Overview: Understanding nucleation phenomena from simulations of lattice gas models

K Binder, P Virnau - The Journal of chemical physics, 2016 - pubs.aip.org
Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas
models are reviewed with an emphasis on the general insight gained on the mechanisms by …

Large scale molecular dynamics simulations of homogeneous nucleation

J Diemand, R Angélil, KK Tanaka… - The Journal of chemical …, 2013 - pubs.aip.org
We present results from large-scale molecular dynamics (MD) simulations of homogeneous
vapor-to-liquid nucleation. The simulations contain between 1× 10 9 and 8× 10 9 Lennard …

Nucleation of and in aluminum alloys: From kinetic Monte Carlo simulations to classical theory

E Clouet, M Nastar, C Sigli - Physical Review B, 2004 - APS
Zr and Sc precipitate in aluminum alloys to form the compounds Al 3 Zr and Al 3 Sc which for
low supersaturations of the solid solution have the L 1 2 structure. The aim of the present …

Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free energy of droplets

M Schrader, P Virnau, K Binder - … Review E—Statistical, Nonlinear, and Soft …, 2009 - APS
When a fluid at a constant density ρ in between the densities of coexisting vapor (ρ v) and
liquid (ρ ℓ) at temperatures below criticality is studied in a (cubic) box of finite linear …

Kinetic Ising model in an oscillating field: Avrami theory for the hysteretic response and finite-size scaling for the dynamic phase transition

SW Sides, PA Rikvold, MA Novotny - Physical Review E, 1999 - APS
Hysteresis is studied for a two-dimensional, spin-1 2, nearest-neighbor, kinetic Ising
ferromagnet in a sinusoidally oscillating field, using Monte Carlo simulations and analytical …

Monte Carlo simulations of the decomposition of metastable solid solutions: Transient and steady-state nucleation kinetics

F Soisson, G Martin - Physical Review B, 2000 - APS
We present a study on the kinetics of coherent precipitation in weakly super-saturated
substitutional solid solutions by the Monte Carlo method. Our simulations are based on a …

Dynamics of nucleation in the Ising model

AC Pan, D Chandler - The Journal of Physical Chemistry B, 2004 - ACS Publications
Reactive pathways to nucleation in a three-dimensional Ising model at 60% of the critical
temperature are studied using transition path sampling of single spin flip Monte Carlo …

Modeling of nucleation processes

E Clouet - 2009 - dl.asminternational.org
This article describes the results obtained by Volmer, Weber, Farkas, Becker, and Doring,
which constitute the classical nucleation theory. These results are the predictions of the …

Test of the Kolmogorov-Johnson-Mehl-Avrami picture of metastable decay in a model with microscopic dynamics

RA Ramos, PA Rikvold, MA Novotny - Physical Review B, 1999 - APS
Abstract The Kolmogorov-Johnson-Mehl-Avrami (KJMA) theory for the time evolution of the
order parameter in systems undergoing first-order phase transformations has been …

Direct simulations of homogeneous bubble nucleation: Agreement with classical nucleation theory and no local hot spots

J Diemand, R Angélil, KK Tanaka, H Tanaka - Physical review E, 2014 - APS
We present results from direct, large-scale molecular dynamics simulations of homogeneous
bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones …