We study the kinetics of vapor-liquid and vapor-solid phase separation of a hydrodynamics preserving three-dimensional one-component Lennard Jones system in the presence of an external gravitational field using extensive molecular dynamic simulation. A bicontinuous domain structure is formed when the homogeneous system near the critical density is quenched inside the coexistence region. In the absence of gravity, the domain morphology is statistically self-similar and the length scale grows as per the existing laws. However, the presence of gravity destroys the isotropy of the system and affects the scaling laws. We observe an accelerated domain growth in the direction of the field which resembles a sedimentation process. Consequently, a new length scale emerges which strongly depends on the field strength. Similar behavior is observed in the direction perpendicular to the applied field, with a different growth rate. Finally, the statistical self-similarity of the domain growth and the Porod law in such anisotropic systems is verified in terms of two-point equal time order parameter correlation function and static structure factor.
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http://dx.doi.org/10.1039/d4sm01055h | DOI Listing |
Soft Matter
January 2025
Department of Physics, School of Advanced Sciences, Vellore Institute of Technology, Vellore, Tamil Nadu 632014, India.
We study the kinetics of vapor-liquid and vapor-solid phase separation of a hydrodynamics preserving three-dimensional one-component Lennard Jones system in the presence of an external gravitational field using extensive molecular dynamic simulation. A bicontinuous domain structure is formed when the homogeneous system near the critical density is quenched inside the coexistence region. In the absence of gravity, the domain morphology is statistically self-similar and the length scale grows as per the existing laws.
View Article and Find Full Text PDFNano Lett
November 2024
Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.
Due to their flexible geometry, in-plane selective area grown (SAG) nanowires (NWs) encompass the advantages of vapor-liquid-solid NWs and planar structures. The complex interplay of growth kinetics and NW dimensions provides new pathways for crystal engineering; however, their growth mechanisms remain poorly understood. We analyze the growth mechanisms of GaAs(Sb) and InGaAs/GaAs(Sb) in-plane SAG NWs using molecular beam epitaxy (MBE).
View Article and Find Full Text PDFJ Chem Phys
October 2024
Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA.
Chemical reactions and vapor-liquid equilibria for molten lithium hydroxide (LiOH) were studied using molecular dynamics simulations and a deep potential (DP) model. The neural network for the model was trained on quantum density functional theory data for a range of conditions. The DP model allows simulations over timescales of hundreds of ns, which provide equilibrium compositions for the systems of interest.
View Article and Find Full Text PDFNanomaterials (Basel)
August 2024
Submicron Heterostructures for Microelectronics, Research and Engineering Center RAS, Politekhnicheskaya Street, 26, 194021 St. Petersburg, Russia.
Compositional control over vapor-liquid-solid III-V ternary nanowires based on group V intermix (VLS IIIVV NWs) is complicated by the presence of a catalyst droplet with extremely low and hence undetectable concentrations of group V atoms. The liquid-solid and vapor-solid distributions of IIIVV NWs at a given temperature are influenced by the kinetic parameters (supersaturation and diffusion coefficients in liquid, V/III flux ratio in vapor), temperature and thermodynamic constants. We analyze the interplay of the kinetic and thermodynamic factors influencing the compositions of VLS IIIVV NWs and derive a new vapor-solid distribution that contains only one parameter of liquid, the ratio of the diffusion coefficients of dissimilar group V atoms.
View Article and Find Full Text PDFJ Chem Phys
April 2024
Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.
The focus of our study is an in-depth investigation of the quantum effects associated with the surface tension and other thermodynamic properties of nanoscopic liquid drops. The behavior of drops of quantum Lennard-Jones fluids is investigated with path-integral Monte Carlo simulations, and the test-area method is used to determine the surface tension of the spherical vapor-liquid interface. As the thermal de Broglie wavelength, λB, becomes more significant, the average density of the liquid drop decreases, with the drop becoming mechanically unstable at large wavelengths.
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