Water wettability of graphene and graphite, optimization of solid-liquid interaction force fields, and insights from mean-field modeling

2019 ◽  
Vol 151 (11) ◽  
pp. 114701 ◽  
Author(s):  
Bladimir Ramos-Alvarado
Keyword(s):  
Force Fields ◽  
Mean Field ◽  
Interaction Force ◽  
Field Modeling ◽  
Water Wettability ◽  
Solid Liquid

scholarly journals Simultaneous Use Of Class-i And Class-ii Force Fields In CHARMM For Solid-liquid Multiphase Simulation Of Protein-surface Interaction

2009 ◽  
Vol 96 (3) ◽  
pp. 405a-406a ◽  
Author(s):  
Pradip K. Biswas ◽  
Chris O. O'Brien ◽  
Steve J. Stuart ◽  
Robert A. Latour ◽  
Bernard R. Brooks
Keyword(s):  
Force Fields ◽  
Class Ii ◽  
Surface Interaction ◽  
Class I ◽  
Protein Surface ◽  
Simultaneous Use ◽  
Solid Liquid

scholarly journals Understanding Depletion Induced Like-Charge Attraction from Self-Consistent Field Model

2017 ◽  
Vol 22 (1) ◽  
pp. 95-111 ◽  
Author(s):  
Pei Liu ◽  
Manman Ma ◽  
Zhenli Xu
Keyword(s):  
Mean Field ◽  
Interaction Force ◽  
Systematic Investigation ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Anomalous Feature ◽  
Long Time ◽  
Ionic Size ◽  
Poisson Boltzmann ◽  
Force Calculation

AbstractThe interaction force between likely charged particles/surfaces is usually repulsive due to the Coulomb interaction. However, the counterintuitive like-charge attraction in electrolytes has been frequently observed in experiments, which has been theoretically debated for a long time. It is widely known that the mean field Poisson-Boltzmann theory cannot explain and predict this anomalous feature since it ignores many-body properties. In this paper, we develop efficient algorithm and perform the force calculation between two interfaces using a set of self-consistent equations which properly takes into account the electrostatic correlation and the dielectric-boundary effects. By solving the equations and calculating the pressure with the Debye-charging process, we show that the self-consistent equations could be used to study the attraction between like-charge surfaces from weak-coupling to mediate-coupling regimes, and that the attraction is due to the electrostatics-driven entropic force which is significantly enhanced by the dielectric depletion of mobile ions. A systematic investigation shows that the interaction forces can be tuned by material permittivity, ionic size and valence, and salt concentration, and that the like-charge attraction exists only for specific regime of these parameters.

scholarly journals Cyclic response of electrodeposited copper films. Experiments and elastic–viscoplastic mean-field modeling

2021 ◽  
Vol 153 ◽  
pp. 103685
Author(s):  
G. Girard ◽  
K. Frydrych ◽  
K. Kowalczyk-Gajewska ◽  
M. Martiny ◽  
S. Mercier
Keyword(s):  
Mean Field ◽  
Copper Films ◽  
Cyclic Response ◽  
Field Modeling

scholarly journals A new topological approach for the mean field modeling of dynamic recrystallization

2018 ◽  
Vol 146 ◽  
pp. 194-207 ◽  
Author(s):  
Ludovic Maire ◽  
Julien Fausty ◽  
Marc Bernacki ◽  
Nathalie Bozzolo ◽  
Pascal De Micheli ◽  
...  
Keyword(s):  
Dynamic Recrystallization ◽  
Mean Field ◽  
Topological Approach ◽  
Field Modeling ◽  
The Mean

Lattice Mean-Field Modeling of Charged Polymeric Micelles

2000 ◽  
Vol 33 (22) ◽  
pp. 8488-8496 ◽  
Author(s):  
Nadezhda P. Shusharina ◽  
Per Linse ◽  
Alexei R. Khokhlov
Keyword(s):  
Polymeric Micelles ◽  
Mean Field ◽  
Field Modeling

scholarly journals Mean-field modeling of the basal ganglia-thalamocortical system. II

2009 ◽  
Vol 257 (4) ◽  
pp. 664-688 ◽  
Author(s):  
S.J. van Albada ◽  
R.T. Gray ◽  
P.M. Drysdale ◽  
P.A. Robinson
Keyword(s):  
Basal Ganglia ◽  
Mean Field ◽  
Field Modeling ◽  
Thalamocortical System

scholarly journals Individual based and mean-field modeling of direct aggregation

2013 ◽  
Vol 260 ◽  
pp. 145-158 ◽  
Author(s):  
Martin Burger ◽  
Jan Haškovec ◽  
Marie-Therese Wolfram
Keyword(s):  
Mean Field ◽  
Field Modeling

A mean field approach for computing solid-liquid surface tension for nanoscale interfaces

2010 ◽  
Vol 132 (5) ◽  
pp. 054706 ◽  
Author(s):  
Chi-cheng Chiu ◽  
R. J. K. Udayana Ranatunga ◽  
David Torres Flores ◽  
D. Vladimir Pérez ◽  
Preston B. Moore ◽  
...  
Keyword(s):  
Surface Tension ◽  
Liquid Surface ◽  
Mean Field ◽  
Field Approach ◽  
Liquid Surface Tension ◽  
Nanoscale Interfaces ◽  
Solid Liquid
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