相关论文: The Structure of Molten FLiNaK
We report here a molecular dynamics simulation study on water and aqueous LiCl solutions confined in 1.6 nm cylindrical pores of silica to investigate a dynamical cross-over, observed earlier experimentally, wherein LiCl slows down confined…
We explore the possibilities for measuring the quark content of the proton and neutron using neutrino beams produced at a muon storage ring. Because of the nature of the beams, small nuclear targets such as hydrogen and deuterium can be…
We systematically study a set of strongly polar heteronuclear diatomic molecules composed of laser-coolable atoms for their suitability as sensitive probes of new charge-parity violation in the hadron sector of matter. Using relativistic…
We investigate the structure of the [bmim][Tf2N]/silica interface by simulating the indentation of a thin (4 nm) [bmim][Tf2N] film by a hard nanometric tip. The ionic liquid/silica interface is represented in atomistic detail, while the tip…
We show that classical molecular density functional theory (MDFT), here in the homogeneous reference fluid approximation in which the functional is inferred from the properties of the bulk solvent, is a powerful new tool to study, at a…
The dynamics of a physical gel, namely the Low Molecular Mass Organic Gelator {\textit Methyl-4,6-O-benzylidene-$\alpha$ -D-mannopyranoside ($\alpha$-manno)} in water and toluene are probed by neutron scattering. Using high gelator…
We present the results of two-temperature magnetohydrodynamic simulations of the propagation of sub-relativistic jets of active galactic nuclei. The dependence of the electron and ion temperature distributions on the fraction of electron…
We use molecular dynamics computer simulations to study the relaxation dynamics of Na2O-2(SiO2) in its molten, highly viscous state. We find that at low temperatures the incoherent intermediate scattering function for Na relaxes about 100…
The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate…
We investigate how anisotropic molecular rotation and internal molecular flexibility influence liquid dynamics in 1-phenylalkanes. To this end, we combine depolarized dynamic light scattering, nuclear magnetic resonance spectroscopy and…
The nucleus of uranium-235 ($^{235}$U) possesses an exceptionally low-energy isomeric state, $^{235m}$U. Unlike most radioactive nuclides, whose nuclear-decay half-lives are constant, the half-life of $^{235m}$U varies with its chemical…
The recent discovery of the spin supersolid candidate Na$_2$BaCo(PO$_4$)$_2$ stimulates numerous research interest on the triangular-lattice transition-metal phosphates. Here we report a comprehensive study on the structural, magnetic and…
Solvation in 1-ethyl-3-methylmidazolium chloride and in 1-ethyl-3-methylimidazolium hexafluorophosphate near equilibrium is investigated via molecular dynamics computer simulations with diatomic and benzenelike molecules employed as probe…
Under optical cooling of nuclei, a strongly correlated nuclear-spin polaron state can form in semiconductor nanostructures with localized charge carriers due to the strong hyperfine interaction of the localized electron spin with the…
We discuss the studies on structure functions at the possible future RCNP facility. At this stage, an electron-proton or proton-proton collider with sqrt{s}=5 - 10 GeV is considered. We explain large-x physics, nuclear modification of…
The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation. Thanks to the use of maximally localized Wannier orbitals to represent the…
Structure of cold dense matter at subnuclear densities is investigated by quantum molecular dynamics (QMD) simulations. We succeeded in showing that the phases with slab-like and rod-like nuclei etc. can be formed dynamically from hot…
The association of ions in electrolyte solutions at very low concentration and low temperature is studied using computer simulations and quasi-chemical ion-pairing theory. The specific case of the restricted primitive model (charged hard…
Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far from satisfactory. To address this deficiency, we investigate…
We characterized the structural and dynamical properties of the quasi-liquid layer (QLL) at the surface of ice by molecular dynamics simulations with a thermodynamically consistent water model. Our simulations show that for three low-index…