Nucleation rate analysis of methane hydrate from molecular dynamics simulations
Clathrate hydrates are solid crystalline structures most commonly formed from solutions that
have nucleated to form a mixed solid composed of water and gas. Understanding the …
have nucleated to form a mixed solid composed of water and gas. Understanding the …
Crystal growth kinetics in BaS semiconductor: Molecular dynamics simulation and theoretical calculations
Understanding the liquid-solid phase transition mechanisms and dynamics is of boundless
scientific significance, and holds enormous technological relevance in designing mono or …
scientific significance, and holds enormous technological relevance in designing mono or …
Kinetic analysis of homogeneous droplet nucleation using large-scale molecular dynamics simulations
Studies on homogeneous nucleation have been conducted for decades, but a large gap
between experiment and theory persists when evaluating the nucleation rate because the …
between experiment and theory persists when evaluating the nucleation rate because the …
[HTML][HTML] Analysis of heterogeneous water vapor uptake by metal iodide cluster ions via differential mobility analysis-mass spectrometry
D Oberreit, VK Rawat, C Larriba-Andaluz… - The Journal of …, 2015 - pubs.aip.org
The sorption of vapor molecules onto pre-existing nanometer sized clusters is of importance
in understanding particle formation and growth in gas phase environments and devising gas …
in understanding particle formation and growth in gas phase environments and devising gas …
Numerical investigation of effects of particle properties on nucleation process in a sulfuric acid–water vapor mixture: Homogeneous versus heterogeneous
The pollution caused by sulfuric acid mist emissions has attracted attention due to demand
of low emissions. In this work, molecular dynamics simulation was used to investigate effects …
of low emissions. In this work, molecular dynamics simulation was used to investigate effects …
Decoding crystal growth kinetics and structural evolution in supercooled ZnSe by molecular dynamics simulation
Crystallization is a vital process in nature and technology; however, the detailed microscopic
mechanisms of crystal nucleation and growth in most materials and the associated …
mechanisms of crystal nucleation and growth in most materials and the associated …
[HTML][HTML] Nucleus-size pinning for determination of nucleation free-energy barriers and nucleus geometry
AK Sharma, FA Escobedo - The Journal of chemical physics, 2018 - pubs.aip.org
Classical Nucleation Theory (CNT) has recently been used in conjunction with a seeding
approach to simulate nucleation phenomena at small-to-moderate supersaturation …
approach to simulate nucleation phenomena at small-to-moderate supersaturation …
Nanoparticle growth analysis by molecular dynamics: Cubic seed
Growth of a cubic nanoparticle was studied by classical molecular dynamics simulation for
three seed sizes in nine different supersaturation ratios. Similar to the spherical seed in our …
three seed sizes in nine different supersaturation ratios. Similar to the spherical seed in our …
Molecular dynamics study of water molecules nucleation for fine particle removal: Effects of wettability and aggregation modes and comparison with experiment
Water vapor nucleation on particle's surface plays an important role in dust removal, cloud
formation, and particle measurement. However, the selectivity of nucleation sites and the …
formation, and particle measurement. However, the selectivity of nucleation sites and the …
A molecular dynamics study of water vapor nucleation in the presence of ions
C Zhang, Y Wang, Y Liu, Y Yang - Chemical Engineering Science, 2015 - Elsevier
Ions make a significant contribution to the nucleation dynamics of aqueous aerosol particles,
but the understanding about microscopic mechanism is insufficient. In this paper, molecular …
but the understanding about microscopic mechanism is insufficient. In this paper, molecular …