Computational study of order-disorder transitions in alloy clusters using the isothermal-isobaric ensemble

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 62, Issue 3, 2000, Pages 033203-033201

  Vicéns, Marie C ^a   López, Gustavo E ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; MELTING; MONTE CARLO METHODS; ORDER DISORDER TRANSITIONS; PHASE EQUILIBRIA; QUANTUM THEORY; SPECIFIC HEAT; TEMPERATURE; TEMPERATURE MEASUREMENT;

CONSTANT PRESSURE HEAT CAPACITY; INTERPARTICLE POTENTIAL; ISOTHERMAL ISOBARIC ENSEMBLE; LENNARD-JONES POTENTIALS; QUANTUM EFFECTS;

PALLADIUM ALLOYS;

EID: 4244195776     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. R. D. Gonzalez, Appl. Surf. Sci. 19, 18 (1984).
2. M. Nieves, I. M. Quintana, and G. E. López, Microchemical J. 55, 254 (1997).
3. G. E. López and D. L. Freeman, J. Chem. Phys. 98, 1428 (1993).
4. R. H. Berry, T. L. Beck, and H. L. Davis, Advances in Chemical Physics (Wiley, New York, 1988).
5. N. Y. Matos and G. E. López, J. Chem. Phys. 109, 1141 (1998).
6. D. D. Frantz, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 93, 2769 (1990).
7. G. E. López, J. Chem. Phys. 104, 6650 (1996).
8. A. J. Acevedo, L. Caballero, and G. E. López, J. Chem. Phys. 106, 7257 (1997).
9. H. P. Cheng, X. Li, R. L. Whetten, and R. S. Berry, Phys. Rev. A 46, 791 (1992).
10. W. Ortiz, A. Perlloni, and G. E. López, Chem. Phys. Lett. 298, 66 (1998).
11. D. D. Frantz, J. Chem. Phys. 105, 10 030 (1996).
12. D. D. Frantz, J. Chem. Phys. 107, 1992 (1997).
13. C. Kittle, Introduction to Solid State Physics, 4th ed. (Wiley, New York, 1971).
14. D. G. Vlachos, L. D. Schmidt, and R. Aris, J. Chem. Phys. 96, 6891 (1992).
15. J. K. Lee, J. A. Barker, and F. F. Abraham, J. Chem. Phys. 58, 3166 (1973).
16. N. Metropolis, A. Rosenbluth, M. N. Rosenbluth, A. Teller, and E. J. Teller, J. Chem, Phys. 21, 1087 (1953).
17. M. H. Kalos and P. A. Whitlock, Monte Carlo Methods (Wiley, New York, 1986).
18. M. P. Allen and J. Tildesley, Computer Simulations of Liquids (Oxford Science, Oxford, 1987).
19. T. L. Hill, An Introduction to Statistical Thermodynamics (Dover, New York, 1986).
20. M. Ocasio and G. E. López, J. Chem. Phys. 112, 3339 (2000).
21. P. Labastie and R. L. Whetten, Phys. Rev. Lett. 65, 1567 (1990).