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Additional
interatomic potentials
English Wikipedia - The Free Encyclopedia
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Interatomic potential
Interatomic potentials
are mathematical
function
s for calculating the
potential energy
of a system of
atoms
with given positions in space. Interatomic potentials are widely used as the physical basis of
molecular mechanics
and
molecular dynamics
simulations in chemistry, molecular physics and materials physics, sometimes in connection with such effects as
cohesion
,
thermal expansion
and
elastic properties of materials
.
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