Ultrafast energy relaxation and anisotropy decay of the librational motion in liquid water: A molecular dynamics study

2009 ◽  
Vol 131 (16) ◽  
pp. 164511 ◽  
Author(s):  
Takuma Yagasaki ◽  
Junichi Ono ◽  
Shinji Saito
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Energy Relaxation ◽  
Anisotropy Decay ◽  
Librational Motion

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.

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
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