129 citations · 129 across the 1 of their papers we have counts for
4 papers
Freezing by Monte Carlo Phase-Switch
N. B. Wilding, A. D. Bruce
We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method…
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…
Critical-point finite-size scaling in the microcanonical ensemble
A. D. Bruce, N. B. Wilding
We develop a scaling theory for the finite-size critical behavior of the microcanonical entropy (density of states) of a system with a critically-divergent heat capacity. The link…
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…