0000000000172568
AUTHOR
B. J. Schulz
Avoiding Boundary Effects in Wang-Landau Sampling
A simple modification of the ``Wang-Landau sampling'' algorithm removes the systematic error that occurs at the boundary of the range of energy over which the random walk takes place in the original algorithm.
Suppression of capillary wave broadening of interfaces in binary alloys due to elastic interactions.
By Monte Carlo simulations in the constant-temperature--constant-pressure ensemble a planar interface between unmixed A-rich and B-rich phases of a binary (A, B) alloy on a compressible diamond lattice is studied. No significant capillary wave broadening of the concentration profile across the interface is observed, unlike lattice models of incompressible mixtures and fluids. The distortion of the lattice structure across the interface is studied.
First-order interface localization-delocalization transition in thin Ising films using Wang-Landau sampling
Using extensive Monte Carlo simulations, we study the interface localization- delocalization transition of a thin Ising film with antisymmetric competing walls for a set of parameters where the transition is strongly first-order. This is achieved by estimating the density of states (DOS) of the model by means of Wang-Landau sampling (WLS) in the space of energy, using both, single-spin-flip as well as N-fold way updates. From the DOS we calculate canonical averages related to the configurational energy, like the internal energy, the specific heat, as well as the free energy and the entropy. By sampling microcanonical averages during simulations we also compute thermodynamic quantities relat…