Cover Image

Thermal stability of nano-scale ferroelectric domains by molecular dynamics modeling

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Klomp, Arne J., Khachaturyan, Ruben, Wallis, Theophilus, Grünebohm, Anna, Albe, Karsten
Format:	Preprint
Published:	2022
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Crystal structure identification with 3D convolutional neural networks with application to high-pressure phase transitions in SiO$_2$
by: Erhard, Linus C., et al.
Published: (2024)

Competing phases and domain structures of ferroelectric perovskites: the benefit of epitaxial (110) growth
by: Hsu, Lan-Tien, et al.
Published: (2026)

Control of ferroelectric domain wall dynamics by point defects: Insights from ab initio based simulations
by: Teng, Sheng-Han, et al.
Published: (2025)

Ferroelectric switching at edge dislocations in BaTiO$_3$ modelled at the atomic scale
by: Wijekoon, Himal, et al.
Published: (2026)

Defect thermodynamics of orthorhombic Ba$_2$In$_2$O$_5$: First-principles calculations on the role of oxygen dumbbell interstitials
by: Sciotto, Rachele, et al.
Published: (2025)

On the Relationship and Distinction Between Atomic Density and Coordination Number in Describing Grain Boundaries
by: Kamachali, Reza Darvishi, et al.
Published: (2025)

Structure-property relations of silicon oxycarbides studied using a machine learning interatomic potential
by: Leimeroth, Niklas, et al.
Published: (2024)

Electron Polaron at Neutral 180$^\circ$ Domain Wall in PbTiO$_3$: Stability, Trapping Energies, and Transverse Polarization
by: Amirabbasi, Mohammad, et al.
Published: (2026)

Point defect design in (Ba,Sr)TiO$_3$ -- an insight on agglomeration
by: Teng, Sheng-Han, et al.
Published: (2024)

Understanding phase transitions of $α$-quartz under dynamic compression conditions by machine-learning driven atomistic simulations
by: Erhard, Linus C., et al.
Published: (2024)

BaTiO$_3$ -- SrTiO$_3$ composites: a microscopic study on paraelectric cubic inclusions
by: Teng, Sheng-Han, et al.
Published: (2025)

Electric field direction dependence of the electrocaloric effect in BaTiO3
by: Hsu, Lan-Tien, et al.
Published: (2024)

Machine-learning interatomic potentials from a users perspective: A comparison of accuracy, speed and data efficiency
by: Leimeroth, Niklas, et al.
Published: (2025)

Chemo-mechanical coupling stabilizes mixed $\mathrm{Ag}_{x}\mathrm{Cu}_{1-x}\mathrm{GaSe}_{2}$ solar-cell absorbers: Insights from Monte-Carlo simulations assisted by ab initio informed machine-learning potentials
by: Karanikolas, Vasilios, et al.
Published: (2026)

Coexistence of multi-scale domains in ferroelectric polycrystals with non-uniform grain-size distributions
by: Wolk, K., et al.
Published: (2024)

First-principles investigation of small polarons in rhombohedral NaNbO$_{3}$
by: Amirabbasi, Mohammad, et al.
Published: (2026)

Modelling atomic and nanoscale structure in the silicon-oxygen system through active machine learning
by: Erhard, Linus C., et al.
Published: (2023)

How semiconducting are ferroelectrics: The fundamental, optical and transport gaps of Na$_{0.5}$Bi$_{0.5}$TiO$_3$-BaTiO$_3$ and NaNbO$_{3}$
by: Hu, Pengcheng, et al.
Published: (2026)

Chemical heterogeneity at conducting ferroelectric domain walls
by: Hunnestad, Kasper A., et al.
Published: (2026)

Why hole polaron formation on oxygen is limiting the Fermi level in Fe acceptor doped BaTiO$_{3}$ under oxidizing conditions
by: Amirabbasi, Mohammad, et al.
Published: (2026)

Strain-induced bent domains in ferroelectric nitrides
by: Jiang, Zhijun, et al.
Published: (2024)

Polarization transfer force on ferroelectric domain walls
by: Yang, Huanhuan, et al.
Published: (2026)

Thermodynamic stabilization and electronic effects of oxygen vacancies at BiFeO$_3$ neutral ferroelectric domain walls
by: Zhao, Guo-Dong, et al.
Published: (2025)

Grain Boundary Transport in the Argyrodite‐Type Li6PS5Br Solid Electrolyte: Influence of Misorientation and Anion Disorder on Li Ion Mobility
by: Marcel Sadowski, et al.
Published: (2024)

Physical discovery in representation learning via conditioning on prior knowledge: applications for ferroelectric domain dynamics
by: Liu, Yongtao, et al.
Published: (2022)

Epitaxial ferroelectric hafnia stabilized by symmetry constraints
by: Zhu, Tianyuan, et al.
Published: (2023)

Understanding correlations in BaZrO3:Structure and dynamics on the nano-scale
by: Fransson, Erik, et al.
Published: (2023)

Hierarchical domain structures in buckled ferroelectric free sheets
by: Pesquera, David, et al.
Published: (2024)

Effect of the depolarizing field on the domain structure of an improper ferroelectric
by: Müller, Aaron Merlin, et al.
Published: (2023)

Intrinsic conductance of ferroelectric domain walls
by: Yang, Feng
Published: (2024)

Reversible long-range domain wall motion in an improper ferroelectric
by: Zahn, M., et al.
Published: (2024)

Hybrid antiferroelectric-ferroelectric domain walls in noncollinear antipolar oxides
by: Ushakov, Ivan N., et al.
Published: (2025)

Autonomous scanning probe microscopy with hypothesis learning: Exploring the physics of domain switching in ferroelectric materials
by: Liu, Yongtao, et al.
Published: (2022)

Non-reciprocal neutral ferroelectric domain walls in BiFeO3
by: Goncalves, M. A. P., et al.
Published: (2024)

A defect-chemistry-informed phase-field model of grain growth in oxide ceramics: application to Fe-doped SrTiO3
by: Wang, Kai, et al.
Published: (2024)

Correlated domain and crystallographic orientation mapping in uniaxial ferroelectric polycrystals by interferometric vector piezoresponse force microscopy
by: Dragland, Ruben, et al.
Published: (2026)

Characteristic ferroelectric domains and their dynamic behavior in ordered Pb(Sc$_{1/2}$Nb$_{1/2}$)O$_{3}$
by: Nakajima, Hiroshi, et al.
Published: (2025)

Intrinsic threshold electric field for domain wall motion in ferroelectrics based on discretized phase-field model
by: Tian, Huanhuan, et al.
Published: (2024)

Contact-free reversible switching of improper ferroelectric domains by electron and ion irradiation
by: Roede, Erik D., et al.
Published: (2020)

Post-synthesis tuning of dielectric constant via ferroelectric domain wall engineering
by: Zhou, L., et al.
Published: (2024)