Cover Image

Bulk versus interface nucleation of CO$_2$ hydrates from computer simulations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Grabowska, Joanna, Blazquez, Samuel, Vega, Carlos, Sanz, Eduardo
Format:	Preprint
Published:	2026
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Solubility of carbon dioxide in water: some useful results for hydrate nucleation
by: Algaba, Jesús, et al.
Published: (2024)

Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations
by: Zerón, I. M., et al.
Published: (2025)

Nanobubble size controls gas hydrate nucleation in supercooled water
by: Kanaujiya, Ramkhelavan, et al.
Published: (2025)

Methane hydrate nucleation frustration and dimensional reduction of structural order under nanoconfinement
by: Torres-Arenas, Jose, et al.
Published: (2026)

Heterogeneous ice nucleation on model substrates
by: Camarillo, Miguel, et al.
Published: (2026)

Effect of substrate mismatch, orientation, and flexibility on heterogeneous ice nucleation
by: Camarillo, Miguel, et al.
Published: (2026)

Lattice matched heterogeneous nucleation eliminate defective buried interface in halide perovskites
by: Ahlawat, Paramvir, et al.
Published: (2024)

Physical simulation of nucleation and crystallization processes in transparent organic melts
by: Nuradinov, A. S, et al.
Published: (2024)

Controlled nucleation in methylamine-treated perovskite films by artificial seeding and phase-field simulations
by: Schütz, Emilia R., et al.
Published: (2025)

Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
by: Di Pasquale, Nicodemo, et al.
Published: (2024)

Phase-field simulations of nucleation, growth, and coarsening of $β_1$ precipitates in Mg-Nd alloys
by: Shi, Lingxia, et al.
Published: (2026)

Geometrical design for pure current-driven domain wall nucleation and shifting
by: Ruiz, David Osuna, et al.
Published: (2024)

Molecular simulation of methane hydrate growth confined into a silica pore
by: Fernández-Fernández, Ángel M., et al.
Published: (2026)

A continuum, computational study of morphogenesis in lithium intermetallic interfaces
by: Shojaei, Mostafa Faghih, et al.
Published: (2024)

Bulk and interface spin-orbit torques in Pt/Co/MgO thin film structures
by: Gabor, M. S., et al.
Published: (2024)

Anomalous entropy-driven kinetics of dislocation nucleation
by: Bagchi, Soumendu, et al.
Published: (2024)

Deterministic nucleation of nanocrystal superlattices on 2D perovskites for light-funneling heterostructures
by: Filippi, Umberto, et al.
Published: (2026)

Towards metal electrode interface scavenging of rare-earth scandates: A Sc2O3 and Gd2O3 study
by: Pampillón, María Ángela, et al.
Published: (2024)

Silicon-monoxide flames: the nucleation and condensation of silica fume
by: Haugen, Nils Erland L., et al.
Published: (2025)

Predicting void nucleation in microstructure with convolutional neural networks
by: Anantharanga, Abhijith Thoopul, et al.
Published: (2025)

Three-dimensional nucleation and growth of deformation twins in magnesium
by: Lee, Sangwon, et al.
Published: (2024)

Substrate-controlled nucleation and growth kinetics in ultrathin Bi$_2$Te$_3$ films
by: Brzozowski, Damian, et al.
Published: (2026)

CO2 adsorption mechanisms in hydrated silica nanopores: Insights from grand canonical Monte Carlo to classical and ab initio molecular dynamics
by: Shi, Jihong, et al.
Published: (2025)

Thermodynamical study of N$_2$ clathrate hydrate from DFT calculations
by: Martin-Gondre, L., et al.
Published: (2025)

Electronic structure of the interface between Au and WSe2
by: Nagireddy, Laxman, et al.
Published: (2025)

The relevance of structural variability in the time-domain for computational reflection anisotropy spectroscopy at solid-liquid interfaces
by: Leist, Justus, et al.
Published: (2023)

Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
by: Blazquez, S., et al.
Published: (2024)

Robustness of classical nucleation theory to chemical heterogeneity of crystal nucleating substrates
by: Vargas, Fernanda Sulantay, et al.
Published: (2025)

Energetics of the nucleation and glide of disconnection modes in symmetric tilt grain boundaries
by: Joshi, Himanshu, et al.
Published: (2025)

A length-scale insensitive cohesive phase-field interface model: application to concurrent bulk and interface fracture simulation in Lithium-ion battery materials
by: Chen, Wan-Xin, et al.
Published: (2024)

Effect of interface on magnetic exchange coupling in Co/Ru/Co trilayer: from ab-initio simulations to micromagnetics
by: Arapan, Sergiu, et al.
Published: (2025)

Machine learning accelerated finite-field simulations for electrochemical interfaces
by: Feng, Chaoqiang, et al.
Published: (2025)

A collapsed interface approach to resolve grain boundaries in finite element simulations of polycrystalline diffusion
by: Scholz, Lena, et al.
Published: (2025)

Accelerating QM/MM simulations of electrochemical interfaces through machine learning of electronic charge densities
by: Grisafi, Andrea, et al.
Published: (2024)

Bulk photovoltaic effect in ferroelectric and antiferroelectric phases of antimony sulphoiodide investigated by means of ab-initio simulations
by: Cuono, Giuseppe, et al.
Published: (2024)

Spontaneous nucleation and growth of GaN nanowires: Fundamental role of crystal polarity
by: Fernández-Garrido, Sergio, et al.
Published: (2024)

Coupled electromigration-nanoindentation study on dislocation nucleation in SrTiO3
by: Okafor, Chukwudalu, et al.
Published: (2025)

How oxygen influences the catalytic activity of iron during carbon nanotube nucleation
by: McLean, Ben, et al.
Published: (2025)

Examination of computed aluminum grain boundary structures and interface energies that span the 5D space of crystallographic character
by: Homer, Eric R., et al.
Published: (2022)

Accelerating and enhancing thermodynamic simulations of electrochemical interfaces
by: Du, Xiaochen, et al.
Published: (2025)