Pressure-Induced Structural Change of Liquid Carbon Studied by Ab Initio Molecular-Dynamics Simulations

Akiko Harada; Fuyuki Shimojo; Kozo Hoshino

doi:10.1143/jpsj.74.2017

Pressure-Induced Structural Change of Liquid Carbon Studied by Ab Initio Molecular-Dynamics Simulations

Journal of the Physical Society of Japan ◽

10.1143/jpsj.74.2017 ◽

2005 ◽

Vol 74 (7) ◽

pp. 2017-2024 ◽

Cited By ~ 9

Author(s):

Akiko Harada ◽

Fuyuki Shimojo ◽

Kozo Hoshino

Keyword(s):

Molecular Dynamics ◽

Structural Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Liquid Carbon ◽

Dynamics Simulations

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Pressure-induced structural change of liquid carbon: Ab initio molecular-dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2007.04.033 ◽

2007 ◽

Vol 353 (32-40) ◽

pp. 3519-3522 ◽

Cited By ~ 8

Author(s):

Akiko Harada ◽

Fuyuki Shimojo ◽

Kozo Hoshino

Keyword(s):

Molecular Dynamics ◽

Structural Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Liquid Carbon ◽

Dynamics Simulations

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Structural change of liquid Si15Te85 and Si20Te80 with temperature: Ab initio molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2009.06.025 ◽

2009 ◽

Vol 355 (34-36) ◽

pp. 1687-1692 ◽

Cited By ~ 2

Author(s):

Y.B. Wang ◽

G. Zhao ◽

Z.G. Zhu

Keyword(s):

Molecular Dynamics ◽

Structural Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Ab initio molecular dynamics simulations on the structural change of liquid eutectic alloy Si15Te85 from 673 to 1373k

Physica B Condensed Matter ◽

10.1016/j.physb.2009.10.002 ◽

2010 ◽

Vol 405 (2) ◽

pp. 785-792 ◽

Cited By ~ 6

Author(s):

Yubing Wang ◽

Gang Zhao ◽

Changsong Liu ◽

Zhengang Zhu

Keyword(s):

Molecular Dynamics ◽

Structural Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Eutectic Alloy ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Ab initio molecular dynamics simulations on structural change of supercooled liquid Si at different temperatures from 1700 to 1100K

Physica B Condensed Matter ◽

10.1016/j.physb.2011.07.062 ◽

2011 ◽

Vol 406 (21) ◽

pp. 3991-3996 ◽

Cited By ~ 3

Author(s):

Yubing Wang ◽

Gang Zhao ◽

Changsong Liu ◽

Zhengang Zhu

Keyword(s):

Molecular Dynamics ◽

Structural Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Supercooled Liquid ◽

Ab Initio Molecular Dynamics ◽

Different Temperatures ◽

Dynamics Simulations

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Ab initio molecular dynamics simulations of structural change in liquid Se30Te70 from low- to high-density phases

Physica B Condensed Matter ◽

10.1016/j.physb.2010.05.002 ◽

2010 ◽

Vol 405 (16) ◽

pp. 3342-3349 ◽

Cited By ~ 3

Author(s):

Gang Zhao ◽

Yue Zhao ◽

Yubing Wang ◽

Haifeng Mu

Keyword(s):

Molecular Dynamics ◽

Structural Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

High Density ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Thermodynamic stability of magnetic states of monovacancy in graphene revealed by ab initio molecular dynamics simulations

Scientific Reports ◽

10.1038/s41598-018-37333-9 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 3

Author(s):

Fei Gao ◽

Shiwu Gao

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Thermodynamic Stability ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations ◽

Magnetic States

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The Nature of [PdCl2(C2H4)(H2O)] as an Active Species in the Wacker Process: New Insights from Ab Initio Molecular Dynamics Simulations

Chemistry - A European Journal ◽

10.1002/chem.201102138 ◽

2012 ◽

Vol 18 (18) ◽

pp. 5612-5619 ◽

Cited By ~ 25

Author(s):

Gábor Kovács ◽

András Stirling ◽

Agustí Lledós ◽

Gregori Ujaque

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Active Species ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Ab-Initio Molecular Dynamics Simulations of Molten Ni-Based Superalloys

2006 HPCMP Users Group Conference (HPCMP-UGC'06) ◽

10.1109/hpcmp-ugc.2006.1 ◽

2006 ◽

Author(s):

Mark Asta ◽

Dallas Trinkle ◽

Christopher Woodward

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Time-temperature-transformation and continuous-heating-transformation diagrams of GeSb2Te4 from nanosecond-long ab initio molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2016.09.011 ◽

2016 ◽

Vol 121 ◽

pp. 257-265 ◽

Cited By ~ 11

Author(s):

Kewu Bai ◽

Teck L. Tan ◽

Paulo S. Branicio ◽

Michael B. Sullivan

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Continuous Heating ◽

Temperature Transformation ◽

Transformation Diagrams ◽

Dynamics Simulations

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