037(02)00833-5 66, 2439 (2002).
3. E. Salje, A. Graemebarber, M. A. Carpenter, and U. Bismayer, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 10.1107/S0108768192008127 49, 387 (1993).
4. A. Matsuo, K. Irokoawa, M. Komukae, T. Osaka, and Y. Makita, J. Phys. Soc. Jpn. JUPSAU 0031-9015 63, 1626 (1994).
5. M. A. Nicholls, T. Do, P. R. Norton, M. Kasrai, and G. M. Bancroft, Tribol. Int. TRBIBK 0301-679X 38, 15 (2005).
6. M. A. Nicholls, G. M. Bancroft, P. R. Norton, M. Kasrai, G. De Stasio, B. H. Frazer, and L. M. Wiese, Tribol. Lett. TRLEFS 1023-8883 10.1023/B:TRIL. 0000032451.97552.3d 17, 245 (2004).
7. P. A. Willermet, D. P. Dailey, R. O. Carter III, P. J. Schmitz, and W. Zhu, Tribol. Int. TRBIBK 0301-679X 10.1016/0301-679X(95)98965-G 28, 177 (1995).
8. N. J. Mosey, M. H. Müser, and T. K. Woo, Science SCIEAS 0036-8075 10.1126/science.1107895 307, 1612 (2005).
9. Y. Enomoto and T. Tamamoto, Tribol. Lett. TRLEFS 1023-8883 10.1023/A:1019100531912 5, 13 (1998).
10. N. J. Mosey, T. K. Woo, M. Kasrai, P. R. Norton, G. M. Bancroft, and M. H. Müser, Tribol. Lett. TRLEFS 1023-8883 (to be published).
11. M. A. Wimmer, C. Sprecher, R. Hauert, G. Täger, and A. Fischer, Wear WEARCJ 0043-1648 10.1016/S0043-1648(03)00127-3 255, 1007 (2003).
12. G. M. Chateauneuf, P. T. Mikulski, G.-T. Gao, and J. A. Harrison, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp048077n 108, 16626 (2004).
13. J. Hütter, CPMD, Copyright IBM Zürich Research Laboratory and MPI für Festkörperforschung 1995-2001.
14. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
15. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
16. R. G. Craig and F. A. Peyton, J. Dent. Res. JDREAF 0022-0345 40, 411 (1961).
17. M. A. Nicholls, P. R. Norton, G. M. Bancroft, M. Kasrai, T. Do, B. H. Frazer, and G. De Stasio, Tribol. Lett. TRLEFS 1023-8883 10.1023/B:TRIL. 0000032447.32442.6a 17, 205 (2004).
18. M. H. Müser, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 89.224301 89, 224301 (2002).
19. M. Aichele and M. H. Müser, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.68.016125 68, 016125 (2003).
20. C. M. Mate, G. M. McClelland, R. Erlandsson, and S. Chiang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.59.1942 59, 1942 (1987).
21. M. H. Müser, Materialwiss. Werkstofftech. MATWER 0933-5137 35, 603 (2005).
22. G. He and M. O. Robbins, Tribol. Lett. TRLEFS 1023-8883 10.1023/A:1009030413641 10, 7 (2001).
23. D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Ni, and S. B. Sinnott, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/ 4/312 14, 783 (2002).
24. J. R. Van Wazer and K. A. Hoist, J. Am. Chem. Soc. JACSAT 0002-7863 72, 639 (1950).
25. M. Abdelmaksoud, J. W. Bender, and J. Krim, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.176101 92, 176101 (2004).