Reparametrized E3B (Explicit Three-Body) Water Model Using the TIP4P/2005 Model as a Reference

2015 ◽  
Vol 11 (5) ◽  
pp. 2268-2277 ◽  
Author(s):  
Craig J. Tainter ◽  
Liang Shi ◽  
James L. Skinner
Keyword(s):  
Body Water ◽  
Water Model ◽  
Three Body

Robust three-body water simulation model

2011 ◽  
Vol 134 (18) ◽  
pp. 184501 ◽  
Author(s):  
C. J. Tainter ◽  
P. A. Pieniazek ◽  
Y.-S. Lin ◽  
J. L. Skinner
Keyword(s):  
Simulation Model ◽  
Body Water ◽  
Water Simulation ◽  
Three Body

Structure of ice Ih. Ab initio two‐ and three‐body water–water potentials and geometry optimization

1985 ◽  
Vol 83 (3) ◽  
pp. 1223-1231 ◽  
Author(s):  
Byoung Jip Yoon ◽  
Keiji Morokuma ◽  
Ernest R. Davidson
Keyword(s):  
Ab Initio ◽  
Geometry Optimization ◽  
Body Water ◽  
Water Potentials ◽  
Three Body

scholarly journals Machine Learned Coarse Grain Water Models for Evaporation Studies

2020 ◽  
Author(s):  
Sumith Yesudasan ◽  
Rodney Averett ◽  
Sibi Chacko
Keyword(s):  
Water Model ◽  
Coarse Grain ◽  
Thin Film Evaporation ◽  
Pair Potentials ◽  
Atomic Pair ◽  
Wide Range ◽  
Single Bead ◽  
Dynamics Simulations ◽  
Three Body ◽  
Body Potential

Evaporation studies of water using classical molecular dynamics simulations are largely limited due to its high computational expense. We aim at addressing the computational issues by developing a coarse grain model for evaporation of water on solid surfaces by combining four water molecules into a single bead. Most commonly used mono atomic pair potentials like Lennard Jones, Morse, Mie and three body potential like Stillinger-Weber are optimized using a combination of Genetic algorithm and Nelder-Mead algorithm. Among them, Stillinger-Weber based model shows excellent agreement of density and Enthalpy of vaporization with experimental results for a wide range of temperatures. Further, the new water model is used to simulate contact angle of water and thin film evaporation from surfaces with different wettabilities.

scholarly journals Faeces is a reliable source of body water for measuring tritium in reindeer in summer and in winter

Rangifer ◽  
1995 ◽  
Vol 15 (2) ◽  
pp. 63 ◽  
Author(s):  
Geir Gotaas ◽  
Nicholas J.C. Tyler
Keyword(s):  
Intravenous Injection ◽  
Adult Female ◽  
Half Life ◽  
Rumen Fluid ◽  
Body Water ◽  
Tritium Concentration ◽  
Free Living ◽  
Water Compartments ◽  
Reliable Source ◽  
Three Body

Rates of equilibration and subsequent wash-out of tritium were measured in parallel samples of blood, rumen fluid and faeces collected from two adult female Norwegian reindeer in summer and in winter. The tritium-concentration was the same in all three body water compartments after no more than 9 h following both intravenous and intra-ruminal injection of isotope in summer and following intravenous injection of isotope in winter. The biological half-life of the tritium increased from approximately 3 days in summer to approximately 10 days in winter, probably as a consequence of a decrease in water intake. There were no significant differences in disappearance rates of tritium from blood, rumen fluid and faeces within any of the six experiments. Fresh faeces is therefore a reliable source of body water that can be used in place of blood in studies of body water kinetics in reindeer, thus making it potentially possible to conduct such studies on truly free-living and undisturbed animals.

Collective dynamics in three body water and sound dispersion

1986 ◽  
Vol 85 (10) ◽  
pp. 6085-6092 ◽  
Author(s):  
Mark Wojcik ◽  
Enrico Clementi
Keyword(s):  
Body Water ◽  
Collective Dynamics ◽  
Three Body ◽  
Sound Dispersion

Single molecule dynamics of three body water

1986 ◽  
Vol 85 (6) ◽  
pp. 3544-3549 ◽  
Author(s):  
Mark Wojcik ◽  
Enrico Clementi
Keyword(s):  
Single Molecule ◽  
Body Water ◽  
Single Molecule Dynamics ◽  
Three Body ◽  
Molecule Dynamics

ON THE THREE-BODY ELECTRON ATTACHMENT TO OXYGEN IN THE PLASMA OF A NON-SELF-MAINTAINED DISCHARGE

1979 ◽  
Vol 40 (C7) ◽  
pp. C7-103-C7-104
Author(s):  
A. N. Vasilieva ◽  
I. A. Grishina ◽  
V. I. Ktitorov ◽  
A. S. Kovalev ◽  
A. T. Rakhimov
Keyword(s):  
Electron Attachment ◽  
Maintained Discharge ◽  
Three Body
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