Saved in:
| Main Authors: | Xie, Weihang, Deng, Zeyu, Liu, Zhengyu, Famprikis, Theodosios, Butler, Keith T., Canepa, Pieremanuele |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2312.05294 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes
by: Weihang Xie, et al.
Published: (2024)
by: Weihang Xie, et al.
Published: (2024)
Thermodynamics of Sodium-Lead Alloys for Negative Electrodes from First-Principles
by: Lee, Damien K. J., et al.
Published: (2024)
by: Lee, Damien K. J., et al.
Published: (2024)
Phase Behavior and Ion Transport in Lithium-Niobium-Tantalum Oxide Alloys
by: Chen, Hengning, et al.
Published: (2025)
by: Chen, Hengning, et al.
Published: (2025)
Grain Boundary Space Charge Engineering of Solid Oxide Electrolytes: Model Thin Film Study
by: Defferriere, Thomas, et al.
Published: (2025)
by: Defferriere, Thomas, et al.
Published: (2025)
Entropy-based Active Learning of Graph Neural Network Surrogate Models for Materials Properties
by: Allotey, Johannes, et al.
Published: (2021)
by: Allotey, Johannes, et al.
Published: (2021)
Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density
by: Gopidi, Harshan Reddy, et al.
Published: (2025)
by: Gopidi, Harshan Reddy, et al.
Published: (2025)
Synergetic Enhancement on Bulk and Grain Boundary Ionic Conduction of Mg Doped High-Entropy NASICON-Type Solid Electrolyte for Solid-State Na+ Batteries by Spray Flame Synthesis
by: Wu, Tianyi, et al.
Published: (2025)
by: Wu, Tianyi, et al.
Published: (2025)
Evolutionary Search and Theoretical Study of Silicene Grain Boundaries' Mechanical Properties
by: Zhang, Jianan, et al.
Published: (2023)
by: Zhang, Jianan, et al.
Published: (2023)
Intrinsic Grain Boundary Shear Coupling Tensor
by: Song, Xinyuan, et al.
Published: (2023)
by: Song, Xinyuan, et al.
Published: (2023)
Disruptive Atomic Jumps Induce Grain Boundary Stagnation
by: Song, Xinyuan, et al.
Published: (2024)
by: Song, Xinyuan, et al.
Published: (2024)
Segregation-Controlled Diffusion-Induced Grain Boundary Migration in Alloy 690
by: Jiang, Yuntian, et al.
Published: (2026)
by: Jiang, Yuntian, et al.
Published: (2026)
The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?
by: Walker, Matthew, et al.
Published: (2025)
by: Walker, Matthew, et al.
Published: (2025)
Atomic-Scale Insights into Solute Drag Effects on Grain Boundary Motion in Mg-Al and Mg-Ca Alloys
by: Chen, Zhishun, et al.
Published: (2026)
by: Chen, Zhishun, et al.
Published: (2026)
Search for Active and Inactive Ion Insertion Sites in Organic Crystalline Materials
by: Gopidi, Harshan Reddy, et al.
Published: (2025)
by: Gopidi, Harshan Reddy, et al.
Published: (2025)
Machine Learning Prediction Models for Solid Electrolytes based on Lattice Dynamics Properties
by: Kim, Jiyeon, et al.
Published: (2024)
by: Kim, Jiyeon, et al.
Published: (2024)
Dislocation Transmission Across Tilt Low-Angle Grain Boundaries in BCC Fe: The Role of Elastic Interactions
by: Zhang, Shuai, et al.
Published: (2025)
by: Zhang, Shuai, et al.
Published: (2025)
Exploring material compositions for synthesis using oxidation states
by: Thway, Maung, et al.
Published: (2024)
by: Thway, Maung, et al.
Published: (2024)
Two-Dimensional Graphene-like BeO Sheet: A Promising Deep-Ultraviolet Nonlinear Optical Materials System with Strong and Highly Tunable Second Harmonic Generation
by: Liu, Linlin, et al.
Published: (2025)
by: Liu, Linlin, et al.
Published: (2025)
Grain Boundaries in Ceramic Solid-State Lithium Metal Batteries: A Review
by: Limon, Md Salman Rabbi, et al.
Published: (2025)
by: Limon, Md Salman Rabbi, et al.
Published: (2025)
Leveraging transfer learning for accurate estimation of ionic migration barriers in solids
by: Devi, Reshma, et al.
Published: (2025)
by: Devi, Reshma, et al.
