相关论文: Dynamic mechanical analysis of supercooled water i…
Introduction of polarizability in classical molecular simulations holds the promise to increase accuracy as well as prediction power to computer modeling. To introduce polarizability in a straight-forward way one strategy is based on Drude…
The dynamics for molecule formation, relaxation, diffusion, and desorption on amorphous solid water is studied in a quantitative fashion. We aim at characterizing, at a quantitative level, the formation probability, stabilization, energy…
The properties of water can have a strong dependence on the confinement. Here, we consider a water monolayer nanoconfined between hydrophobic parallel walls under conditions that prevent its crystallization. We investigate, by simulations…
In various areas of science, technology, environment protection, construction, it is very important to study processes of porous materials interaction with different substances in different aggregation states. From the point of view of…
In-situ NMR spin-lattice relaxation measurements were performed on several vapor deposited ices. The measurements, which span more than 6 orders of magnitude in relaxation times, show a complex spin-lattice relaxation pattern that is…
The interrelation of dynamic processes active on separated time-scales in glasses and viscous liquids is investigated using a model displaying two time-scale bifurcations both between fast and secondary relaxation and between secondary and…
Nanoconfined waters have been extensively studied within various systems, demonstrating low permittivity under static conditions; however, their dynamics have been largely unexplored due to the lack of a robust platform, particularly in the…
In the present study, water is considered as a dynamic network between molecules at distances not exceeding 3.2 angstroms. The instantaneous configurations obtained by using the molecular dynamics method have been sequentially analyzed, the…
The temperature dependence of the structure of water confined in hydrophilic mesostructured porous silica (MCM-41) and hydrophobic benzene-bridged periodic mesoporous organosilicas (PMO) is studied by Raman vibrational spectroscopy. For…
Polyamide 6,6 (PA66) is a key engineering polymer, whose unique mechanical properties arise from strong interchain hydrogen bonding. However, its hygroscopic nature makes it highly sensitive to water uptake, which markedly alters its…
Using a general model for the equilibrium dynamics of supercooled liquids, I compute from molecular properties the emergent length and time scales that govern the nonequilibrium relaxation behavior of amorphous ice prepared by rapid…
Liquid water exhibits anomalous behavior in the supercooled region. A popular hypothesis to explain supercooled water's anomalies is the existence of a metastable liquid-liquid transition terminating at a critical point. The hypothesized…
We have studied by Molecular Dynamics computer simulations the dynamics of water confined in ionic surfactants phases, ranging from well ordered lamellar structures to micelles at low and high water loading, respectively. We have analysed…
We measure the isothermal rejuvenation of stable glass films of poly(styrene) and poly(methylmethacrylate). We demonstrate that the propagation of the front responsible for the transformation to a supercooled-liquid state can serve as a…
Recent experimental results suggest that metallic liquids universally exhibit a high-temperature dynamical crossover, which is correlated with the glass transition temperature ($T_{g}$). We demonstrate, using molecular dynamics results for…
Water is a ubiquitous liquid with unique physico-chemical properties, whose nature has shaped our planet and life as we know it. Water in restricted geometries has different properties than in bulk. Confinement can prevent low-temperature…
Recent experiments on liquid water show collective dipole orientation fluctuations dramatically slower then expected (with relaxation time $>$ 50 ns) [D. P. Shelton, Phys. Rev. B {\bf 72}, 020201(R) (2005)]. Molecular dynamics simulations…
We perform systematic molecular dynamics simulations of water confined between two nanoscale plates at T=300 K. We investigate the effect of pressure (-0.15 GPa <= P <= 0.2 GPa) and plate separation (0.4 nm <= d <= 1.6 nm) on the phase…
In this work we present an extensive study of glassy GeO$_2$ under laser induced dynamic compression. New VISAR and SOP data provide the extension of Hugoniot EoS up to the TPa range for this material including temperature measurements.…
Dielectric permittivity of supercooled volume water has been measured in the range of temperatures from $-20\,^{\circ}$C to $-60\,^{\circ}$C at the frequencies $7.6$~GHz and $9.7$~GHz. The measurements have been made using microwave…