Related papers: Energy transfer and restructuring in amorphous sol…
Ionic liquids (ILs) gain much interest as possible electrolytes in the next generation of mixed-solid Li-ion batteries. However, such properties of ionic liquids as melting transition, diffusion, strength and structure of hydrogen bond…
The diffusion of water molecules through mesoporous dust of amorphous carbon (a-C) is a key process in the evolution of prestellar, protostellar, and protoplanetary dust, as well as in that of comets. It also plays a role in the formation…
Interdiffusion phenomena between adjacent materials are highly prevalent in semiconductor device architectures and can present a major reliability challenge for the industry. To fully capture and better understand these phenomena,…
The mechanisms of phase change of argon during picosecond laser internal ablation are studied using molecular dynamics simulations. It is found that propagation of stress wave and fluctuation of temperature are periodical. The phase change…
Water ice is abundant both astrophysically, for example in molecular clouds, and in planetary systems. The Kuiper belt objects, many satellites of the outer solar system, the nuclei of comets and some planetary rings are all known to be…
Recent advances in laser technology have enabled tremendous progress in photochemistry, at the heart of which is the breaking and formation of chemical bonds. Such progress has been greatly facilitated by the development of accurate…
The $\alpha$ polymorph of V$_2$O$_5$ is one of the few known cathodes capable of reversibly intercalating multivalent ions such as Mg, Ca, Zn and Al, but suffers from sluggish diffusion kinetics. The role of H$_2$O within the electrolyte…
Bose-Fermi mixtures naturally appear in various physical systems. In semiconductor heterostructures, such mixtures can be realized, with bosons as excitons and fermions as dopant charges. However, the complexity of these hybrid systems…
Water (H$_{2}$O), in all forms, is an important constituent in planetary bodies, controlling habitability and influencing geological activity. Under conditions found in the interior of many planets, as the pressure increases, the H-bonds in…
Electrons mediate many of the interactions between atoms in a solid. Their propagation in a material determines its thermal, electrical, optical, magnetic and transport properties. Therefore, the constant energy contours characterizing the…
A coupled system composed of a Newtonian fluid located on a sinusoidally-forced elastic solid is studied analytically and numerically. The focus is on the transient evolution from the beginning of the forced oscillations and on the periodic…
Atomically thin layered van der Waals heterostructures feature exotic and emergent optoelectronic properties. With growing interest in these novel quantum materials, the microscopic understanding of fundamental interfacial coupling…
Thermal atomic vibrations in amorphous solids can be distinguished by whether they propagate as elastic waves or do not propagate due to lack of atomic periodicity. In a-Si, prior works concluded that non-propagating waves are the dominant…
It has recently been shown that the TIP4P/Ice model of water can be studied numerically in metastable equilibrium at and below its liquid-liquid critical temperature. We report here simulations along a subcritical isotherm, for which two…
In amorphous solids, a non-negligible part of thermal conductivity results from phonon scattering on the structural disorder. The conversion of acoustic energy into thermal energy is often measured by the Dynamical Structure Factor (DSF)…
Strongly bound excitons confined in two-dimensional (2D) semiconductors are dipoles with a perfect in-plane orientation. In a vertical stack of semiconducting 2D crystals, such in-plane excitonic dipoles are expected to efficiently couple…
Molecular-scale dynamics in sub- to super-critical water is studied with inelastic X-ray scattering and molecular dynamics simulations. The obtained longitudinal current correlation spectra can be decomposed into two main components: a…
Laboratory experimental results are presented for nonlinear Internal Solitary Waves (ISW) propagation in deep water configuration with miscible fluids. The results are validated against direct numerical simulations and traveling wave exact…
We demonstrate the existence of an anomalous structure in the data on the diffractive elastic scattering of hadrons at high energies and small momentum transfer. We analyze five sets of experimental data on $p(\overline{p})-p $ scattering…
Using all-atomic molecular dynamics(MD) simulations, we show that various substrates could induce interfacial water (IW) to form the same ice-like oxygen lattice but different hydrogen polarity order, and regulate the heterogeneous ice…