CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2000, Vol. 17 ›› Issue (S1): 1-5.DOI: 10.3969/j.issn.1001-246X.2000.01.002

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CALCULATED HUGONIOT OF PLATINUM TO 1000 Gpa

WANG Yi   

  1. Institute of Applied Physics and Computational Mathematics, Beijing 100088, P R China
  • Received:1999-07-20 Online:2000-12-25 Published:2000-12-25
  • Supported by:
    This work was supported by National PAN-DENG Project(Great No.95-YU-41)

Abstract: Calculated shock-wave compressed properties of metal platinum is presented based on i)the accurate calculations of 0-K total energies with the self-consistent,relativistic,full-potential,and spin-polarized,linearized augmented plane wave method within the local density approximation to exchenge-correlational functional;and ii)the classical mean-field statistics.The calculations of 0-K total energies span a wide fcc lattice constant range of from 6.1 a.u. to 9.9 a.u.Our approach does not invoke any empirical parameters.The experimental Hugoniot is reproduced excellently.

Key words: Hugoniot state, EOS, LAPW, platinum

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