Exploring the structure of glass-forming liquids using high energy X-ray diffraction, containerless methodology and molecular dynamics simulation

Journal of Non-Crystalline Solids X ◽

10.1016/j.nocx.2019.100027 ◽

2019 ◽

Vol 3 ◽

pp. 100027 ◽

Author(s):

Martin Wilding ◽

Chris Benmore ◽

Rick Weber ◽

Oliver Alderman ◽

Anthony Tamalonis ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

High Energy ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

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An atomistic study of the structural changes in a Zr–Cu–Ni–Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation

Intermetallics ◽

10.1016/j.intermet.2020.106795 ◽

2020 ◽

Vol 122 ◽

pp. 106795

Author(s):

D.V. Louzguine-Luzgin ◽

K. Georgarakis ◽

J. Andrieux ◽

L. Hennet ◽

T. Morishita ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Changes ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

Glass Forming ◽

Atomistic Study

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The structure of liquid calcium aluminates as investigated by neutron and high-energy x-ray diffraction in combination with molecular dynamics simulation methods

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/24/9/099501 ◽

2012 ◽

Vol 24 (9) ◽

pp. 099501 ◽

Author(s):

James W E Drewitt ◽

Sandro Jahn ◽

Viviana Cristiglio ◽

Aleksei Bytchkov ◽

Marlène Leydier ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

High Energy ◽

Dynamics Simulation ◽

Simulation Methods ◽

X Ray Diffraction ◽

X Ray ◽

Calcium Aluminates ◽

Liquid Calcium ◽

Structure Of Liquid

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The structure of liquid calcium aluminates as investigated using neutron and high energy x-ray diffraction in combination with molecular dynamics simulation methods

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/23/15/155101 ◽

2011 ◽

Vol 23 (15) ◽

pp. 155101 ◽

Author(s):

James W E Drewitt ◽

Sandro Jahn ◽

Viviana Cristiglio ◽

Aleksei Bytchkov ◽

Marlène Leydier ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

High Energy ◽

Dynamics Simulation ◽

Simulation Methods ◽

X Ray Diffraction ◽

X Ray ◽

Calcium Aluminates ◽

Liquid Calcium ◽

Structure Of Liquid

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X-ray diffraction "fingerprinting" of DNA structure in solution for quantitative evaluation of molecular dynamics simulation

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.0600022103 ◽

2006 ◽

Vol 103 (10) ◽

pp. 3534-3539 ◽

Author(s):

X. Zuo ◽

G. Cui ◽

K. M. Merz ◽

L. Zhang ◽

F. D. Lewis ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Quantitative Evaluation ◽

Dna Structure ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

Structure In Solution

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Structural study of molten pseudo-binary B2O3Na2O · 2SiO2 system by X-ray diffraction and molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(05)80568-x ◽

1992 ◽

Vol 143 ◽

pp. 201-206 ◽

Author(s):

Hiroshi Ogawa ◽

Kazumasa Sugiyama ◽

Yoshio Waseda ◽

Yutaka Shiraishi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Study ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

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Structural analysis of a molten (Li-Na-K)Cl mixture of the eutectic composition by means of X-ray diffraction and molecular dynamics simulation.

NIPPON KAGAKU KAISHI ◽

10.1246/nikkashi.1986.1492 ◽

1986 ◽

pp. 1492-1500 ◽

Author(s):

Akira ENDOH ◽

Toshio YAMAGUCHI ◽

Isao OKADA ◽

Hitoshi OHTAKI

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Analysis ◽

Eutectic Composition ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

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Structure of Hydrated Crystal (Lc), Tilted Gel (Lβ′), and Liquid Crystal (Lα) Phases of Linear Alkylbenzene Sulfonate (LAS) Studied by X-ray Diffraction and Molecular Dynamics Simulation

Langmuir ◽

10.1021/acs.langmuir.9b01199 ◽

2019 ◽

Vol 35 (27) ◽

pp. 9011-9019 ◽

Author(s):

Kosuke Takeda ◽

Yoshimichi Andoh ◽

Wataru Shinoda ◽

Susumu Okazaki

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulation ◽

Linear Alkylbenzene Sulfonate ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

Linear Alkylbenzene ◽

X Ray ◽

Alkylbenzene Sulfonate ◽

Hydrated Crystal

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Homo and Heterodimeric Structures of CCR5 and CXCR4: Molecular Dynamics Simulation as an Alternative to X-Ray Diffraction

Biophysical Journal ◽

10.1016/j.bpj.2018.11.1874 ◽

2019 ◽

Vol 116 (3) ◽

pp. 344a ◽

Author(s):

Daniele Di Marino ◽

Stefano Motta ◽

Vittorio Limongelli

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

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Molecular dynamics simulation and X—ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase

Journal of Molecular Liquids ◽

10.1016/s0167-7322(01)00192-1 ◽

2001 ◽

Vol 92 (3) ◽

pp. 201-216 ◽

Author(s):

Jean-Christophe Soetens ◽

Claude Millot ◽

Bernard Maigret ◽

Imre Bakó

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Phase ◽

Propylene Carbonate ◽

Dimethyl Carbonate ◽

Ethylene Carbonate ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

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Structural determination of a molten (Li-K)Cl mixture of the eutectic composition by x-ray diffraction and molecular dynamics simulation

Chemical Physics Letters ◽

10.1016/0009-2614(83)87344-8 ◽

1983 ◽

Vol 100 (5) ◽

pp. 436-441 ◽

Author(s):

Isao Okada ◽

Hiroaki Okano ◽

Hitoshi Ohtaki ◽

Ryuzo Takagi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Eutectic Composition ◽

Dynamics Simulation ◽

Structural Determination ◽

X Ray Diffraction ◽

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