This example demonstrate using a bias potential that can be used to study solid-liquid transitions with the interface pinning method. This is done by adding a harmonic potential to the Hamiltonian that bias the system towards two-phase configurations.
This example demonstrate using a bias potential that can be used to study solid-liquid transitions
with the interface pinning method. This is done by adding a harmonic potential to the Hamiltonian
that bias the system towards two-phase configurations.
U_bias = 0.5*k*(Q-a)^2
U_bias = 0.5*K*(Q-a)^2
The bias field couple to an order-parameter of crystallinity Q
This implimentation use long-range order: Q=|rho_k|, where rho_k is the collective density field of the wave-vector k.
The bias field couple to an order-parameter of crystallinity Q. The implementation use long-range order:
Q=|rho_k|,
where rho_k is the collective density field of the wave-vector k.
For future reference we note that the structure factor S(k) is given by the variance of the collective density field:
S(k)=|rho_k|^2.
# Reference
[Ulf R. Pedersen, J. Chem. Phys. 139, 104102 (2013)]
Please visit
It is recommended to get familiar with the interface pinning method by reading:
[Ulf R. Pedersen, J. Chem. Phys. 139, 104102 (2013)]