Simulation of electrons solvated in molten salt: a discretized path integral molecular dynamics study with quantum indistinguishability at high temperature

V Iyer; G E Jabbour; P A Deymier; C Y Lee

doi:10.1088/0965-0393/1/4/002

Simulation of electrons solvated in molten salt: a discretized path integral molecular dynamics study with quantum indistinguishability at high temperature

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/1/4/002 ◽

1993 ◽

Vol 1 (4) ◽

pp. 361-372 ◽

Cited By ~ 2

Author(s):

V Iyer ◽

G E Jabbour ◽

P A Deymier ◽

C Y Lee

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molten Salt ◽

Path Integral ◽

Quantum Indistinguishability

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Approach of the Molten Salt Chemistry for Aluminium Production: High Temperature NMR Measurements, Molecular Dynamics and DFT Calculations

Advances in Molten Slags, Fluxes, and Salts: Proceedings of the 10th International Conference on Molten Slags, Fluxes and Salts 2016 ◽

10.1007/978-3-319-48769-4_85 ◽

2016 ◽

pp. 799-805

Author(s):

Kelly Machado ◽

Didier Zanghi ◽

Vincent Sarou-Kanian ◽

Sylvian Cadars ◽

Mario Burbano ◽

...

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Dft Calculations ◽

Molten Salt ◽

Aluminium Production ◽

Molten Salt Chemistry

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First Principles Molecular Dynamics of Ionic Transport in High-Temperature Molten-Salt Electrolytes

ECS Meeting Abstracts ◽

10.1149/ma2015-01/42/2196 ◽

2015 ◽

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molten Salt ◽

First Principles ◽

Ionic Transport ◽

Molten Salt Electrolytes ◽

First Principles Molecular Dynamics

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Ab-initio molecular dynamics study on thermal property of NaCl–CaCl2 molten salt for high-temperature heat transfer and storage

Renewable Energy ◽

10.1016/j.renene.2020.08.152 ◽

2021 ◽

Vol 163 ◽

pp. 579-588

Author(s):

Zhenzhou Rong ◽

Gechuanqi Pan ◽

Jianfeng Lu ◽

Shule Liu ◽

Jing Ding ◽

...

Keyword(s):

Heat Transfer ◽

Molecular Dynamics ◽

High Temperature ◽

Thermal Property ◽

Ab Initio ◽

Molten Salt ◽

Ab Initio Molecular Dynamics ◽

Temperature Heat ◽

And Storage

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Approach of the Molten Salt Chemistry for Aluminium Production: High Temperature NMR Measurements, Molecular Dynamics and DFT Calculations

Advances in Molten Slags, Fluxes, and Salts ◽

10.1002/9781119333197.ch85 ◽

2016 ◽

pp. 799-805

Author(s):

Kelly Machado ◽

Didier Zanghi ◽

Vincent Sarou-Kanian ◽

Sylvian Cadars ◽

Mario Burbano ◽

...

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Dft Calculations ◽

Molten Salt ◽

Aluminium Production ◽

Molten Salt Chemistry

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽

10.1039/c9ra10261b ◽

2020 ◽

Vol 10 (9) ◽

pp. 5507-5515

Author(s):

Liang Song ◽

Feng-Qi Zhao ◽

Si-Yu Xu ◽

Xue-Hai Ju

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molecular Dynamics Simulation ◽

Molecular Dynamics Simulations ◽

Dynamics Simulation ◽

Reactive Molecular Dynamics ◽

Ring Compounds ◽

Fused Ring ◽

Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

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A molecular dynamics study on using of naturally occurring polymers for structural stabilization of erythropoietin at high temperature

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1922312 ◽

2021 ◽

pp. 1-11

Author(s):

Sanaz Kianipour ◽

Mohabbat Ansari ◽

Negin Farhadian ◽

Sajad Moradi ◽

Mohsen Shahlaei

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Structural Stabilization ◽

Naturally Occurring

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Evaluation of external tubular configurations for a high-temperature chloride molten salt solar receiver operating above 700 °C

Solar Energy ◽

10.1016/j.solener.2021.04.054 ◽

2021 ◽

Vol 222 ◽

pp. 115-128

Author(s):

Janna Martinek ◽

Sameer Jape ◽

Craig S. Turchi

Keyword(s):

High Temperature ◽

Molten Salt ◽

Solar Receiver ◽

Receiver Operating

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Modeling Carbon fiber oxidation under high temperature by ReaxFF based molecular dynamics simulation

AIAA Scitech 2020 Forum ◽

10.2514/6.2020-0484 ◽

2020 ◽

Author(s):

Linyuan Shi ◽

Marina Sessim ◽

Michael Tonks ◽

Simon Phillpot

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molecular Dynamics Simulation ◽

Carbon Fiber ◽

Dynamics Simulation

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Absorption and Stripping of CO2 with a Molten Salt Slurry in a Bubble Column at High Temperature

Chemical Engineering & Technology ◽

10.1002/ceat.200600143 ◽

2006 ◽

Vol 29 (9) ◽

pp. 1118-1121 ◽

Cited By ~ 9

Author(s):

K. Terasaka ◽

Y. Suyama ◽

K. Nakagawa ◽

M. Kato ◽

K. Essaki

Keyword(s):

High Temperature ◽

Molten Salt ◽

Bubble Column

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Simulation of electrons solvated in molten salt: a discretized path integral molecular dynamics study with quantum indistinguishability at high temperature

Approach of the Molten Salt Chemistry for Aluminium Production: High Temperature NMR Measurements, Molecular Dynamics and DFT Calculations

First Principles Molecular Dynamics of Ionic Transport in High-Temperature Molten-Salt Electrolytes

Ab-initio molecular dynamics study on thermal property of NaCl–CaCl2 molten salt for high-temperature heat transfer and storage

Approach of the Molten Salt Chemistry for Aluminium Production: High Temperature NMR Measurements, Molecular Dynamics and DFT Calculations

Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

A molecular dynamics study on using of naturally occurring polymers for structural stabilization of erythropoietin at high temperature

Evaluation of external tubular configurations for a high-temperature chloride molten salt solar receiver operating above 700 °C

Modeling Carbon fiber oxidation under high temperature by ReaxFF based molecular dynamics simulation

Absorption and Stripping of CO2 with a Molten Salt Slurry in a Bubble Column at High Temperature

Evaluation of external tubular configurations for a high-temperature chloride molten salt solar receiver operating above 700 °C