Published: (2025)
Optimal pre-train/fine-tune strategies for accurate material property predictions
by: Devi, Reshma, et al.
Published: (2024)
by: Devi, Reshma, et al.
Published: (2024)
Solute Co-Segregation Mechanisms at Low-Angle Grain Boundaries in Magnesium: A Combined Atomic-Scale Experimental and Modeling Study
by: Pei, Risheng, et al.
Published: (2023)
by: Pei, Risheng, et al.
Published: (2023)
Crystal Structure Generation with Autoregressive Large Language Modeling
by: Antunes, Luis M., et al.
Published: (2023)
by: Antunes, Luis M., et al.
Published: (2023)
Learning disentangled latent representations facilitates discovery and design of functional materials
by: Cha, Jaehoon, et al.
Published: (2025)
by: Cha, Jaehoon, et al.
Published: (2025)
The Role of Temperature on Irradiation Defect Evolution near Surfaces and Grain Boundaries in Tungsten
by: Zhang, Yang, et al.
Published: (2024)
by: Zhang, Yang, et al.
Published: (2024)
The Key Role of Grain Boundary Dynamics in Revolutionizing the Potential of Solid Electrolytes
by: Yangyang Wang, et al.
Published: (2024)
by: Yangyang Wang, et al.
Published: (2024)
Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions
by: Ritz, Ethan T., et al.
Published: (2025)
by: Ritz, Ethan T., et al.
Published: (2025)
A literature-derived dataset of migration barriers for quantifying ionic transport in battery materials
by: Devi, Reshma, et al.
Published: (2025)
by: Devi, Reshma, et al.
Published: (2025)
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)
Modern Solid Electrolytes for All-Solid-State Batteries: Materials Chemistry, Structure, and Transport
by: Butenko, Denys, et al.
Published: (2026)
by: Butenko, Denys, et al.
Published: (2026)
Path Entropy-driven Design of Solid-State Electrolytes
by: Guan, Qiye, et al.
Published: (2024)
by: Guan, Qiye, et al.
Published: (2024)
First-Principles Insights into Metallic Doping Effects on Yttrium {10-10} Grain Boundary
by: Lyu, Guanlin, et al.
Published: (2024)
by: Lyu, Guanlin, et al.
Published: (2024)
Conditional Generative Models Enable Targeted Exploration of MAX Phase Design Space
by: Swain, Jamie, et al.
Published: (2026)
by: Swain, Jamie, et al.
Published: (2026)
Revisiting the Formulation of Charged Defect in Solids
by: Shang, Hanzhi, et al.
Published: (2024)
by: Shang, Hanzhi, et al.
Published: (2024)
Predicting Grain Boundary Segregation in Magnesium Alloys: An Atomistically Informed Machine Learning Approach
by: Xie, Zhuocheng, et al.
Published: (2024)
by: Xie, Zhuocheng, et al.
Published: (2024)
Observing Li Nucleation at Li Metal-Solid Electrolyte Interface in All-Solid-State Batteries
by: An, Yun, et al.
Published: (2024)
by: An, Yun, et al.
Published: (2024)
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)
Electronic Structure at the Perovskite Rubrene Interface: The Effect of Surface Termination
by: Sloane, Nicholas P., et al.
Published: (2024)
by: Sloane, Nicholas P., et al.
Published: (2024)
Raman Spectroscopy Insights into the Reorientational Dynamics of Polyanions in Solid Electrolytes
by: Chen, Jianghai, et al.
Published: (2025)
by: Chen, Jianghai, et al.
Published: (2025)
An Experimentally Informed Continuum Grain Boundary Model
by: Ansari, Syed, et al.
Published: (2022)
by: Ansari, Syed, et al.
Published: (2022)
Similar Items
-
Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes
by: Weihang Xie, et al.
Published: (2024) -
Thermodynamics of Sodium-Lead Alloys for Negative Electrodes from First-Principles
by: Lee, Damien K. J., et al.
Published: (2024) -
Phase Behavior and Ion Transport in Lithium-Niobium-Tantalum Oxide Alloys
by: Chen, Hengning, et al.
Published: (2025) -
Grain Boundary Space Charge Engineering of Solid Oxide Electrolytes: Model Thin Film Study
by: Defferriere, Thomas, et al.
Published: (2025) -
Entropy-based Active Learning of Graph Neural Network Surrogate Models for Materials Properties
by: Allotey, Johannes, et al.
Published: (2021)