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In this paper we investigate the solubility of a hard - sphere gas in a solvent modeled as an associating lattice gas (ALG). The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute free model.…
Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures…
We present a novel python-based 1D sub-Neptune evolution model that emphasizes the thermal evolution and potential solidification of the rock/iron core and the structure of the radiative atmosphere. This model explores planetary structure…
While small, Neptune-like planets are among the most abundant exoplanets, our understanding of their atmospheric structure and dynamics remains sparse. In particular, many unknowns remain on the way moist convection works in these…
The liquid metal-liquid silicate partitioning of molybdenum and tungsten during core formation must be well-constrained in order to understand the evolution of Earth and other planetary bodies, in particular because the Hf-W isotopic system…
Differences in the density dependence of the symmetry energy predicted by nonrelativistic and relativistic models are suggested, at least in part, as the culprit for the discrepancy in the values of the compression modulus of symmetric…
Condensation processes, which are responsible for the main chemical differences between gas and solids in the Galaxy, are the major mechanisms that control the cycle of dust from evolved stars to planetary systems. However, they are still…
The polymorphism and mechanism of helium compounds is crucial for understanding the physical and chemical nature of He-bearing materials under pressures. Here, we predict two new types of He-bearing compounds, MgHe and MgnHe (n = 6, 8, 10,…
Solid-state nanofoaming experiments are conducted on two PMMA grades of markedly different molecular weight using CO$_2$ as the blowing agent. The sensitivity of porosity to foaming time and foaming temperature is measured. Also, the…
Vapor pressure grows rapidly above the boiling temperature, and past the critical point liquid droplets disintegrate. Our atomistic simulations show that this sequence of events is reversed inside carbon nanotubes (CNT). Droplets…
By means of first-principles calculations coupled with the kinetic Monte Carlo simulations, we have systematically investigated the effects of dilute substitutional solutes on the behaviors of carbon in $\alpha$-Fe. Our results uncover…
Accurate computer simulations of the rotational dynamics of linear molecules solvated in He clusters indicate that the large-size (nano-droplet) regime is attained quickly for light rotors (HCN, CO) and slowly for heavy ones (OCS, N$_2$O,…
The inflow of cosmological gas onto haloes, while challenging to directly observe and quantify, plays a fundamental role in the baryon cycle of galaxies. Using the EAGLE suite of hydrodynamical simulations, we present a thorough exploration…
Nuclear magnetic resonance gyroscopes (NMRGs) employ noble-gas nuclear spins as inertial sensors and alkali-metal atoms as in-situ magnetometers. Heavy noble gases, particularly xenon, are widely used due to their large nuclear spin and…
Protoplanets growing by pebble accretion capture massive hydrogen-helium atmospheres from the surrounding nebula. Pebbles settling through such atmospheres continuously release gravitational potential energy, heating both the atmosphere and…
Constant-pressure constant-temperature {\it ab initio} molecular dynamics simulations at high temperatures have been used to study MgSiO$_3$ liquid, the major constituent of the Earth's lower mantle to conditions of the Earth's core-mantle…
Pluto possesses a thin atmosphere primarily composed of N2, with minor constituents including CO and CH4. Photochemical processes generate distinct haze layers as observed by the New Horizons spacecraft. However, the mechanisms governing…
We report high-sensitivity millimetre observations of several molecular species (13CO, HCN, HNC, CN, HCO+ and N2H+) in a sample of compact planetary nebulae. Some species such as HCO+ and CN are particularly abundant compared to envelopes…
Atmospheric chemistry models have shown molecular oxygen can build up in CO2-dominated atmospheres on potentially habitable exoplanets without an input of life. Existing models typically assume a surface pressure of 1 bar. Here we present…
The recent JWST detections of carbon-bearing molecules in a habitable-zone sub-Neptune have opened a new era in the study of low-mass exoplanets. The sub-Neptune regime spans a wide diversity of planetary interiors and atmospheres not…