201 citations · 312 across the 5 of their papers we have counts for
5 papers
Lattice-switch Monte Carlo: the fcc-bcc problem
T. L. Underwood, G. J. Ackland
Lattice-switch Monte Carlo is an efficient method for calculating the free energy difference between two solid phases, or a solid and a fluid phase. Here, we provide a brief introd…
Lattice-switch Monte Carlo for binary hard-sphere crystals
A. N. Jackson, G. J. Ackland
We show how to generalize the Lattice Switch Monte Carlo method to calculate the phase diagram of a binary system. A global coordinate transformation is combined with a modificatio…
Maximisation Principles and Daisyworld
G. J. Ackland
We investigate whether the equilibrium time averaged state of a self-organising system with many internal degrees of freedom, 2D- daisyworld, can be described by optimising a singl…
Lattice-switch Monte Carlo
A. D. Bruce, A. N. Jackson, G. J. Ackland +1
We present a Monte Carlo method for the direct evaluation of the difference between the free energies of two crystal structures. The method is built on a lattice-switch transformat…
Free energies of crystalline solids: a lattice-switch Monte Carlo method
A. D. Bruce, N. B. Wilding, G. J. Ackland
We present a method for the direct evaluation of the difference between the free energies of two crystalline structures, of different symmetry. The method rests on a Monte Carlo pr…