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We investigate the effect of pressure on the carbon dioxide (CO$_{2}$) hydrate-water interfacial free energy along its dissociation line using advanced computer simulation techniques. In previous works, we have determined the interfacial…
Bubbles play an important role in the transport of chemicals and nutrients in many natural and industrial flows. Their dispersion is crucial to understand the mixing processes in these flows. Here we report on the dispersion of millimetric…
Thermal decomposition behaviors of TiH2 powder under a flowing helium atmosphere and in a low vacuum condition have been studied by using in-situ EXAFS technique. By an EXAFS analysis containing the multiple scattering paths including H…
Understanding the process of multiphase fluid flow through porous media is crucial for many climate change mitigation technologies, including CO$_2$ geological storage, hydrogen storage, and fuel cells. However, current numerical models are…
We present a computational study into the adsorption properties of CO$_2$ on amorphous and crystalline water surfaces under astrophysically relevant conditions. Water and carbon dioxide are two of the most dominant species in the icy…
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [J. Chem. Phys.…
[Abridged] Observations of protoplanetary disks suggest that they are depleted in gas-phase CO. It has been posed that gas-phase CO is chemically consumed and converted into less volatile species through gas-grain processes. Observations of…
We consider the liquid-vapor type phase transition for fluids confined within spatially periodic external fields. For a fluid in d=3 dimensions, the periodic field induces an additional phase, characterized by large density modulations…
This is the first paper in a series where we study the influence of turbulent diffusion and advective transport on the chemical evolution of protoplanetary disks, using a 2D flared disk model and a 2D mixing gas-grain chemical code with…
An outstanding characteristic of porous media, desired in many applications, is the large surface area, which facilitates solid-fluid interactions, making porous media an extreme case in colloid and interface science. In two-fluid systems,…
Quantum phase slips, i.e the primary excitations in one-dimensional superfluids at low temperature, have been well characterized in most condensed-matter systems, with the notable exception of ultracold quantum gases. Here we present our…
We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…
We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N + 1-component phase field models to investigate interface shapes and flow…
In the computation of multiphase flow with mass transfer, the large disparity between the length and time scale of the mass transfer and the fluid flow demand excessive grid resolution for fully resolved simulation of such flow. We have…
The description of molecular motion by macroscopic hydrodynamics has a long and continuing history. The Stokes-Einstein relation between the diffusion coefficient of a solute and the solvent viscosity predicted using macroscopic continuum…
The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases,…
The work discusses specifics of phase transitions for metastable states of substances. The objects of condensed media physics are primarily equilibrium states of substances with metastable phases viewed as an exception, while the…
Subduction is a crucial part of the long-term water and carbon cycling between Earth's exosphere and interior. However, there is broad disagreement over how much water and carbon is liberated from subducting slabs to the mantle wedge and…
Bubble growth, departure and sliding in low-pressure flow boiling has received considerable attention in the past. However, most applications of boiling heat transfer rely on high-pressure flow boiling, for which very little is known, as…
The dynamics of ultrafast energy transfer to water clusters and to bulk water by a highly intense, sub-cycle THz pulse of duration $\approx$~150~fs is investigated in the context of force-field molecular dynamics simulations. We focus our…