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Vapour-liquid equilibria (VLE) and the influence of an inert carrier gas on homogeneous vapour to liquid nucleation are investigated by molecular simulation for quaternary mixtures of carbon dioxide, nitrogen, oxygen, and argon. Canonical…
Stellar and AGN-driven feedback processes affect the distribution of gas on a wide range of scales, from within galaxies well into the intergalactic medium. Yet, it remains unclear how feedback, through its connection to key galaxy…
We present a molecular dynamics study of the influence of knot complexity and molecular mass on glass formation upon cooling in knotted ring polymer melts. We find that cooperative motion, rigidity, and glassy dynamics can be tuned over a…
Liquid crystalline (LC) mixtures of cholesteryl oleyl carbonate (COC) and 4-pentyl-4'-cyanobiphenyl (5CB), as well as dispersions of single-walled carbon nanotubes (NTs) in these mixtures, were studied by means of selective reflection…
Sub-Neptunes with substantial atmospheres may possess magma oceans in contact with the overlying gas, with chemical interactions between the atmosphere and magma playing an important role in shaping atmospheric composition. Early JWST…
We study the thermal structure of the neutral atomic (H {\small I}) interstellar medium across a wide range of metallicities, from supersolar down to vanishing metallicity, and for varying UV intensities and cosmic-ray ionization rates. We…
The immiscibility of hydrogen-helium mixture under the temperature and pressure conditions of planetary interiors is crucial for understanding the structures of gas giant planets (e.g., Jupiter and Saturn). While the experimental probe at…
The habitable zone concept is important because it focuses the scientific search for extraterrestrial life and aids the planning of future telescopes. Recent work has shown that planets near the outer edge of the habitable zone might not…
In order to investigate the possible influence of rotation on the efficiency of the first dredge-up we determined atmospheric parameters, masses, and abundances of carbon, nitrogen, and oxygen in a sample of evolved intermediate mass stars.…
Cooling is the main process leading to the condensation of gas in the dark matter potential wells and consequently to star and structure formation. In a metal-free environment, the main available coolants are H, He, H$_2$ and HD; once the…
The thermodynamic behavior of calcium oxide (\ce{CaO}) under high temperature and pressure conditions is critical for understanding the physics of planetary interiors. This study employs molecular dynamics (MD) simulations, including both…
Grand Canonical Monte Carlo (GCMC) simulations are performed to study hydrogen physisorption in different nano carbon porous materials made up of different substructures including carbon nanotubes (CNT), graphene sheets and C60. Hydrogen…
Radiative turbulent mixing layers should be ubiquitous in multi-phase gas with shear flow. They are a potentially attractive explanation for the high ions such as OVI seen in high velocity clouds and the circumgalactic medium (CGM) of…
We explore the melting of a lattice DNA in the presence of atmospheric disorder, which mimics the crowded environment inside the cell nucleus, using Monte Carlo simulations. The disorder is modeled by randomly retaining lattice sites with…
In this work, the cryoscopic decrease effect, as a function of the NaCl concentration, on the carbon dioxide (CO$_2$) hydrate dissociation line conditions has been determined through molecular dynamic simulations. In particular, we have…
We use computational screening to systematically investigate the use of transition metal doped carbon nanotubes for chemical gas sensing. For a set of relevant target molecules (CO, NH3, H2S) and the main components of air (N2, O2, H2O), we…
A major motivation of spectroscopic observations of giant exoplanets is to unveil planet formation processes from atmospheric compositions. Several recent studies suggested that atmospheric nitrogen, like carbon and oxygen, can provide…
The properties of matter are significantly modified by strong magnetic fields, $B>>2.35\times 10^9$ Gauss ($1 G =10^{-4} Tesla$), as are typically found on the surfaces of neutron stars. In such strong magnetic fields, the Coulomb force on…
We show using molecular dynamics simulation that spatial confinement of water inside carbon nanotubes (CNT) substantially increases its boiling temperature and that a small temperature growth above the boiling point dramatically raises the…
The long-term temperature response to a given change in CO2 forcing, or Earth-system sensitivity (ESS), is a key parameter quantifying our understanding about the relationship between changes in Earth's radiative forcing and the resulting…