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Ionic liquids have been suggested as new engineering fluids, namely in the area of heat transfer, as alternatives to current biphenyl and diphenyl oxide, alkylated aromatics and dimethyl polysiloxane oils, which degrade above 200 {\deg}C…
We use {\it ab initio} molecular dynamics simulations to study a sample of liquid silica containing 3.84 wt.% H$_2$O.We find that, for temperatures of 3000 K and 3500 K,water is almost exclusively dissolved as hydroxyl groups, the silica…
A broad fundamental understanding of the mechanisms underlying the phenomenology of supercooled liquids has remained elusive, despite decades of intense exploration. When supercooled beneath its characteristic melting temperature, a liquid…
Low-temperature (below 60K) phase changes of free clusters containing 50, 137, and 229 methane molecules have been observed in isoenergetic Molecular Dynamics computations. Bulk solid methane exhibits structural phase transformation at 20.4…
Thermal fusion plasmas initiated by standing whistler waves are investigated numerically by two- and one-dimensional Particle-in-Cell simulations. When a standing whistler wave collapses due to the wave breaking of ion plasma waves, the…
Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and open up the doors in searching new…
We model gas cooling in high-resolution N-body simulations in order to investigate the formation of the first generation of stars. We follow a region of a LCDM universe especially selected to contain a rich cluster by the present day. The…
The insulator-to-metal transition in dense fluid hydrogen is an essential phenomenon to understand gas giant planetary interiors and the physical and chemical behavior of highly compressed condensed matter. Using fast laser spectroscopy…
Recent calculations by Vorobev and Malyshenko (JETP Letters, 71, 39, 2000) show that molecular hydrogen may stay liquid and superfluid in strong electric fields of the order of $4\times 10^7 V/cm$. I demonstrate that strong local electric…
We investigate the three-phase coexistence line of ethane (C$_2$H$_6$) hydrate through molecular dynamics simulations using the direct coexistence approach. In this framework, C$_2$H$_6$ sI hydrate, aqueous, and pure guest phases are…
I have investigated the structural and dynamic properties of water by performing a series of molecular dynamic simulations in the range of temperatures from 213 K to 360 K, using the Simple Point Charge-Extended (SPC/E) model. I performed…
We present the results from three dimensional hydrodynamical simulations of decaying high-speed turbulence in dense molecular clouds. We compare our results, which include a detailed cooling function, molecular hydrogen chemistry and a…
We study the formation of H2 in the ISM, using a modified version of the astrophysical magnetohydrodynamical code ZEUS-MP that includes a non-equilibrium treatment of the formation and destruction of H2. We examine two different…
In this work, we have focused on microsolvation of isopropyl cyanide (i-PrCN) as isopropyl cyanide has been recently detected in interstellar space and is of great importance from the astrochemical and bio-chemical point of view for its…
Specific heat measurements from 2 to 300 K of hydrogenated amorphous silicon prepared by hot-wire chemical vapor deposition show a large excess specific heat at low temperature, significantly larger than the Debye specific heat calculated…
Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The…
We have performed high-pressure, electrical resistivity, and specific heat measurements on CeTe3 single crystals. Two magnetic phases with nonparallel magnetic easy axes were detected in electrical resistivity and specific heat at low…
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is…
Methylated polycyclic aromatic hydrocarbons (PAHs) have been hypothesised to be present in the interstellar medium (ISM) through their 3.4 and 6.9 $\mu$m absorption bands. To investigate the hydrogenation of these methylated PAHs, the…
A molecular dynamics simulation of sublimation of silicene and silicon films of different thikness is performed. It is shown that thiner films sublimate at lower temperatures. The sublimation temperature comes to a saturated value of…