Recently I was studying about L-J potential and I am confused about some points,
ULJ = Urepulsive + Uattractive
- at equilibrium position what happen?
- is it right to say that at equilibrium position the the repulsive & the attractive parts are equal that's why this position is called equilibrium position? If not then how this position is equilibrium?
At equilibrium position, the repulsive force equal to attractive force so that net force is zero on the particle. The net energy can still have a non zero value.
Dear Supriyo Naskar, if the net energy is non zero at this position then which part, attractive or repulsive dominate ?
At equilibrium, the derivative of energy is zero. For LJ system it is the minimum energy point of the configuration space. Now if you look closely to your LJ potential the repulsive term is always positive and it decays very fast (~ r^-12) whereas the attraction part is always negative and converges to zero rather slowly (~ r^-6). But at equilibrium the net energy is negative, so you can naively comment that the attractive part dominates.
Equilibrium indicates zero force. The repulsion and attraction interactions are equal in magnitude and opposite in sign.
Dear Supriyo Naskar , what's the meaning of positive value in binding energy? I got strange Lennard Jones graph based on my calculation using NWChem.
Yuanita Hikmahwati
Positive value indicates that the particles are repelling each other.
Supriyo Naskar so is it means that my molecules haven't stable yet? What I'm supposed to do to make it better? Really appreciate your help
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