Quantifying and Visualizing the Microscopic Degrees of Freedom of Grain Boundaries in the Wigner-Seitz Cell of the Displacement-Shift-Complete Lattice
Fuente:
arXiv
Saved in:
| Main Authors: | Winter, Ian S., Frolov, Timofey |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Wigner-Seitz truncated TDDFT approach for the calculation of exciton binding energies in solids
by: Arruabarrena, M., et al.
Published: (2023)
by: Arruabarrena, M., et al.
Published: (2023)
Quasi-aperiodic grain boundary phases of Σ5 tilt grain boundaries in refractory metals
by: Chen, Enze, et al.
Published: (2025)
by: Chen, Enze, et al.
Published: (2025)
Ductility and Brittle Fracture of Tungsten by Disconnection Pile-up on Twin Boundaries
by: Hussein, Omar, et al.
Published: (2026)
by: Hussein, Omar, et al.
Published: (2026)
Monte Carlo Simulations of Crystal Defects in Open Ensembles
by: Walsh, Flynn, et al.
Published: (2025)
by: Walsh, Flynn, et al.
Published: (2025)
The Dislocation Content of Triple Junctions
by: Winter, Ian S, et al.
Published: (2026)
by: Winter, Ian S, et al.
Published: (2026)
Topological grain boundary segregation transitions
by: Devulapalli, Vivek, et al.
Published: (2024)
by: Devulapalli, Vivek, et al.
Published: (2024)
Grain Boundary Defect Production during Successive Displacement Cascades on a Tungsten Surface
by: Zhang, Yang, et al.
Published: (2024)
by: Zhang, Yang, et al.
Published: (2024)
Grand canonically optimized grain boundary phases in hexagonal close-packed titanium
by: Chen, Enze, et al.
Published: (2024)
by: Chen, Enze, et al.
Published: (2024)
Engineering Spin Splitting in Antiferromagnets by Superatoms with Internal Degree of Freedom
by: Ma, Fengxian, et al.
Published: (2025)
by: Ma, Fengxian, et al.
Published: (2025)
Fundamental Microscopic Properties as Predictors of Large-Scale Quantities of Interest: Validation through Grain Boundary Energy Trends
by: Jasperson, Benjamin A., et al.
Published: (2024)
by: Jasperson, Benjamin A., et al.
Published: (2024)
Kinetic and Equilibrium Shapes of Cylindrical Grain Boundaries
by: Qiu, Anqi, et al.
Published: (2024)
by: Qiu, Anqi, et al.
Published: (2024)
Microscopic Insights into Fatigue Mechanism in Wurtzite Ferroelectric Al$_{0.65}$Sc$_{0.35}$N: Oxygen Infiltration Enabled Grain Amorphization Spanning Boundary to Bulk
by: Wang, Ruiqing, et al.
Published: (2024)
by: Wang, Ruiqing, et al.
Published: (2024)
Grand canonical generative diffusion model for crystalline phases and grain boundaries
by: Lei, Bo, et al.
Published: (2024)
by: Lei, Bo, et al.
Published: (2024)
An Experimentally Informed Continuum Grain Boundary Model
by: Ansari, Syed, et al.
Published: (2022)
by: Ansari, Syed, et al.
Published: (2022)
Intrinsic Grain Boundary Shear Coupling Tensor
by: Song, Xinyuan, et al.
Published: (2023)
by: Song, Xinyuan, et al.
Published: (2023)
SpinMultiNet: Neural Network Potential Incorporating Spin Degrees of Freedom with Multi-Task Learning
by: Ueno, Koki, et al.
Published: (2024)
by: Ueno, Koki, et al.
Published: (2024)
Microscopic Observation of Non-Ergodic States in Two-Dimensional Non-Topological Bubble Lattices
by: Pylypenko, S., et al.
Published: (2025)
by: Pylypenko, S., et al.
Published: (2025)
Interplay of Valley, Orbital, Spin, and Layer Degrees of Freedom in Ta$_2$CS$_2$ MXene
by: Dutta, Kunal, et al.
Published: (2026)
by: Dutta, Kunal, et al.
Published: (2026)
Grain Boundary Segregation Models for High-Entropy Alloys: Theoretical Formulation and Derived Analytical Expressions to Elucidate High-Entropy Grain Boundaries
by: Luo, Jian
Published: (2024)
by: Luo, Jian
Published: (2024)
Prediction of A15 Tilt Grain Boundary Structures
by: Zou, Wenwen, et al.
Published: (2025)
by: Zou, Wenwen, et al.
Published: (2025)
Disruptive Atomic Jumps Induce Grain Boundary Stagnation
by: Song, Xinyuan, et al.
Published: (2024)
by: Song, Xinyuan, et al.
Published: (2024)
Designing for Cooperative Grain Boundary Segregation in Multicomponent Alloys
by: Wagih, Malik, et al.
Published: (2024)
by: Wagih, Malik, et al.
Published: (2024)
Multiscale Modeling of Abnormal Grain Growth: Role of Solute Segregation and Grain Boundary Character
by: Linda, Albert, et al.
Published: (2025)
by: Linda, Albert, et al.
Published: (2025)
A Grain Boundary Embrittlement Genome for Substitutional Cubic Alloys
by: Tuchinda, Nutth, et al.
Published: (2025)
by: Tuchinda, Nutth, et al.
Published: (2025)
Nanoconfined Grain Boundaries Increase Conductivity of Polycrystalline Molecular Crystals
by: Paul, Shujit Chandra, et al.
Published: (2025)
by: Paul, Shujit Chandra, et al.
Published: (2025)
Secondary Grain Boundary Dislocations Alter Segregation Energy Spectra
by: Chen, Xinren, et al.
Published: (2024)
by: Chen, Xinren, et al.
Published: (2024)
Quantifying the Complexity of Materials with Assembly Theory
by: Patarroyo, Keith Y, et al.
Published: (2025)
by: Patarroyo, Keith Y, et al.
Published: (2025)
Integrative Mobility Model For Grain-Boundary-Limited Transport In Thermoelectric Compounds
by: Yusuf, Gbadebo Taofeek, et al.
Published: (2024)
by: Yusuf, Gbadebo Taofeek, et al.
Published: (2024)
Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes
by: Xie, Weihang, et al.
Published: (2023)
by: Xie, Weihang, et al.
Published: (2023)
Segregation-Controlled Diffusion-Induced Grain Boundary Migration in Alloy 690
by: Jiang, Yuntian, et al.
Published: (2026)
by: Jiang, Yuntian, et al.
Published: (2026)
Impact of an electron Wigner crystal on exciton propagation
by: Erkensten, Daniel, et al.
Published: (2025)
by: Erkensten, Daniel, et al.
Published: (2025)
$Σ$3(111) Grain Boundaries Accelerate Hydrogen Insertion into Palladium Nanostructures
by: Madhushani, K. A. U., et al.
Published: (2025)
by: Madhushani, K. A. U., et al.
Published: (2025)
Grain Boundary Segregation and Embrittlement of Aluminum Binary Alloys from First Principles
by: Tuchinda, Nutth, et al.
Published: (2025)
by: Tuchinda, Nutth, et al.
Published: (2025)
SLIDE: Automated Identification and Quantification of Grain Boundary Sliding and Opening in 3D
by: Mornout, C. J. A., et al.
Published: (2025)
by: Mornout, C. J. A., et al.
Published: (2025)
Grain Boundary Segregation Spectra from a Generalized Machine-learning Potential
by: Tuchinda, Nutth, et al.
Published: (2025)
by: Tuchinda, Nutth, et al.
Published: (2025)
Atomic-Scale Investigation of an Asymmetric SrTiO$_{3}$ Grain Boundary
by: Rybak, Janina Malin, et al.
Published: (2025)
by: Rybak, Janina Malin, 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)
by: Kamachali, Reza Darvishi, et al.
Published: (2025)
Grain Boundary Segregation Predicted by Quantum-Accurate Segregation Spectra but not by Classical Models
by: Wagih, Malik, et al.
Published: (2023)
by: Wagih, Malik, et al.
Published: (2023)
Quasiperiodic [110] Symmetric Tilt FCC Grain Boundaries
by: Zou, Wenwen, et al.
Published: (2024)
by: Zou, Wenwen, et al.
Published: (2024)
Practical Crystallography with a Transmission Electron Microscope
by: Weare, Benjamin L., et al.
Published: (2025)
by: Weare, Benjamin L., et al.
Published: (2025)
Similar Items
-
Wigner-Seitz truncated TDDFT approach for the calculation of exciton binding energies in solids
by: Arruabarrena, M., et al.
Published: (2023) -
Quasi-aperiodic grain boundary phases of Σ5 tilt grain boundaries in refractory metals
by: Chen, Enze, et al.
Published: (2025) -
Ductility and Brittle Fracture of Tungsten by Disconnection Pile-up on Twin Boundaries
by: Hussein, Omar, et al.
Published: (2026) -
Monte Carlo Simulations of Crystal Defects in Open Ensembles
by: Walsh, Flynn, et al.
Published: (2025) -
The Dislocation Content of Triple Junctions
by: Winter, Ian S, et al.
Published: (2026)