2023-Sustainable Industrial Processing Summit
SIPS2023 Volume 9. Navrotsky Intl. Symp. / Geochemistry
| Editors: | F. Kongoli, M. Asta, C. Drouet, S.Hayun, R. Riedel, W. Sun |
| Publisher: | Flogen Star OUTREACH |
| Publication Year: | 2023 |
| Pages: | 142 pages |
| ISBN: | 978-1-989820-88-9 (CD) |
| ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
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LIFTING PHASE DIAGRAMS OUT OF FLATLAND
Wenhao Sun1;1UNIVERSITY OF MICHIGAN, Michigan, United States;
Type of Paper: Regular
Id Paper: 456
Topic: 67
Abstract:
When synthesizing a new material, one often starts by consulting the thermodynamic phase diagram. There are four main varieties of phase diagrams today: 1) Temperature–Pressure; 2) Temperature–Composition; 3) Ellingham (T, μO2); and 4) Pourbaix diagrams (pH, Redox potential). Prof. Navrotsky performed seminal calorimetry work showing that surface energies can drive nanoscale crossovers in phase stability when metastable polymorphs have lower surface energies than the bulk equilibrium phases. In addition to surface energies, many forms of thermodynamic work may further be operative during nucleation and growth—such as elastic, electromagnetic and electrochemical work. Here, I will describe a geometric process to ‘lift’ 2D phase diagrams into higher dimensions, exposing these additional forms of thermodynamic work on the axes. By properly accounting for these hidden thermodynamic variables, we can reconcile many surprising experimental observations of non-equilibrium intermediates during multistep crystallization. I will conclude with a broader vision for the construction and deployment of high-dimensional phase diagrams, which may serve as a powerful new conceptual framework for the design and synthesis of advanced functional materials.