Abstract




 
   

Vol. 2, No. 1&2 (May 1989) 5-13   

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  MOLECULAR DYNAMICS SIMULATION OF POTASSIUM CHLORIDE MELTING(.I. MICROCRYSTAL SIMULATION AND SAMPLE SIZE EFFECT)
 

S. Mohammad Amini

Department of Physics Isfehan University of Technology
Isfehan, Iran

 
( Received: November 1988 )
 
 

Abstract    The effect of sample size on the melting parameter of simulated potassium chloride microcrystal is investigated by molecular dynamics simulation. The size of microcrystal is varied from 8 to 4096 ions. The increase in melting temperature with sample size was found to be in good agreement with the theory.

 
 

References   

1. Lindemann, F. A., Physik, Z., Vol. 11, No. 609, (1910).

2. Ross M., Phys. Rev., Vol. 184, No. 233, (1969).

3. Hoover, W. G. and Ross, M., Contemp. Phys., Vol. 12, No. 339, (1971).

4. Ishizaki, K., Bolsaitis, P. and Spain, I. L., Solid St. Commun., Vol. 15, No. 1591, (1974).

5. Born, M., J. Chem. Phys., Vol. 7, No. 591, (1939).

6. Cotteril, R. M. J., Jensen, E. J., Kristensen, W. D., Partsch, R. and Esbjorn P. O., J. Phys., (Paris), Vol. 36, C2, (1975).

7. Ubbelohde, A. R., “The Molten State of Matter”, Wiley, New York, (1978).

8. Hoover, W. G. and Ree, F. H., J. Chem. Phys., Vol. 49, No. 3609, (1968).

9. Hoover, W. G., Ross, M., Jhoson, K.W., Henderson, D., Barker, J. A. and Brown, B. C., J. Chem. Phys., Vol. 52, No. 4931, (1970).

10. Hoover, W. G., Gary, S. G. and Johnson, K. W., J. Chem. Phys., Vol. 55, No. 1128, (1971).

11. Cotterill, R. M. J. and Pedersen, L. B., Solid State Commun, Vol. 10, No. 439, (1972).

12. Cotterill, R. M. J., Kristensen, W. D., Martin, J. W., Pedersen, L. B. and Jensen, E. J., Computer Phys. Commun., Vol. 5, No. 28, (1973).

13. Briant, C. L. and Burton, J. J., J. Chem. Phys., Vol. 63, No. 2045, (1975).

14. Hockney, R. W. and Geol, S. P., J. Chem. Phys., Vol. 35, No. 500, (1975).

15. Woodcock, L. V., Proc. R. Soc. London, A348, Vol. 187, (1976).

16. Amini, M. and Hockney, R. W., J. Non-Crystalline Solids, Vol. 31, No. 447, (1979).

17. Amini M. and Fincham D. and Hockney R. W., J. Phys. C, Vol. 12, No.4707, (1979).

18. Amini, M. and Fincham, D. and Hockney R. W., J. Phys. C, Vol. 13, L 221, (1980).

19. Alder, B. J. and Wainwright, T. E., J. Chem. Phys., Vol. 27, No. 1208, (1957).

20. Alder, B. J. and Wainwright, T. E., J. Chem. Phys., Vol. 31, No. 459, (1959).

21. Barker, J. A. and Henderson, D., Rev. Mod. Phys, Vol. 48, No. 578, (1976).

22. Fincham, D., in “Dynamical Processes in Condensed Matter”, Evans, , M. W., Jhon Wiley and Sons, (1985), 493-575.

23. Hockney, R. W. and Eastwood, J. W., “Computer Simulation Using Particles”, McGraw-Hill, (1981).

24. Ciccotti, G. and Hoover, W. G., “Molecular Dynamics Simulation of Statistical-Mechanical Systems”, Proceedings of the international school of physics, North-Holland, (1986).

25. Allen, M. P. and Tildsley, D. J., “Computer Simulation of Liquids”, Clarendon Press, Oxford, (1987).

26. Amini, M., Eastwood, J. W. and Hockney, R. W., Computer Phys. Commun., Vol. 44, No. 83, (1987).

27. Eastwood, J. W., Hockney, R. W. and Lawrence, D., Computer Phys. Commun., Vol. 19, No. 215, (1980).

28. Berendsen, H. J., Postma, J. P. M., Gunsteren, W. F. Van., Nola A. Di. and Haak, J. R., J. Chem. Phys., Vol. 81, No. 3684, (1984).

29. Damgaard Kristensen, W., Jensen, E. J. and Cotterill, R. M. J., J. Chem. Phys., Vol. 60, No. 4161, (1974).

30. Sambles, J. R., Proc. R. Soc. London, A 324, 339, (1971).

31. Peppiatt, S. J. and Sambles, J. R., Proc. R. Soc. London, A345, 387, (1975).

32. Buffat, P. H. and Borel, J. P., Phys. Rev., A13, 2287, (1976).

33. Coombes, C. J., J. Phys. F, Vol. 2, No. 441, (1972).

34. Couchman, P. R. and Jesser, W. A., Phil. Mag., Vol. 35, No. 787, (1977).


35. Couchman, P. R. and Jesser, W. A., Nature, Vol. 269, No. 481, (1977).

36. Couchman, P. R., Phil. Mag. A, Vol. 40, No. 637, (1979).





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