effective pair potential
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Seven-Site Effective Pair Potential for Simulating Liquid Water

2019 ◽  
Vol 123 (21) ◽  
pp. 4594-4603 ◽  
Author(s):  
Chong-Li Zhao ◽  
Dong-Xia Zhao ◽  
Cui-Cui Bei ◽  
Xiang-Na Meng ◽  
Shenmin Li ◽  
...  
Keyword(s):  
Liquid Water ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

Effective pair potential between charged nanoparticles at high volume fractions

2017 ◽  
Vol 19 (6) ◽  
pp. 4787-4792 ◽  
Author(s):  
Guillaume Bareigts ◽  
Christophe Labbez
Keyword(s):  
Molecular Simulation ◽  
Pair Potential ◽  
High Volume ◽  
Spherical Particles ◽  
Simulation Program ◽  
Volume Fractions ◽  
Charged Colloids ◽  
Effective Pair Potential ◽  
Effective Pair ◽  
Charged Nanoparticles

We proposed a simple and versatile method to calculate the effective pair potential between charged colloids which can easily be used in popular molecular simulation program packages and extended to non-spherical particles.

Dissipative Particle Dynamics with an Effective Pair Potential from Integral Equation Theory of Molecular Liquids

2014 ◽  
Vol 118 (41) ◽  
pp. 12034-12049 ◽  
Author(s):  
Alexander E. Kobryn ◽  
Dragan Nikolić ◽  
Olga Lyubimova ◽  
Sergey Gusarov ◽  
Andriy Kovalenko
Keyword(s):  
Integral Equation ◽  
Dissipative Particle Dynamics ◽  
Pair Potential ◽  
Particle Dynamics ◽  
Integral Equation Theory ◽  
Molecular Liquids ◽  
Effective Pair Potential ◽  
Effective Pair

Correction to the Wills-Harrison Approach: Influence on the First Minimum of the Effective Pair Interaction

2013 ◽  
Vol 371 ◽  
pp. 373-377 ◽  
Author(s):  
Nikolai Dubinin
Keyword(s):  
Transition Metal ◽  
Pair Potential ◽  
Pair Interaction ◽  
Simple Metal ◽  
Pseudopotential Theory ◽  
Pair Potentials ◽  
Effective Pair Potential ◽  
Effective Pair

An influence of the degree of account of the non-diagonal couplings between d electrons sited on different atoms in a transition metal on the main characteristics of the first minimums of the Wills-Harrison (WH) effective pair potentials in liquid Fe, Co and Ni are investigated. It is found that at full aforementioned account the WH potential is transformed to the simple-metal-pseudopotential-theory effective pair potential and that first-minimum positions of WH potentials abruptly shift to right side at predominance of the non-diagonal d-d-couplings in a metal.

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