| Full text | |
| Author(s): |
Total Authors: 2
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| Affiliation: | [1] Univ Fed Sao Carlos, Dept Phys, Via Washington Luiz, Km 235, BR-13565905 Sao Carlos, SP - Brazil
[2] Univ Fed Sao Carlos, Dept Mat Engn, Via Washington Luiz, Km 235, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 2
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| Document type: | Journal article |
| Source: | Chemical Physics Letters; v. 735, NOV 16 2019. |
| Web of Science Citations: | 0 |
| Abstract | |
Understanding the crystal nucleation mechanism and kinetics is essential for predicting and controlling numerous natural and industrial processes. However, it is extremely difficult to experimentally determine certain key parameters, such as the critical nucleus size, the interfacial free energy, and the diffusion coefficient in multicomponent liquids. In this work, we used MD data on nucleation rates and diffusion coefficient to analyze the nucleation kinetics in a Ni50Ti50 alloy in the framework of the Classical Nucleation Theory (CNT). Our analysis validates the CNT as a good descriptor of the crystal nucleation rates in this supercooled alloy, corroborating recent results of MD simulation of supercooled Lennard-Jones and BaS liquids. (AU) | |
| FAPESP's process: | 17/08350-1 - Crystallization of supercooled liquids via MD simulations |
| Grantee: | Azat Tipeev |
| 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 |