Related papers: Ab Initio Simulations of Hot, Dense Methane During…
We show the initial results of our 3D MHD simulations of the flow of the Galactic atmosphere as it responds to a spiral perturbation in the potential. In our standard case, as the gas approaches the arm, there is a downward converging flow…
Physicochemical properties of solid methane exposed to ionizing radiation have attracted significant interest in recent years. Here we present new trends in the study of radiation effects in solid methane. We particularly focus on…
A multiphysics modeling approach for heat conduction in metal hydride powders is presented, including particle shape distribution, size distribution, granular packing structure, and effective thermal conductivity. A statistical geometric…
Hot methane is found in many "cool" sub-stellar astronomical sources including brown dwarfs and exoplanets, as well as in combustion environments on Earth. We report on the first high-resolution laboratory absorption spectra of hot methane…
I model the multi-phase interstellar medium (ISM) randomly heated and shocked by supernovae, with gravity, differential rotation and other parameters we understand to be typical of the solar neighbourhood. The simulations are 3D extending…
Methanol is the most complex molecule securely identified in interstellar ices and is a key chemical species for understanding chemical complexity in astrophysical environments. Important aspects of the methanol ice photochemistry are still…
Recently, an extremely high superconducting temperature (Tc) of ~200 K has been reported in the sulfur hydride system above 100 GPa. This result is supported by theoretical predictions and verified experimentally. The crystal structure of…
The prediction of superconductivity above 200 K in CaH$_6$ revolutionized research on hydrogen-rich superconductors, and subsequent experiments have verified this prediction, while unidentified peaks in XRD and the decrease in…
Molecular process of crystallization from an oriented amorphous state was reproduced by molecular dynamics simulation for a realistic polyethylene model. Initial oriented amorphous state was obtained by uniaxial drawing an isotropic glassy…
Many sub-Neptune exoplanets have been believed to be composed of a thick hydrogen-dominated atmosphere and a high-temperature heavier-element-dominant core. From an assumption that there is no chemical reaction between hydrogen and…
In order to better understand the chemistry involved during the combustion of components of diesel fuel, the structure of a laminar lean premixed methane flame doped with indane has been investigated. The gases of this flame contains 7.1%…
Shock tubes are widely used in the study of chemical kinetics. Its benefits rely on the almost ideal shock-heating process that provides high temperatures and pressures to a chemical system for a limited test time. Just like any reactor,…
Constructing an accurate atomistic model for the high-pressure phases of tin (Sn) is challenging because properties of Sn are sensitive to pressures. We develop machine-learning-based deep potentials for Sn with pressures ranging from 0 to…
The fraction of heavy vector mesons produced in a heavy ion collision, as compared to a proton proton collision, serves as an important indication of the formation of a thermal medium, the quark gluon plasma. This sort of analysis strongly…
We perform a large scale study of conventional superconducting materials using a machine-learning accelerated high-throughput workflow. We start by creating a comprehensive dataset of around 7000 electron-phonon calculations performed with…
A vast amount of Raman spectroscopic data, obtained using diamond anvil cell technique under in situ high pressure-temperature conditions, has been used for mapping the phase transitions of hydrogen in the temperature range of 300 K to 900…
Studies of the effect of high pressure on superconductivity began in 1925 with the seminal work of Sizoo and Onnes on Sn to 0.03 GPa and have continued up to the present day to pressures in the 200 - 300 GPa range. Such enormous pressures…
The dependence of the proton-to-electron mass ratio, mu, on the local matter density was investigated using methanol emission in the dense dark cloud core L1498. Towards two different positions in L1498, five methanol transitions were…
Motivated by an experimental finding on the density of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric…
Shock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two…