scholarly journals Rotational-Diffusion Propagator of the Intramolecular Proton–Proton Vector in Liquid Water: A Molecular Dynamics Study

2017 ◽  
Vol 121 (48) ◽  
pp. 10893-10905 ◽  
Author(s):  
W. A. Monika Madhavi ◽  
Samantha Weerasinghe ◽  
Konstantin I. Momot
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Rotational Diffusion ◽  
Proton Proton

scholarly journals Measurement of the sound velocity of shock compressed water

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Hua Shu ◽  
Jiangtao Li ◽  
Yucheng Tu ◽  
Junjian Ye ◽  
Junyue Wang ◽  
...  
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Equation Of State ◽  
Liquid Water ◽  
Diamond Anvil Cell ◽  
Quantum Molecular Dynamics ◽  
Laser Shock ◽  
Diamond Anvil ◽  
Ionization Processes ◽  
Sound Velocities

AbstractThe sound velocities of water in the Hugoniot states are investigated by laser shock compression of precompressed water in a diamond anvil cell. The obtained sound velocities in the off-Hugoniot region of liquid water at precompressed conditions are used to test the predictions of quantum molecular dynamics (QMD) simulations and the SESAME equation-of-state (EOS) library. It is found that the prediction of QMD simulations agrees with the experimental data while the prediction of SESAME EOS library underestimates the sound velocities probably due to its improper accounting for the ionization processes.

Viscosity of Liquid Water via Equilibrium Molecular Dynamics Simulations

2008 ◽  
pp. 351-361 ◽  
Author(s):  
Gerardo Delgado-Barrio ◽  
Rita Prosmiti ◽  
Pablo Villarreal ◽  
Gabriel Winter ◽  
Juan S. Medina ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Dynamics Simulations

Translational and Rotational Diffusion in Liquid Water at Very High Pressure: A Simulation Study

2019 ◽  
Vol 123 (47) ◽  
pp. 10025-10035 ◽  
Author(s):  
Pascale Friant-Michel ◽  
Jean-François Wax ◽  
Nadège Meyer ◽  
Hong Xu ◽  
Claude Millot
Keyword(s):  
High Pressure ◽  
Simulation Study ◽  
Liquid Water ◽  
Rotational Diffusion ◽  
Translational And Rotational Diffusion ◽  
Very High
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