FCC ↔ BCC Phase Transitions in Convex and Concave Hard Particle Systems
| Autor: | Greg van Anders, Chrisy Xiyu Du, Duanduan Wan, Sharon C. Glotzer |
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| Rok vydání: | 2019 |
| Předmět: |
Physics
Particle system Phase transition Statistical Mechanics (cond-mat.stat-mech) 010304 chemical physics Condensed matter physics Transition (fiction) Regular polygon FOS: Physical sciences Condensed Matter - Soft Condensed Matter 010402 general chemistry 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Condensed Matter::Materials Science 0103 physical sciences Materials Chemistry Soft Condensed Matter (cond-mat.soft) Physical and Theoretical Chemistry Condensed Matter - Statistical Mechanics |
| Zdroj: | The Journal of Physical Chemistry B. 123:9038-9043 |
| ISSN: | 1520-5207 1520-6106 |
| Popis: | Particle shape plays an important role in the phase behavior of colloidal self-assembly. Recent progress in particle synthesis has made particles of polyhedral shapes and dimpled spherical shapes available. Here using computer simulations of hard particle models, we study face-centered cubic to body-centered cubic (FCC-to-BCC) phase transitions in a convex 432 polyhedral shape family and a concave dimpled sphere family. Particles in both families have four-, three-, and two-fold rotational symmetries. Via free energy calculations we find the FCC-to-BCC transitions in both families are first order. As a previous work reports the FCC-to-BCC phase transition is first order in a convex 332 family of hard polyhedra, our work provides additional insight into the FCC-to-BCC transition and how the convexity or concavity of particle shape affects phase transition pathways. Comment: 6 pages, 5 figures |
| Databáze: | OpenAIRE |
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