相关论文: Hydrogen Diffusion and Stabilization in Single-cry…
Ab initio random structure searching with density functional theory was used to determine the zero-temperature structures of atomic metallic hydrogen from 500 GPa to 5 TPa. Including zero point motion in the harmonic approximation, we…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
Liquid atomic metallic hydrogen is the simplest, lightest, and most abundant of all liquid metals. The role of nucleon motions or ion dynamics has been somewhat ignored in relation to the dissociative insulator-metal transition. Almost all…
It is well known that water inside hydrophobic nano-channels diffuses faster than bulk water. Recent theoretical studies have shown that this enhancement depends on the size of the hydrophobic nanochannels. However, experimental evidence of…
Recent reports reveal that isothermal chemical doping of hydrogen in correlated complex oxides such as perovskite nickelates (e.g. NdNiO3) can induce a metal-to-insulator transition (MIT) without the need for temperature modulation. In this…
We perform laser spectroscopy at liquid helium temperatures (T=2 K) to investigate single dibenzoterrylene (DBT) molecules doped in anthracene crystals of nanoscopic height fabricated by electrohydrodynamic dripping. Using high-resolution…
We report the first observation of a striking history dependence of the structure function of the vortex matter in the peak effect regime in a Nb single crystal by using small angle neutron scattering combined with {\it in situ} magnetic…
Molecular hydrogen was pressurized in a diamond anvil cell at temperatures between 5 and 83 K. At a sufficiently high pressure, estimated to be between 477 to 491 GPa, hydrogen became metallic, determined by its reflectance in the near…
We present the results of experimental and theoretical study of the scattering of low energy p$\mu$ atoms in solid hydrogen cooled to 3 K. The resulting emission of low energy p$\mu$ atoms from the hydrogen layer into the adjacent vacuum…
Synchrotron X-ray total scattering studies of structural changes in rutile VO2 at the metal-insulator transition temperature of 340 K reveal that monoclinic and tetragonal phases of VO2 coexist in equilibrium, as expected for a first-order…
The occurrence and development of phase inhomogeneity in {\rm Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$} single crystals have been investigated by measuring their superconducting transition patterns using a high-sensitivity ac magnetometer. We find…
We present a path-integral Monte Carlo study of dissociation in dense hydrogen ($1.75 \leq r_s \leq 2.2$, with $r_s$ the Wigner sphere radius). As temperature is lowered from $10^5$ to 5000 K, a molecular hydrogen gas forms spontaneously…
We present incoherent quasi-elastic neutron scattering measurements in a wavevector transfer range from 0.4 AA^{-1} to 1.6AA^{-1} on liquid n-hexane confined in cylindrical, parallel-aligned nanochannels of 6 nm mean diameter and 260…
First-order phase transitions in solids are notoriously challenging to study. The combination of change in unit cell shape, long range of elastic distortion, and flow of latent heat leads to large energy barriers resulting in domain…
The vortex liquid-to-glass transition has been studied in Ba0.72K0.28Fe2As2, Ba0.9Co0.1Fe2As2, and Ba(Fe0.45Ni0.05)2As2 single crystal with superconducting transition temperature, Tc = 31.7, 17.3, and 18 K, respectively, by…
We perform molecular dynamics simulations driven by accurate Quantum Monte Carlo forces on dense liquid hydrogen. Recently it has been reported a complete atomization transition between a mixed-atomic liquid and a completely dissociated…
Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcontinuum transport following an ordered 1D structure…
We study, by Monte Carlo simulations, a coarse-grained model of a water monolayer between hydrophobic walls at partial hydration, with a wall-to-wall distance of about 0.5 nm. We analyze how the diffusion constant parallel to the walls,…
Electron transport properties in compacted VO2 nanopowders were studied. While VO2 usually exhibits a first-order metal-insulator transition (MIT) at ~340K, in our compressed nanopowder samples the MIT was significantly broadened due to…
Amorphous vanadium dioxide (VO$_{2}$) films deposited by atomic layer deposition (ALD) were crystallized with an ex situ anneal at 660-670 ${\deg}$C for 1-2 hours under a low oxygen pressure (10$^{-4}$ to 10$^{-5}$ Torr). Under these…