A simple displacement perturbation method for phase-field modeling of ferroelectric thin film
Source abstract
Abstract
A displacement perturbation method is proposed for phase-field simulations of the ferroelectric domain structures. A temperature-misfit strain phase diagram is computed to validate this method`s accuracy, encompassing rhombohedral, orthorhombic, tetragonal, cubic, and mixed phases by comparing with previous phase-field simulations. The change in free energy density surface with temperature and strain distribution is computed to clarify the mechanism of the mixed phase. The phase diagram, ferroelectric hysteresis, and domain structure all demonstrate that the numerical method of displacement discretization is reliable and practical in solving the time-dependent Ginzburg–Landau equation, consistent with previous simulated and experimental results. This new method offers the advantages of simple programming and easy parallelism, paving the way for advancements in phase-field modeling.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Solidification and crystal growth phenomena · Ferroelectric and Piezoelectric Materials · Advanced Mathematical Modeling in Engineering
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (76)
Show source-provided references
1. Phase-field models for microstructure evolution10.1146/annurev.matsci.32.112001.132041 ↗
2. A two-dimensional phase-field investigation on unidirectionally solidified tip-splitting microstructures10.3390/met12030376 ↗
3. An introduction to phase-field modeling of microstructure evolution10.1016/j.calphad.2007.11.003 ↗
4. Phase-field models in materials science10.1088/0965-0393/17/7/073001 ↗
5. The phase field model for hydrogen diffusion and gamma-hydride precipitation in zirconium under non-uniformly applied stress10.1016/j.mechmat.2005.05.005 ↗
6. Phase-field simulation on the interaction of oxygen vacancies with charged and neutral domain walls in hexagonal YMnO310.1088/1361-648X/ac50d8 ↗
7. Antiferroelectric Phase Diagram Enhancing Energy-Storage Performance by Phase-Field Simulations10.1021/acsami.2c05168 ↗
8. Phase-field simulation of polarization switching and domain evolution in ferroelectric polycrystals10.1016/j.actamat.2005.07.040 ↗
9. Effect of substrate constraint on the stability and evolution of ferroelectric domain structures in thin films10.1016/S1359-6454(01)00360-3 ↗
10. Inverse Domain-Size Dependence of Piezoelectricity in Ferroelectric Crystals10.1002/adma.202105071 ↗
11. Strain effect on phase transitions of BaTiO3 nanowires10.1016/j.actamat.2011.08.015 ↗
12. Phase transitions and domain structures of ferroelectric nanoparticles: phase field model incorporating strong elastic and dielectric inhomogeneity10.1016/j.actamat.2013.08.055 ↗
13. Anomalous vortex dynamics in two-dimensional superconducting arrays10.1103/PhysRevB.49.6153 ↗
14. Numerical simulation of vortex dynamics in type-II superconductors in oscillating magnetic field using time-dependent Ginzburg–Landau equations
15. Slow He Quenches Produce Fuzzy, Transient Vortices10.1103/PhysRevLett.84.1248 ↗
16. Phase-field model of topological charge interaction force in nematic liquid crystals
17. Phase-field simulation of two-dimensional topological charges in nematic liquid crystals10.1063/5.0021079 ↗
18. Phase-field model for ferromagnetic shape-memory alloys10.1080/09500830500385527 ↗
19. Phase-field simulations of surface charge-induced ferroelectric vortex10.1088/1361-6463/ac1229 ↗
20. Phase-Field Method of Phase Transitions/Domain Structures in Ferroelectric Thin Films: a Review10.1111/j.1551-2916.2008.02413.x ↗
21. Thickness Dependence of Switching Behavior in Ferroelectric BiFeO3 Thin Films: a Phase-Field Simulation10.3390/app7111162 ↗
22. Accelerating large-scale phase-field simulations with GPU10.1063/1.5003709 ↗
23. Domain evolution in bended freestanding BaTiO3 ultrathin films: a phase-field simulation10.1063/5.0002248 ↗
24. Path-dependent vortex switching in ferroelectric nanoplate junctions toward a memory device concept10.3389/fphy.2021.791019 ↗
25. Vortex domain structures of an epitaxial ferroelectric nanodot and its temperature-misfit strain phase diagram10.1039/c3cp00133d ↗
26. Domain evolution in ferroelectric materials: a continuum phase field model and finite element implementation10.1016/j.cma.2007.05.010 ↗
27. Domain growth in the two-dimensional time-dependent Ginzburg-Landau model in the presence of a random magnetic field10.1103/PhysRevB.42.704 ↗
28. Applications of semi-implicit Fourier-spectral method to phase field equations10.1016/S0010-4655(97)00115-X ↗
29. A phase-field model for evolving microstructures with strong elastic inhomogeneity10.1016/S1359-6454(01)00118-5 ↗
