Back to Search
Start Over
Displacive phase-field crystal model
- Source :
- Physical Review Materials. 4
- Publication Year :
- 2020
- Publisher :
- American Physical Society (APS), 2020.
-
Abstract
- A phase-field crystal model that spontaneously undergoes displacive phase transitions is introduced by explicitly studying a two-component two-dimensional square crystal reminiscent of a perovskite. When the intercomponent free energy is a simple polynomial, the crystal undergoes displacive transitions in the $\ensuremath{\langle}10\ensuremath{\rangle}$ and $\ensuremath{\langle}11\ensuremath{\rangle}$ directions. When the interaction is a correlation function, displacements in any direction can occur. This displacive phase-field crystal (DPFC) model maps to Landau-Ginzburg-Devonshire (LGD) theories for ferroelectrics, and the DPFC and LGD models are compared in terms of phase transitions and domain walls. Dynamical simulations of quadrijunctions were also performed and found stable spiraling quadrijunctions and unstable nonspiraling quadrijunctions. Last, domain coarsening across a small-angle grain boundary demonstrates multiple forms of non-mean-curvature-driven growth.
- Subjects :
- Polynomial (hyperelastic model)
Phase transition
Materials science
Physics and Astronomy (miscellaneous)
Condensed matter physics
02 engineering and technology
021001 nanoscience & nanotechnology
01 natural sciences
Crystal
Correlation function
Crystal model
0103 physical sciences
General Materials Science
Grain boundary
010306 general physics
0210 nano-technology
Energy (signal processing)
Perovskite (structure)
Subjects
Details
- ISSN :
- 24759953
- Volume :
- 4
- Database :
- OpenAIRE
- Journal :
- Physical Review Materials
- Accession number :
- edsair.doi...........9ba5ba16ffbb5c2492f95533506e92ae