Grand canonical steady-state simulation of nucleation

Grand canonical steady-state simulation of nucleation.

Grand canonical molecular dynamics (GCMD) is applied to the nucleation process in a metastable phase near the spinodal, where nucleation occurs almost instantaneously and is limited to a very short time interval. With a variant of Maxwell's demon, proposed by McDonald [Am. J. Phys. 31, 31 (1963)], all nuclei exceeding a specified size are removed. In such a steady-state simulation, the nucleati...

Simulation Steady - State Simulation

We will discuss several techniques for obtaining point estimates and confidence intervals for steady-state performance measures. Let (X(t): t≥ 0) be a GSMP with (discrete) state space S that represents the underlying stochastic process of a simulation. Fix a real-valued function f defined on S and set Y(t) = f(X(t)) for t ≥ 0. There are several possible ways to define steady-state performance m...

Grand-canonical simulation of two-dimensional simplicial gravity

The string susceptibility exponents of dynamically triangulated 2-dimensional surfaces with various topologies, such as a sphere, torus and double-torus, were calculated by the grand-canonical Monte Carlo method. These simulations were made for surfaces coupled to d-Ising spins (d=0,1,2,3,5). In each simulation the area of surface was constrained to within 1000 to 3000 of triangles, while maint...

Grand canonical ensemble simulation studies of polydisperse fluids

We describe a Monte Carlo scheme for simulating polydisperse fluids within the grand canonical ensemble. Given some polydisperse attribute σ, the state of the system is described by a density distribution ρ(σ) whose form is controlled by the imposed chemical potential distribution μ(σ). We detail how histogram extrapolation techniques can be employed to tune μ(σ) such as to traverse some partic...

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code