Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

Chong Qiao; Y. R. Guo; Songyou Wang; Yu Jia; Cai-Zhuang Wang; Kai-Ming Ho

doi:10.1039/d0cp00389a

Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/d0cp00389a ◽

2020 ◽

Vol 22 (17) ◽

pp. 9759-9766

Author(s):

Chong Qiao ◽

Y. R. Guo ◽

Songyou Wang ◽

Yu Jia ◽

Cai-Zhuang Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Bond Angle ◽

Supercooled Liquid ◽

Range Order ◽

Ab Initio Molecular Dynamics ◽

Medium Range Order ◽

Medium Range ◽

Dynamics Simulations

The disordered clusters in Ge3Sb2Te6 change to ordered octahedrons by adjustment of the bond-angle relationship as the temperature decreases.

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Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2019.03.197 ◽

2019 ◽

Vol 790 ◽

pp. 675-682 ◽

Cited By ~ 4

Author(s):

Y.R. Guo ◽

Chong Qiao ◽

J.J. Wang ◽

H. Shen ◽

S.Y. Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Range Order ◽

Ab Initio Molecular Dynamics ◽

Medium Range Order ◽

Medium Range ◽

Dynamics Simulations

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Medium-range order in amorphous selenium: Molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.67.104203 ◽

2003 ◽

Vol 67 (10) ◽

Cited By ~ 19

Author(s):

Kazuma Nakamura ◽

Atsushi Ikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Range Order ◽

Amorphous Selenium ◽

Medium Range Order ◽

Medium Range ◽

Dynamics Simulations

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Short-to-medium range order of Al–Mg metallic glasses studied by molecular dynamics simulations

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2011.08.075 ◽

2011 ◽

Vol 509 (42) ◽

pp. 10222-10229 ◽

Cited By ~ 25

Author(s):

C.C. Wang ◽

C.H. Wong

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Metallic Glasses ◽

Range Order ◽

Medium Range Order ◽

Medium Range ◽

Dynamics Simulations

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Bergman-type medium-range order in rapidly quenched Ag0.74Ge0.26 eutectic alloy studied by ab initio molecular dynamics simulation

Acta Materialia ◽

10.1016/j.actamat.2014.06.049 ◽

2014 ◽

Vol 80 ◽

pp. 498-504 ◽

Cited By ~ 9

Author(s):

F.S. Ke ◽

G.Q. Yue ◽

B. Shen ◽

F. Dong ◽

S.Y. Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Eutectic Alloy ◽

Range Order ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Medium Range Order ◽

Medium Range

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Medium-range order in phospho-silicate bioactive glasses: Insights from MAS-NMR spectra, chemical durability experiments and molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2007.06.076 ◽

2008 ◽

Vol 354 (2-9) ◽

pp. 84-89 ◽

Cited By ~ 39

Author(s):

Laura Linati ◽

Gigliola Lusvardi ◽

Gianluca Malavasi ◽

Ledi Menabue ◽

M. Cristina Menziani ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nmr Spectra ◽

Chemical Durability ◽

Mas Nmr ◽

Range Order ◽

Bioactive Glasses ◽

Medium Range Order ◽

Medium Range ◽

Dynamics Simulations

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Intermediate-range order in liquid and amorphous As2S3 by ab initio molecular-dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(02)01759-3 ◽

2002 ◽

Vol 312-314 ◽

pp. 388-391 ◽

Cited By ~ 16

Author(s):

Fuyuki Shimojo ◽

Kozo Hoshino ◽

Y. Zempo

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Range Order ◽

Ab Initio Molecular Dynamics ◽

Intermediate Range ◽

Intermediate Range Order ◽

Dynamics Simulations

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Short to medium range order and atomic dynamic property within the surface of nanoscale metallic glasses revealed by molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2021.121348 ◽

2022 ◽

Vol 578 ◽

pp. 121348

Author(s):

Gongji Yang ◽

Longfei Liu ◽

Jiaojiao Yi ◽

Lingti Kong ◽

Jinfu Li

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamic Property ◽

Metallic Glasses ◽

Range Order ◽

Medium Range Order ◽

Atomic Dynamic ◽

Medium Range ◽

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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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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