:: Library Catalog

Buchumschlag

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Wang, Liqi, Gong, Xuhe, Li, Zicun, Xiao, Ruijuan, Li, Hong
Format:	Preprint
Veröffentlicht:	2025
Schlagworte:	Materials Science
Online-Zugang:	https://arxiv.org/abs/2508.06156
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

High-Throughput NEB for Li-Ion Conductor Discovery via Fine-Tuned CHGNet Potential
von: Lian, Jingchen, et al.
Veröffentlicht: (2025)

Influence of Exchange-Correlation Functionals and Neural Network Architectures on Li$^+$-Ion Conductivity in Solid-State Electrolyte from Molecular Dynamics Simulations with Machine-Learning Force Fields
von: Li, Zicun, et al.
Veröffentlicht: (2025)

High-Entropy Solid Electrolytes Discovery: A Dual-Stage Machine Learning Framework Bridging Atomic Configurations and Ionic Transport Properties
von: Fu, Xiao, et al.
Veröffentlicht: (2025)

EDIS: A Simulation Software for Dynamic Ion Intercalation/Deintercalation Processes in Electrode Materials
von: Wang, Liqi, et al.
Veröffentlicht: (2025)

Atomic insight into Li$^+$ ion transport in amorphous electrolytes Li$_x$AlO$_y$Cl$_{3+x-2y}$ (0.5 $\leq$ x $\leq$ 1.5, 0.25 $\leq$ y $\leq$ 0.75)
von: Qifan, Yang, et al.
Veröffentlicht: (2024)

Li$_{14}$Mn$_{2}$S$_{9}$ and Li$_{10}$Si$_{2}$S$_{9}$ as a pair of all-electrochem-active electrode and solid-state electrolyte with chemical compatibility and low interface resistance
von: Yang, Qifan, et al.
Veröffentlicht: (2024)

Accelerating Amorphous Alloy Discovery: Data-Driven Property Prediction via General-Purpose Machine Learning Interatomic Potential
von: Gong, Xuhe, et al.
Veröffentlicht: (2025)

Gas-solid Reaction Dynamics on Li$_6$PS$_5$Cl Surfaces: A Case Study of the Influence of CO$_2$ and CO$_2$/O$_2$ Atmospheres Using AIMD and MLFF Simulations
von: Li, Zicun, et al.
Veröffentlicht: (2025)

Design principles for amorphous solid-state electrolytes
von: Yang, Qifan, et al.
Veröffentlicht: (2025)

Mechanistic Insights into Temperature Effects for Ionic Conductivity in Li6PS5Cl
von: Li, Zicun, et al.
Veröffentlicht: (2024)

Efficient Learning Strategy for Predicting Glass Forming Ability in Imbalanced Datasets of Bulk Metallic Glasses
von: Gong, Xuhe, et al.
Veröffentlicht: (2024)

Anomalous Sodium Insertion in Highly Oriented Graphite: Thermodynamics, Kinetics and Evidence for Two-Sided Intercalation
von: Gan, Chuanhai, et al.
Veröffentlicht: (2025)

A family of air-stable chalcogenide solid electrolytes in Li$_2$BMQ$_4$ (B = Ca, Sr and Ba; M = Si, Ge and Sn; Q = O, S and Se) systems
von: Mao, Huican, et al.
Veröffentlicht: (2024)

Accelerated Lanthanide Intercalation into Graphite Catalyzed by Na
von: Iyo, Akira, et al.
Veröffentlicht: (2024)

The Behavior of the Intercalant AlCl_4 Anion during the Formation of Graphite Intercalation Compound: An X-ray Absorption Fine Structure Study
von: Greco, Giorgia, et al.
Veröffentlicht: (2024)

Isolated anions induced high ionic conductivity
von: Yang, Qifan, et al.
Veröffentlicht: (2024)

Lifshitz Transition and Band Structure Evolution in Alkali Metal Intercalated 1Tprime-MoTe2
von: Park, Joohyung, et al.
Veröffentlicht: (2023)

A "Magnetic" Machine Learning Interatomic Potential for Nickel
von: Gong, Xiaoguo, et al.
Veröffentlicht: (2023)

