Structure of Liquid Tin under High Pressure by ab initio molecular-dynamics simulation

Shuji Munejiri (1) , Fuyuki Shimojo (2) , Kozo Hoshino (1) , Andrea Di Cicco (3)

1 Graduate School of Integrated Arts and Sciences, Hiroshima University
2 Kumamoto University
3 CNISM, CNR-INFM SOFT, Dipartimento di Fisica, Universit`a degli Studi di Camerino, Via Madonna delle Carceri

Pressure-induced structural change of liquid tin was studied by constant-pressure ab initio molecular-dynamics simulations from 0 to 4 GPa. We have found that with increasing pressure the liquid tin is not compressed uniformly but very gradually changes from complex anisotropic structures to more simple isotropic close-packed structure.

Domaines: Autre [cond-mat.other]

Shuji Munejiri, Fuyuki Shimojo, Kozo Hoshino, Andrea Di Cicco. Structure of Liquid Tin under High Pressure by ab initio molecular-dynamics simulation. Journal of Physics, 2008, 98, pp.042010. ⟨10.1088/1742-6596/98/4/042010⟩. ⟨hal-00425548⟩