Year: 2014
Communications in Computational Physics, Vol. 16 (2014), Iss. 3 : pp. 781–798
Abstract
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.
You do not have full access to this article.
Already a Subscriber? Sign in as an individual or via your institution
Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.250913.240314a
Communications in Computational Physics, Vol. 16 (2014), Iss. 3 : pp. 781–798
Published online: 2014-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 18
-
Solution landscapes of the diblock copolymer-homopolymer model under two-dimensional confinement
Xu, Zhen | Han, Yucen | Yin, Jianyuan | Yu, Bing | Nishiura, Yasumasa | Zhang, LeiPhysical Review E, Vol. 104 (2021), Iss. 1
https://doi.org/10.1103/PhysRevE.104.014505 [Citations: 5] -
Optimization-based Shrinking Dimer Method for Finding Transition States
Zhang, Lei | Du, Qiang | Zheng, ZhenzhenSIAM Journal on Scientific Computing, Vol. 38 (2016), Iss. 1 P.A528
https://doi.org/10.1137/140972676 [Citations: 29] -
Recent developments in computational modelling of nucleation in phase transformations
Zhang, Lei | Ren, Weiqing | Samanta, Amit | Du, Qiangnpj Computational Materials, Vol. 2 (2016), Iss. 1
https://doi.org/10.1038/npjcompumats.2016.3 [Citations: 37] -
The Phase Transition Model for Heat-Shrinkable Thermo-Sensitive Hydrogels Based on Interaction Energy
Peng, Qiujin | Zhang, Hui | Zhang, ZhengruCommunications in Computational Physics, Vol. 17 (2015), Iss. 2 P.594
https://doi.org/10.4208/cicp.050414.061014a [Citations: 2] -
A dimer-type saddle search algorithm with preconditioning and linesearch
Gould, N. | Ortner, C. | Packwood, D.Mathematics of Computation, Vol. 85 (2016), Iss. 302 P.2939
https://doi.org/10.1090/mcom/3096 [Citations: 11]