Melting of cryocrystals at high pressures. Computer simulation

Simple molecular models were applied to predict melting temperature of highly compressed classical molecular crystals of hydrogen and nitrogen in a wide range of pressures and temperatures using conventional molecular dynamics simulation. It was shown that models which comprise noncentral interact...

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Published in:Физика низких температур
Date:2015
Main Author: Yakub, E.S.
Format: Article
Language:English
Published: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2015
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Online Access:https://nasplib.isofts.kiev.ua/handle/123456789/127830
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Journal Title:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:Melting of cryocrystals at high pressures. Computer simulation / E.S. Yakub // Физика низких температур. — 2015. — Т. 41, № 6. — С. 564-570. — Бібліогр.: 32 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
id nasplib_isofts_kiev_ua-123456789-127830
record_format dspace
spelling Yakub, E.S.
2017-12-28T15:33:03Z
2017-12-28T15:33:03Z
2015
Melting of cryocrystals at high pressures. Computer simulation / E.S. Yakub // Физика низких температур. — 2015. — Т. 41, № 6. — С. 564-570. — Бібліогр.: 32 назв. — англ.
0132-6414
PACS: 67.80.F–, 67.63.Cd, 64.60.Ej, 31.15.xv
https://nasplib.isofts.kiev.ua/handle/123456789/127830
Simple molecular models were applied to predict melting temperature of highly compressed classical molecular crystals of hydrogen and nitrogen in a wide range of pressures and temperatures using conventional molecular dynamics simulation. It was shown that models which comprise noncentral interaction can reproduce turnover of the melting line observed at megabar pressures. We discuss the relation of this effect to the parameters of chemical bonding
en
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
Физика низких температур
10th International Conference on Cryocrystals and Quantum Crystals
Melting of cryocrystals at high pressures. Computer simulation
Article
published earlier
institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
collection DSpace DC
title Melting of cryocrystals at high pressures. Computer simulation
spellingShingle Melting of cryocrystals at high pressures. Computer simulation
Yakub, E.S.
10th International Conference on Cryocrystals and Quantum Crystals
title_short Melting of cryocrystals at high pressures. Computer simulation
title_full Melting of cryocrystals at high pressures. Computer simulation
title_fullStr Melting of cryocrystals at high pressures. Computer simulation
title_full_unstemmed Melting of cryocrystals at high pressures. Computer simulation
title_sort melting of cryocrystals at high pressures. computer simulation
author Yakub, E.S.
author_facet Yakub, E.S.
topic 10th International Conference on Cryocrystals and Quantum Crystals
topic_facet 10th International Conference on Cryocrystals and Quantum Crystals
publishDate 2015
language English
container_title Физика низких температур
publisher Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
format Article
description Simple molecular models were applied to predict melting temperature of highly compressed classical molecular crystals of hydrogen and nitrogen in a wide range of pressures and temperatures using conventional molecular dynamics simulation. It was shown that models which comprise noncentral interaction can reproduce turnover of the melting line observed at megabar pressures. We discuss the relation of this effect to the parameters of chemical bonding
issn 0132-6414
url https://nasplib.isofts.kiev.ua/handle/123456789/127830
citation_txt Melting of cryocrystals at high pressures. Computer simulation / E.S. Yakub // Физика низких температур. — 2015. — Т. 41, № 6. — С. 564-570. — Бібліогр.: 32 назв. — англ.
work_keys_str_mv AT yakubes meltingofcryocrystalsathighpressurescomputersimulation
first_indexed 2025-12-07T17:33:22Z
last_indexed 2025-12-07T17:33:22Z
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