TY - JOUR
T1 - Elasticity of a system with noncentral potentials
AU - Murat, Michael
AU - Kantor, Yacov
PY - 2006
Y1 - 2006
N2 - We derive expressions for determination of the stress and the elastic constants in systems composed of particles interacting via noncentral two-body potentials as thermal averages of products of first and second partial derivatives of the interparticle potentials and components of the interparticle separation vectors. These results are adapted to hard potentials, where the stress and the elastic constants are expressed as thermal averages of the components of normals to contact surfaces between the particles and components of vectors separating their centers. The averages require knowledge of the simultaneous contact probabilities of two pairs of particles. We apply the expressions to particles for which a contact function can be defined, and demonstrate the feasibility of the method by computing the stress and the elastic constants of a two-dimensional system of hard ellipses using Monte Carlo simulations.
AB - We derive expressions for determination of the stress and the elastic constants in systems composed of particles interacting via noncentral two-body potentials as thermal averages of products of first and second partial derivatives of the interparticle potentials and components of the interparticle separation vectors. These results are adapted to hard potentials, where the stress and the elastic constants are expressed as thermal averages of the components of normals to contact surfaces between the particles and components of vectors separating their centers. The averages require knowledge of the simultaneous contact probabilities of two pairs of particles. We apply the expressions to particles for which a contact function can be defined, and demonstrate the feasibility of the method by computing the stress and the elastic constants of a two-dimensional system of hard ellipses using Monte Carlo simulations.
UR - http://www.scopus.com/inward/record.url?scp=33749337091&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.74.031124
DO - 10.1103/PhysRevE.74.031124
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AN - SCOPUS:33749337091
SN - 1539-3755
VL - 74
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 3
M1 - 031124
ER -