30. Macroscopic elastic and electric fields in ferroelectrics: phenomenology and simulations10.1080/00150199908214870 ↗
31. Time-dependent superconductivity: relaxation oscillations of the order parameter10.1007/BF00115568 ↗
32. Computer simulation of 90 ° ferroelectric domain formation in two-dimensions10.1016/S0921-5093(97)00453-X ↗
33. Thickness-dependent polar domain evolution in strained, ultrathin PbTiO3 films10.1021/acsami.1c20797 ↗
34. Oxygen vacancy-induced topological Nanodomains in ultrathin ferroelectric films10.1038/s41535-021-00349-y ↗
35. Deterministic manipulation of multi-state polarization switching in Multiferroic thin films
36. Phase field simulation of misfit strain manipulating domain structure and ferroelectric properties in PbZr(1–x)TixO3 thin films
37. Size effects of electrocaloric cooling in ferroelectric nanowires10.1111/jace.15304 ↗
38. Strain-tuning Bloch- and Néel-type magnetic skyrmions: a phase-field simulation10.1016/j.scriptamat.2022.114994 ↗
39. Designing ultrafast cooling rate for room temperature electrocaloric effects by phase-field simulations10.1002/adts.202200406 ↗
40. Nonvolatile ferroelectric domain wall memory integrated on silicon10.1038/s41467-022-31763-w ↗
41. Ultrahigh energy storage in superparaelectric relaxor ferroelectrics10.1126/science.abi7687 ↗
42. Toroidal polar topology in strained ferroelectric polymer10.1126/science.abc4727 ↗
43. Deterministic reversal of single magnetic vortex circulation by an electric field10.1016/j.scib.2020.04.008 ↗
44. Skyrmion-electronics: writing, deleting, reading and processing magnetic skyrmions toward spintronic applications
45. Investigation into electrocaloric effect of different types of ferroelectric materials by Landau-Devonshire theory10.7498/aps.69.20201195 ↗
46. Ferroelectric domain-wall logic units10.1038/s41467-022-30983-4 ↗
47. Photoenhanced electroresistance at dislocation-mediated phase boundary10.1021/acsami.1c25259 ↗
48. Thin-film ferroelectric materials and their applications10.1038/natrevmats.2016.87 ↗
49. Ferroelectric domain morphologies of (001) PbZr1−xTixO3 epitaxial thin films10.1063/1.1849820 ↗
50. Temperature-strain phase diagram for BaTiO3 thin films10.1063/1.2172744 ↗
51. A phenomenological gibbs function for BaTiO3 giving correct e field dependence of all ferroelectric phase changes10.1080/00150198408240090 ↗
52. Ferroelectric domain structures in SrBi2Nb2O9 epitaxial thin films: electron microscopy and phase-field simulations10.1063/1.1707211 ↗
53. A phenomenological thermodynamic potential for BaTiO3 single crystals10.1063/1.2042528 ↗
54. Q-POP-Thermo: a general-purpose thermodynamics solver for ferroelectric materials10.1016/j.cpc.2022.108302 ↗
55. Theory of ferroelectrics10.1080/00018735400101173 ↗
56. Shames · 2017
57. Yoo · 2011
58. Stability of structures: elastic, inelastic, fracture and damage theories
59. Feng · 1997
60. A virtual work derivation of the scaled boundary finite-element method for elastostatics10.1007/s00466-002-0314-2 ↗
61. A thermodynamic potential and the temperature-composition phase diagram for single-crystalline K 1- x Na x NbO 3 (0 ≤ x ≤ 0.5)10.1063/1.4978360 ↗
62. Stability and low-energy orientations of interphase boundaries in multiaxial ferroelectrics: phase-field simulations10.1103/PhysRevB.105.014108 ↗
63. Provatas · Phase-Field Methods Mater. Sci. Eng. · 2010 · 1
64. Temperature-strain phase diagram for BaTiO3 thin films10.1063/1.2172744 ↗
65. Controllable electrical, magnetoelectric and optical properties of BiFeO3 via domain engineering10.1016/j.pmatsci.2022.100943 ↗
66. High-precision and linear weight updates by subnanosecond pulses in ferroelectric tunnel junction for neuro-inspired computing10.1038/s41467-022-28303-x ↗
67. Polar topological structures in ferroelectric materials10.7498/aps.69.20200311 ↗
68. Domain bundle boundaries in single crystal BaTiO3 lamellae: searching for naturally forming dipole flux-closure/quadrupole chains10.1021/nl102566y ↗
69. Domains in ferroelectric nanodots10.1021/nl901661a ↗
70. Morphological control of polar orientation in single-crystal ferroelectric nanowires10.1021/nl072260l ↗
71. A strain-driven morphotropic phase boundary in BiFeO310.1126/science.1177046 ↗
72. Electrically controllable spontaneous magnetism in nanoscale mixed phase multiferroics10.1038/ncomms1221 ↗
73. Flux-closure domains in PbTiO3/SrTiO3 multilayers mediated without tensile strain10.1021/acs.jpcc.1c10057 ↗
74. Phase transition effect on ferroelectric domain surface charge dynamics in BaTiO3 single crystal10.3390/ma14164463 ↗
75. Phase field simulation of misfit strain manipulating domain structure and ferroelectric properties in PbZr (1-x) TixO3 thin films
76. Heteroepitaxy of tetragonal BiFeO3 on hexagonal sapphire (0001)10.1021/am405115y ↗