Calculate bonding energy for two particle collision simulation

Hi everyone,

I have a problem of calculating bonding energy for two particles collision simulation.
In the system, particle A (5000 Ag atoms) impacts on particle B (5000 Ag atoms) with a high velocity.
The particle B was fixed and the particle A moved. (non-rigid model)
Due to the competition between rebound energy and bonding energy, the particle A may stick to the particle B or rebound from the particle B.
According to the literatures, i can evaluate the rebound energy.
Following is my opinion on calculating the Bonding energy between the two particles:
Bonding energy (AB) = PotEng(A) + PotEng(B) - PotEng(AB)
PotEng(A):Potential energy of A particle system at a equilibrium state;
PotEng(B):Potential energy of B particle system at a equilibrium state;
PotEng(AB):Potential energy of AB particle system at a collision state.
The collision state refers to the state from time of being contact between two particles to time of the rebound velocity reaching at maxmum.
This idea maybe wrong. Hope you give some hints…
Best regards.

Hai-Long Yao

State Key Laboratory for Mechanical Behavior of Materials
School of Materials Science and Engineering, Xi’an Jiaotong University
Xianning West Road 28, Xi’an, Shaanxi, 710049 China
Tel: +86 29 82665299
Fax: +86 29 83237910
E-mail:[email protected]…127…

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