From symmetry to entropy: Crystal entropy difference strongly affects early stage phase transformation
Abstract
Although the connection between symmetry and entropy is not clear, researchers calculate configurational entropy with an ideal gas mixing model all along regardless of which structure they are considering. However, it is obvious that crystalline structures have symmetry, while an ideal gas does not. Therefore, the same ideal gas mixing value should not be assigned to other structures, such as face-centered-cubic (fcc) and hexagonal-close-packed (hcp) structures. Here, we offer a precise definition for determining the configurational entropy of crystals. We calculate the difference in configurational entropy between fcc and hcp structures based on Burnside's lemma in combinatorial mathematics and crystallographic rotation-point groups.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Dec 23, 2019
- Source ID
- 10.1063/1.5114974
Entities
People
- Alice Hu
- Cheng Hu
- J. W. Yeh
- K. Y. Fung
- P. K. Liaw
- Peijun Yu
- Y. C. Chen
- Y. C. Hsueh
Organizations
- Army Research Office
- City University of Hong Kong
- National Chiao Tung University
- National Natural Science Foundation of China
- National Science Foundation
- National Science and Technology Council
- National Tsing Hua University
- Research Grants Council, University Grants Committee
- University of Illinois Urbana–Champaign
- University of Tennessee