Cover Image

Mechanism and kinetics of sodium diffusion in Na-feldspar from neural network based atomistic simulations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Gorfer, Alexander, Abart, Rainer, Dellago, Christoph
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Structure and thermodynamics of defects in Na-feldspar from a neural network potential
by: Gorfer, Alexander, et al.
Published: (2024)

Thermodynamics of alkali feldspar solid solutions with varying Al-Si order: atomistic simulations using a neural network potential
by: Gorfer, Alexander, et al.
Published: (2024)

Sodium diffusion in alkali feldspars: Towards the impact of Al/Si ordering
by: Kulitckaya, Olga, et al.
Published: (2024)

Unsupervised identification of crystal defects from atomistic potential descriptors
by: Kývala, Lukáš, et al.
Published: (2024)

Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
by: Romano, Salvatore, et al.
Published: (2024)

Structure of the water/magnetite interface from sum frequency generation experiments and neural network based molecular dynamics simulations
by: Romano, Salvatore, et al.
Published: (2024)

Hydrogen diffusion in garnet: insights from atomistic simulations
by: Zhong, Xin, et al.
Published: (2024)

Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
by: Kocer, Emir, et al.
Published: (2025)

The impact of alloying elements on the precipitation stability and kinetics in iron based alloys: An atomistic study
by: Bonny, Giovanni, et al.
Published: (2025)

Towards predictive atomistic simulations of SiC crystal growth
by: Reichmann, Alexander, et al.
Published: (2025)

Model selection in atomistic simulation
by: Moussa, Jonathan E.
Published: (2023)

Orb-v3: atomistic simulation at scale
by: Rhodes, Benjamin, et al.
Published: (2025)

Dislocation dynamics in Ni-based superalloys: Parameterising dislocation trajectories from atomistic simulations
by: Anis, Geraldine, et al.
Published: (2023)

Long-term atomistic finite-temperature substitutional diffusion
by: Saxena, Shashank, et al.
Published: (2025)

Double layer in ionic liquids: capacitance vs. temperature from atomistic simulations
by: Ers, Heigo, et al.
Published: (2022)

Ductility mechanisms in complex concentrated refractory alloys from atomistic fracture simulations
by: Wang, Wenqing, et al.
Published: (2025)

Ontology-based knowledge graph infrastructure for interoperable atomistic simulation data
by: Guzman, Abril Azocar, et al.
Published: (2026)

Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations
by: Allera, Arnaud, 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)

Automated atomistic simulations of dissociated dislocations with ab initio accuracy
by: Mismetti, Laura, et al.
Published: (2023)

TorchSim: An efficient atomistic simulation engine in PyTorch
by: Cohen, Orion, et al.
Published: (2025)

Analyzing coherent phonon mode-conversion in gradient superlattices with atomistic wave-packet simulations
by: Doe, Evan Wallace, et al.
Published: (2026)

Neural operator accelerated atomistic to continuum concurrent multiscale simulations of viscoelasticity
by: Sohail, Tanvir, et al.
Published: (2026)

High-performance magnesium/sodium hybrid ion battery based on sodium vanadate oxide for reversible storage of Na+ and Mg2+
by: Wang, Xiaoke, et al.
Published: (2024)

Etching-to-deposition transition in SiO$_2$/Si$_3$N$_4$ using CH$_x$F$_y$ ion-based plasma etching: An atomistic study with neural network potentials
by: An, Hyungmin, et al.
Published: (2025)

Force field optimization by end-to-end differentiable atomistic simulation
by: Gangan, Abhijeet S., et al.
Published: (2024)

Fast and accurate quasi-atom method for simultaneous atomistic and continuum simulation of solids
by: Chuprov, Artem, et al.
Published: (2026)

Upscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries
by: Yang, Yuan-Chi, et al.
Published: (2025)

Capturing thin-film microstructure contributions during ultrafast laser-metal interactions using atomistic simulations
by: Ganesan, Hariprasath, et al.
Published: (2024)

Towards knowledge-based workflows: a semantic approach to atomistic simulations for mechanical and thermodynamic properties
by: Guzman, Abril Azocar, et al.
Published: (2026)

Autonomous interpretation of atomistic scattering data
by: Anker, Andy S., et al.
Published: (2025)

Control of Cu morphology on TaN barrier and combined Ru-TaN barrier/liner substrates for nanoscale interconnects from atomistic kinetic Monte Carlo simulations
by: Aldana, Samuel, et al.
Published: (2024)

i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
by: Litman, Yair, et al.
Published: (2024)

Development and validation of an electron temperature-dependent interaction potential for silicon and copper for the use in atomistic simulations of laser ablation
by: Kümmel, Simon, et al.
Published: (2025)

Electrochemical performance and diffusion kinetics of a NASICON type Na$_{3.3}$Mn$_{1.2}$Ti$_{0.75}$Mo$_{0.05}$(PO$_4$)$_3$/C cathode for low-cost sodium-ion batteries
by: Sharma, Madhav, et al.
Published: (2025)

High-dose long-time defect evolution in tungsten studied by atomistically informed Object Kinetic Monte Carlo simulations
by: Wu, Jintong, et al.
Published: (2024)

Finite-temperature grain boundary properties from quasistatic atomistics
by: Spínola, Miguel, et al.
Published: (2024)

Accelerating structure search using atomistic graph-based classifiers
by: Slavensky, Andreas Møller, et al.
Published: (2024)

Probing trade-off between critical size and velocity in cold-spray: An atomistic simulation
by: Ghasemi, Mahyar, et al.
Published: (2024)

Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction
by: Chen, Renai, et al.
Published: (2023)