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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Energy landscape modeling of crystal nucleation

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Author(s):
Wilkinson, Collin J. [1, 2] ; Cassar, Daniel R. [3] ; DeCeanne, V, Anthony ; Kirchner, Katelyn A. [4] ; McKenzie, Matthew E. [5] ; Zanotto, Edgar D. [3] ; Mauro, John C. [4]
Total Authors: 7
Affiliation:
[1] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 - USA
[2] GlassWRX, Dept Res & Dev, Beaufort, SC 29906 - USA
[3] Univ Fed Sao Carlos, Dept Mat Engn, Vitreous Mat Lab, Ctr Res Technol & Educ Vitreous Mat, Sao Carlos - Brazil
[4] DeCeanne, Anthony, V, Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 - USA
[5] Corning Inc, Sci & Technol Div, Corning, NY 14831 - USA
Total Affiliations: 5
Document type: Journal article
Source: ACTA MATERIALIA; v. 217, SEP 15 2021.
Web of Science Citations: 1
Abstract

Nucleation is a crucial phase transformation process across all materials science. In the context of crystal nucleation, accurate knowledge of the nucleation rate is essential for the design of next-generation glass-ceramic and other composite materials; however, the quantitative prediction of crystal nucleation rate versus temperature remains elusive. This work proposes an energy landscape method to account for the thermodynamic and kinetics aspects of nucleation. This energy landscape approach shows fair agreement with experimental nucleation data for the barium disilicate system used as a model. It is also used to gain insight into the fundamental physics of classical nucleation theory (CNT) and a new method to compute nucleation rates. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. (AU)

FAPESP's process: 17/12491-0 - Kinetic processes in glass and formulation of new glasses using machine learning
Grantee:Daniel Roberto Cassar
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 13/07793-6 - CEPIV - Center for Teaching, Research and Innovation in Glass
Grantee:Edgar Dutra Zanotto
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC