Molecular Dynamics Simulation Study of the Behavior of Molecular Crystal Tin Tetraiodide under Hydrostatic Pressure
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概要
- 論文の詳細を見る
Isotherrnal-isobaric molecular dynamics sizntrlations of ttaoJectnIar crystal S1114 are carried outbased on a model consisting of rigid tetrahedral tnolecuJes interacting via van der Waals forces.The behavior of the crystal ttpon 2111 increase in presstmre is satisfactorily reprodtrced on bothmicroscopic and macroscopic scales in the presstrre reginae in which the low-presstrre phase isstable. In partictrlar the conapression cvrrve obtainaed is in excellent agreeunent with the experimentally determined one. Upon ftnrther iu'rcrease in pressure, however, no syunnaetry change isdetected in the present sitnulations over the pressure reginre in which the phase transformationand the subseqtrent solid state a?aaorphization are experirnentally found to t?tke place.
- 社団法人日本物理学会の論文
- 1997-06-15
著者
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FUJII Yasuhiko
Neutron Scattering Laboratory,Institute for Solid State Physics,The University of Tokyo
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ISOBE Masaharu
Department of Physics,Kyushu University
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HAMAYA Nozomu
Department of Physics, Ochanomizu University
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Sato Kyoko
Department of Medicine and Geriatrics, Kochi Medical School
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FUCHIZAKI Kazuhiro
Department of Physics, Ehime University
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Fujii Yasuhiko
Neutron Scattering Laboratory Issp The University Of Tokyo
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Hamaya Nozomu
Department Of Physics Ochanomizu University
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Isobe Masaharu
Department Of Cell Technology School Of Technology University Of Toyama
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Sato Kyoko
Department Of Physics Ochanomizu University
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Fuchizaki Kazuhiro
Department Of Physics Ehime University
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Sato Kyoko
Department Of Applied Chemistry Faculty Of Engineering Toyo University
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HAMAYA Nozomu
Department of Physics,Ochanomizu University
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