Image de couverture de livre

SPEA -- an analytical thermodynamic model for defect phase diagram

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Yang, Jing, Abdelkawy, Ahmed, Todorova, Mira, Neugebauer, Jörg
Format:	Preprint
Publié:	2024
Sujets:	Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys
par: Yang, Jing, et autres
Publié: (2022)

Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces
par: Yang, Jing, et autres
Publié: (2025)

User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces
par: Mattoso, Samuel, et autres
Publié: (2025)

First principles approaches and concepts for electrochemical systems
par: Todorova, Mira, et autres
Publié: (2024)

Computing Solvation Shell Dynamics and Energetics in Electron Transfer Reactions via Molecular Dynamics Simulations
par: Wang, Zhenyu, et autres
Publié: (2025)

On the origin of univalent Mg$^+$ ions in solution and their role in anomalous anodic hydrogen evolution
par: Deißenbeck, Florian, et autres
Publié: (2024)

Development of an Atomic Cluster Expansion potential for iron and its oxides
par: Bienvenu, Baptiste, et autres
Publié: (2024)

A first-principles study of Zn induced liquid metal embrittlement at bcc and fcc grain boundaries
par: Saikia, Ujjal, et autres
Publié: (2024)

From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron
par: Menon, Sarath, et autres
Publié: (2024)

A thermodynamic and analytical description on the quantitative phase-field model with enhanced interface diffusivity
par: Li, Yue, et autres
Publié: (2024)

Evaluation and thermodynamic optimization of phase diagram of lithium niobate tantalate solid solutions
par: Bashir, Umar, et autres
Publié: (2024)

Role of defects in the thermodynamic stability of grain boundary phases at asymmetric tilt boundaries in copper
par: Pemma, Swetha, et autres
Publié: (2026)

Quasi‐“In Situ” Analysis of the Reactive Liquid‐Solid Interface during Magnesium Corrosion Using Cryo‐Atom Probe Tomography
par: Tim M. Schwarz, et autres
Publié: (2024)

Defect energy formalism for CALPHAD thermodynamics of dilute point defects: Theory
par: Movaffagh, Amir M. Orvati, et autres
Publié: (2024)

Structure and thermodynamics of defects in Na-feldspar from a neural network potential
par: Gorfer, Alexander, et autres
Publié: (2024)

Atomic cluster expansion interatomic potential for defects and thermodynamics of Cu-W system
par: Pan, Jiahao, et autres
Publié: (2024)

Triple Junctions as Dislocation-Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation
par: Brink, Tobias, et autres
Publié: (2026)

Understanding atom probe's analytical performance for iron oxides using correlation histograms and ab initio calculations
par: Kim, Se-Ho, et autres
Publié: (2024)

The Fe-Ni phase diagram and the Earth's inner core structure
par: Wei, Liangrui, et autres
Publié: (2025)

Automated optimization of convergence parameters in plane wave density functional theory calculations via a tensor decomposition-based uncertainty quantification
par: Janssen, Jan, et autres
Publié: (2021)

A general thermodynamically consistent phase-field-micromechanics model of sintering with coupled diffusion and grain motion
par: Yang, Qingcheng, et autres
Publié: (2024)

Understanding halide segregation in metal halide perovskites through defect thermodynamics
par: Navid, Abrar Fahim, et autres
Publié: (2026)

Experimental electronic phase diagram in a diamond-lattice antiferromagnetic system
par: Ji, Liang-Wen, et autres
Publié: (2024)

Chemically tailored planar defect phases in the Ta-Fe μ-phase
par: Gasper, Christina, et autres
Publié: (2025)

Computing ternary liquid phase diagrams: Fe-Cu-Ni
par: Trinkle, Dallas R.
Publié: (2025)

Taxonomy of amorphous ternary phase diagrams: the importance of interaction parameters
par: Ameslon, Yasin, et autres
Publié: (2025)

Dissecting physics of carbon ordering in bcc iron
par: Waseda, Sam, et autres
Publié: (2024)

A high-throughput ab initio study of elemental segregation and cohesion at ferritic-iron grain boundaries
par: Mai, Han Lin, et autres
Publié: (2025)

Periodic phase diagrams in micromagnetics with an eigenvalue solver
par: Ai, Fangzhou, et autres
Publié: (2024)

aLLoyM: A large language model for alloy phase diagram prediction
par: Oikawa, Yuna, et autres
Publié: (2025)

Navigating phase diagram complexity to guide robotic inorganic materials synthesis
par: Chen, Jiadong, et autres
Publié: (2023)

Nonequilibrium thermodynamic foundation of the grand-potential phase field model
par: Zhang, Jin, et autres
Publié: (2024)

Electric Field-Induced Formation of a 2D Adatom Gas on Cryogenic Li Surfaces
par: Katnagallu, Shyam, et autres
Publié: (2025)

Grain boundary segregation of light elements and their effects on cohesion in ferritic steels
par: Mai, Han Lin, et autres
Publié: (2026)

A quantitative phase-field model for void evolution in defect supersaturated environments: a novel introduction of defect reaction asymmetry
par: Rayaprolu, Sreekar, et autres
Publié: (2023)

Self-organized defect-phases along dislocations in irradiated alloys
par: Saunders, N., et autres
Publié: (2026)

The rise and fall of an oxide: insights into the phase diagram of bismuth oxide on Au(111)
par: Turoldo, Alberto, et autres
Publié: (2026)

Global magnetic phase diagram and multiple unconventional magnets in NiAs-type compounds
par: Shen, Shibo, et autres
Publié: (2026)

Altermagnetic-Like Behavior and Enhanced Coercivity in Ferrimagnets at a Critical Point of an Extended Néel-Diagram
par: Ali, Qais, et autres
Publié: (2026)

Surface phase diagram of CsSnI$_3$ from first-principles calculations
par: Li, Kejia, et autres
Publié: (2024)