@Article{CiCP-16-3,
author = {},
title = {Finding Critical Nuclei in Phase Transformations by Shrinking Dimer Dynamics and Its Variants},
journal = {Communications in Computational Physics},
year = {2014},
volume = {16},
number = {3},
pages = {781--798},
abstract = {<p style="text-align: justify;">We investigate the critical nuclei morphology in phase transformation by
combining two effective ingredients, with the first being the phase field modeling of
the relevant energetics which has been a popular approach for phase transitions and
the second being shrinking dimer dynamics and its variants for computing saddle
points and transition states. In particular, the newly formulated generalized shrinking
dimer dynamics is proposed by adopting the Cahn-Hilliard dynamics for the generalized gradient system. As illustrations, a couple of typical cases are considered, including a generic system modeling heterogeneous nucleation and a specific material
system modeling the precipitate nucleation in FeCr alloys. While the standard shrinking dimer dynamics can be applied to study the non-conserved case of generic heterogeneous nucleation directly, the generalized shrinking dimer dynamics is efficient to
compute precipitate nucleation in FeCr alloys due to the conservation of concentration.
Numerical simulations are provided to demonstrate both the complex morphology associated with nucleation events and the effectiveness of generalized shrinking dimer
dynamics based on phase field models.</p>},
issn = {1991-7120},
doi = {https://doi.org/10.4208/cicp.250913.240314a},
url = {https://global-sci.com/article/80458/finding-critical-nuclei-in-phase-transformations-by-shrinking-dimer-dynamics-and-its-variants}
}