Melting of cryocrystasls at high pressures. Computer simulation

  • E. Yakub Cybernetics Dept., Odessa National Economic University, 65082, Odessa, Ukraine

Abstract

Two types of molecular dynamics simulations: single-phase and two-phase carried out and applied to determine the melting temperatures of highly compressed diatomic cryocrystals: nitrogen and hydrogen, as functions of pressure. Solid hydrogen was modeled by two approximations (1) non-empirical atom-atom potential (AAP) approximation [1], and diatom-diatom (DDP) approximation. Within AAP-model potential energy of hydrogen molecules is represented as a function of interatomic distances between all atoms as a sum of intramolecular (bonding) and intermolecular (non-bonding) parts. Both types of potentials are expressed via known potential energies of two isolated hydrogen atoms in the singlet and triplet states.

References

1 E. S. Yakub, Physica B: Cond. Mat., 265, 31-38 (1999).

2 E.S. Yakub, Int. J. Thermophys.22, 505 (2001).

3 M.I. Eremets, I.A.Trojan. JETP Lett. 89, 174 (2009).

4 E.S. Yakub, arXiv:1303.3960 (2013).
Published
2015-01-21
How to Cite
YAKUB, E.. Melting of cryocrystasls at high pressures. Computer simulation. Recent Contributions to Physics (Rec.Contr.Phys.), [S.l.], v. 50, n. 3, p. 47-48, jan. 2015. ISSN 2663-2276. Available at: <https://bph.kaznu.kz/index.php/zhuzhu/article/view/815>. Date accessed: 22 oct. 2020.
Section
Condensed Matter Physics and Materials Science Problems. NanoScience

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