Copertina

Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Jeffries, Jacob, Singh, Himanshu, Perriot, Romain, Negre, Christian, Redondo, Antonio, Martinez, Enrique
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Materials Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

A generalized and adaptable tensor-contraction-based cluster expansion formalism for multicomponent solids
di: Jeffries, Jacob, et al.
Pubblicazione: (2025)

First-principles transition-state tensorial cluster expansion of vacancy diffusion in Ta-W beyond the kinetically-resolved activation approximation
di: Jeffries, Jacob, et al.
Pubblicazione: (2026)

Thermal gradient effect on hydrogen transport in tungsten
di: Alturk, Sanad, et al.
Pubblicazione: (2025)

A general statistical framework for vacancy and self-interstitial properties in concentrated multicomponent solids
di: Jeffries, Jacob, et al.
Pubblicazione: (2026)

Prediction of defect properties in concentrated solid solutions using a Langmuir-like model
di: Jeffries, Jacob, et al.
Pubblicazione: (2024)

Diffusion in a $d$-dimensional rough potential
di: Jeffries, Jacob, et al.
Pubblicazione: (2025)

Effect of size dependent strain at various coverage on island formation: Kinetic Monte Carlo study
di: Aryal, Ganesh
Pubblicazione: (2024)

Ab initio Monte Carlo prediction of order-to-disorder transitions in multicomponent MXenes
di: Oyeniran, Noah, et al.
Pubblicazione: (2026)

A Self-Evolving Machine-Learning-Based Kinetic Monte Carlo Method for Modelling Thin-Film Growth
di: Kimari, Jyri, et al.
Pubblicazione: (2026)

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

Scaling Kinetic Monte-Carlo Simulations of Grain Growth with Combined Convolutional and Graph Neural Networks
di: Tian, Zhihui, et al.
Pubblicazione: (2025)

Understanding Substrate Effects on Two-Dimensional MoS2 Growth: a Kinetic Monte Carlo Approach
di: Aldana, Samuel, et al.
Pubblicazione: (2024)

Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
di: Wines, Daniel, et al.
Pubblicazione: (2024)

Deep Learning-Accelerated Dynamic Kinetic Monte Carlo Simulation for Hydrogen Transport in Tungsten
di: Saito, Seiki, et al.
Pubblicazione: (2026)

Negative Strain-Rate Sensitivity in Metallic Glasses Driven by Rejuvenation-Relaxation Competition: Kinetic Monte Carlo Simulations and a Minimal Effective Model
di: Niiyama, Tomoaki, et al.
Pubblicazione: (2026)

Kinetic Monte Carlo Modelling of Nano-oxide Precipitation and its Associated Stability under Neutron Irradiation for the Fe-Ti-Y-O system
di: Nellis, Christopher, et al.
Pubblicazione: (2022)

Graph convolutional network for predicting abnormal grain growth in Monte Carlo simulations of microstructural evolution
di: Cohn, Ryan, et al.
Pubblicazione: (2021)

Monte Carlo Simulations of Crystal Defects in Open Ensembles
di: Walsh, Flynn, et al.
Pubblicazione: (2025)

Accelerating off-lattice kinetic Monte Carlo simulations to predict hydrogen vacancy-cluster interactions in $α$-Fe
di: Williams, C. J., et al.
Pubblicazione: (2022)

Learning Kinetic Monte Carlo stochastic dynamics with Deep Generative Adversarial Networks
di: Lanzoni, Daniele, et al.
Pubblicazione: (2025)

Design Kinetic Parameters for Improved Resilience of Materials under Irradiation
di: Nahavandian, Mohammadhossein, et al.
Pubblicazione: (2024)

Hybrid Monte Carlo Metadynamics (hybridMC-MetaD)
di: Zhao, Charlotte Shiqi, et al.
Pubblicazione: (2025)

Melting of atomic hydrogen and deuterium with path-integral Monte Carlo
di: Ly, Kevin K., et al.
Pubblicazione: (2024)

3D lattice Monte Carlo modeling of morphology formation of Si/SiOx nanocomposites during phase separation of nonstoichiometric Si oxide films
di: Oliinyk, Ivan, et al.
Pubblicazione: (2025)

Graphene-hBN interlayer interactions from quantum Monte Carlo
di: Krongchon, Kittithat, et al.
Pubblicazione: (2025)

Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap prediction
di: Shin, Hyeondeok, et al.
Pubblicazione: (2024)

Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom
di: Ahn, Jeonghwan, et al.
Pubblicazione: (2025)

CLAMM: a spin CLuster expansion--Monte Carlo toolkit for Alloys and Magnetic Materials
di: Blankenau, Brian, et al.
Pubblicazione: (2025)

Magnetic and Magnetocaloric Properties of a C$_{20}$ Fullerene Structure: Monte Carlo Study
di: Jabar, A., et al.
Pubblicazione: (2024)

Sensitivity of grain-averaged elastic strain and orientation predictions on the mesh density and boundary conditions in crystal plasticity finite element simulations
di: Lethoba, Jeremiah, et al.
Pubblicazione: (2026)

Influence of Ni Doping on the Structural, Morphological, Optical, and Electrical Properties of Nanocrystalline Cd1-xMnxS Thin Films
di: Pathok, Himanshu Sharma, et al.
Pubblicazione: (2026)

Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code
di: Needs, R. J., et al.
Pubblicazione: (2020)

SMC-X: A Distributed Scalable Monte Carlo Simulation Method for Chemically Complex Alloys
di: Liu, Xianglin, et al.
Pubblicazione: (2025)

Elementary Monte Carlo model of the anisotropic recrystallization and antiripening under intensive stirring and high supersaturations
di: Abakumov, Serhii, et al.
Pubblicazione: (2025)

Towards Computational Microscope of Chemical Order-Disorder via ML-Accelerated Monte Carlo Simulation
di: Zhou, Fanli, et al.
Pubblicazione: (2026)

Nonmagnetic Ground State of Rutile RuO$_2$ from Diffusion Quantum Monte Carlo
di: Ahn, Jeonghwan, et al.
Pubblicazione: (2026)

Unravelling H$_2$ chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo
di: Al-Hamdani, Yasmine S., et al.
Pubblicazione: (2023)

Two-dimensional ferromagnetic semiconductor Cr2XP: First-principles calculations and Monte Carlo simulations
di: Wei, Xiao-Ping, et al.
Pubblicazione: (2024)

The influence of dislocations on R-phase transformations in a NiTi shape memory alloy
di: Vashishtha, Himanshu, et al.
Pubblicazione: (2024)

High-Performance Thermoelectric Properties of Half-Heusler CoHfSi: A First-Principles Study with Temperature-Dependent Relaxation Time
di: Matth, Sadhana, et al.
Pubblicazione: (2024)