Title:
Template-Induced Precursor Formation in Heterogeneous Nucleation: Controlling Polymorph Selection and Nucleation Efficiency
Author(s):
Díaz Leines, Grisell; Rogal, Jutta
Year of publication:
2022
Available Date:
2023-03-31T07:19:02Z
Abstract:
We present an atomistic study of heterogeneous nucleation in Ni employing transition path sampling, which reveals a template precursor-mediated mechanism of crystallization. Most notably, we find that the ability of tiny templates to modify the structural features of the liquid and promote the formation of precursor regions with enhanced bond-orientational order is key to determining their nucleation efficiency and the polymorphs that crystallize. Our results reveal an intrinsic link between structural liquid heterogeneity and the nucleating ability of templates, which significantly advances our understanding toward the control of nucleation efficiency and polymorph selection.
Part of Identifier:
ISSN (print): 0031-9007
e-ISSN (online): 1079-7114
Keywords:
Crystal phenomena
Crystallization
Nucleation
Nucleation on surfaces
Phase transitions
Surface & interfacial phenomena
DDC-Classification:
539 Moderne Physik
Publication Type:
Wissenschaftlicher Artikel
URL of the Original Publication:
DOI of the Original Publication:
Journal Volume:
128 (2022)
Journaltitle:
Physical Review Letters
Publisher Place:
College Park, MD
Department/institution:
Physik
Institut für Theoretische Physik
Comments:
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