相关论文: Microwave heating and collapse of methane hydrate …
The mechanism of rapid and selective heating of magnetic metal oxides under the magnetic field of microwaves which continues beyond the Curie temperature $ T_{c} $ is identified by using the Heisenberg model. Monte Carlo calculations based…
Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
Structure, stability and reactivity of clathrate hydrates with or without hydrogen encapsulation are studied using standard density functional calculations. Conceptual density functional theory based reactivity descriptors and the…
In this study, a radial analytical model for methane hydrate dissociation upon thermal stimulation in porous media considering the effect of wellbore structure has been developed. The analytical approach is based on a similarity solution…
The thermal conductivity of polycrystalline semiconductors with type-I clathrate hydrate crystal structure is reported. Ge clathrates (doped with Sr and/or Eu) exhibit lattice thermal conductivities typical of amorphous materials.…
Hydrocarbons such as methane and ethane are present in many solar system objects, including comets, moons and planets. The interaction of these hydrocarbons with water ice at low temperatures could lead to the formation of inclusion…
Condensation and frost formation degrade the heat transfer performance of air-conditioners and refrigerators. Yet, the frost formation mechanism has not been fully understood. In the present study, we numerically investigated H2O droplets…
We have performed quantum molecular-dynamics simulations for methane under shock compressions up to 80 GPa. We obtain good agreement with available experimental data for the principal Hugoniot, derived from the equation of state. A…
Hydrogen exhibits unusual behaviors at megabar pressures, with consequences for planetary science, condensed matter physics and materials science. Experiments at such extreme conditions are challenging, often resulting in hard-to-interpret…
HD molecules can be an important cooling agent of the primordial gas behind the shock waves originated through mergings of the dark matter haloes at epochs when first luminous objects were to form. We study the necessary conditions for the…
We report the temperature, pressure and composition dependence of some basic properties of model liquid water-methanol mixtures. For this purpose the isobaric-isothermal molecular dynamics computer simulations are employed. Our principal…
The changes of magnetic properties upon heat treatment of a metastable supersaturated solid solution processed by severe plastic deformation are investigated by in-situ AC-hysteresis measurements. Data are analyzed in the framework of…
Aims: The production of saturated organic molecules in hot cores and corinos is not well understood. The standard approach is to assume that, as temperatures heat up during star formation, methanol and other species evaporate from grain…
Specific heat measurements of hydrogenated amorphous silicon prepared by hot-wire chemical vapor deposition show a large density of two-level systems at low temperature. Annealing at 200 {\deg}C, well below the growth temperature, does not…
We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separated by 1.10 nm. We find that the anomalous thermodynamic…
Depending on the temperature, the C70 solid crystallizes in several structures. At high temperature (T > 340K), the ellipsoidal C70 molecule rotates freely in all directions and may be treated as a uniform thick spherical shell with inner…
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…
A structural transformation in water upon compression was recently observed at the temperature $T=277$~K in the vicinity of the pressure $p \approx 2\;000$~Atm [R.M. Khusnutdinoff, A.V. Mokshin, J. Non-Cryst. Solids \textbf{357}, 1677…
Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on X-ray computed tomography, experimental dielectric data,…