Abstract
This chapter is an overview on computational material science methods applied to understanding the process-microstructure-property relationships of metallic material systems, or computational metallurgy. The emphasis will be on modeling and predicting the stability (thermodynamics) and the temporal/spatial evolution (kinetics) of microstructures, or computational microstructural science using a combination of electronic/atomistic level first-principles calculations of structures and thermodynamic properties of individual structural phases in a microstructure and interfaces and mesoscale microstructure evolution models.
| Original language | English (US) |
|---|---|
| Title of host publication | Physical Metallurgy |
| Subtitle of host publication | Fifth Edition |
| Publisher | Elsevier Inc. |
| Pages | 2807-2835 |
| Number of pages | 29 |
| Volume | 1 |
| ISBN (Electronic) | 9780444537713 |
| ISBN (Print) | 9780444537706 |
| DOIs | |
| State | Published - Dec 5 2014 |
All Science Journal Classification (ASJC) codes
- Chemistry(all)
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Cite this
Chen, L. Q., & Gu, Y. (2014). Computational Metallurgy. In Physical Metallurgy: Fifth Edition (Vol. 1, pp. 2807-2835). Elsevier Inc.. https://doi.org/10.1016/B978-0-444-53770-6.00027-7