Emergent Cooperative Superstructures via Order-Disorder Kinetics in Molecule-Intercalated NbSe2
von: Ueda, Taiga, et al.
Veröffentlicht: (2026)

Harnessing Structural Disorder: Unraveling Hydrogen Evolution in Monolayer Amorphous Carbon via First-Principles Simulations and Machine-Learned Potentials
von: S, Sreehari M, et al.
Veröffentlicht: (2026)

Thermodynamics and Kinetics of Ti2N Formation by N Atom Intercalation in Ti
von: Varalakshmi, J., et al.
Veröffentlicht: (2024)

AI-Guided Design and Optimization of Graphite-Based Anodes via Iterative Experimental Feedback
von: Du, Qian, et al.
Veröffentlicht: (2026)

A Direct Real-Time Observation of Anion Intercalation in Graphite Process and Its Fully Reversibility by SAXS/WAXS Techniques
von: Greco, Giorgia, et al.
Veröffentlicht: (2024)

Voltage Mining for (De)lithiation-stabilized Cathodes and a Machine Learning Model for Li-ion Cathode Voltage
von: Li, Haoming Howard, et al.
Veröffentlicht: (2024)

Competing Hydrogenation Pathways to Metastable CaH$_6$ Revealed by Machine-Learning-Potential Molecular Dynamics
von: Sato, Ryuhei, et al.
Veröffentlicht: (2026)

Ligand-Controlled Phonon Dynamics in CsPbBr3 Nanocrystals Revealed by Machine-Learned Interatomic Potentials
von: Cha, Seungjun, et al.
Veröffentlicht: (2026)

Intercalating Graphite‐Based Na‐Ion Battery Anodes with Integrated Magnetite
von: Rukshan Karunarathna, et al.
Veröffentlicht: (2024)

Revealing the Low Temperature Phase of FAPbI$_3$ using A Machine-Learned Potential
von: Dutta, Sangita, et al.
Veröffentlicht: (2025)

Degradation and SEI Evolution in Alloy Anodes Revealed by Correlative Liquid-Cell Electrochemistry and Cryogenic Microscopy
von: Mulcahy, Neil, et al.
Veröffentlicht: (2025)

Li-P-S Electrolyte Materials as a Benchmark for Machine-Learned Interatomic Potentials
von: Fragapane, Natascia L., et al.
Veröffentlicht: (2025)

Kinetics of Stacking Order Evolution During Heterogeneous Ice Formation
von: Huang, Xudan, et al.
Veröffentlicht: (2026)

Theoretical Studies on Sodium Storage Mechanism in Hard Carbon Anodes of Sodium-Ion Batteries: Molecular Simulations Based on Machine Learning Force Fields
von: Wang, Zhaoming, et al.
Veröffentlicht: (2024)

Universal Machine Learning Interatomic Potentials are Ready for Solid Ion Conductors
von: Du, Hongwei, et al.
Veröffentlicht: (2025)

Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations
von: Goloviznina, Kateryna, et al.
Veröffentlicht: (2024)

Intercalation-Induced Near Room-Temperature Ferromagnetism in CrI3 via Synergistic Exchange Pathways
von: Yang, Qing-Han, et al.
Veröffentlicht: (2025)

Constant-Potential Machine Learning Molecular Dynamics Simulations Reveal Potential-Regulated Cu Cluster Formation on MoS$_{2}$
von: Zhou, Jingwen, et al.
Veröffentlicht: (2024)

Selective Interfacial Repair Enables Low‐Energy Regeneration of Spent LiFePO 4 to High‐Performance Cathode
von: Yajing Yu, et al.
Veröffentlicht: (2026)

Evaluation of Foundational Machine Learned Interatomic Potentials for Migration Barrier Predictions
von: Bheemaguli, Achinthya Krishna, et al.
Veröffentlicht: (2025)

Accurate Screening of Functional Materials with Machine-Learning Potential and Transfer-Learned Regressions: Heusler Alloy Benchmark
von: Xiao, Enda, et al.
Veröffentlicht: (2025)

Development of a Machine Learning Potential to Study Structure and Thermodynamics of Nickel Nanoclusters
von: Banik, Suvo, et al.
Veröffentlicht: (2024)