相关论文: On hydrogen bond correlations at high pressures

Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or atomic form - tetrahydrides of Ba,Sr,Ra, Cs and La;…

A relation between shear and dielectric spectra is derived for highly viscous liquids with a small rotational contribution $\Delta\epsilon$ to the dielectric constant. It is valid if the shear fluctuations and the electric dipole…

Recently a new approach to the determination of dynamic correlation lengths, {\xi}, for supercooled liquids, based on the properties of the slow (picosecond) vibrational dynamics, was carried out [L. Hong, V.N. Novikov, and A.P. Sokolov,…

The effect of Sr chemical pressure on superconductivity was investigated in Hg2(Ba1-ySry)2YCu2O8-d. The samples were synthesized at high pressure-high temperature from y = 0.0 to full substitution, y = 1.0. These Sr-substituted compounds…

Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the…

In order to probe electron wave functions involved in the bonding of NH$_4$F, we have performed Compton scattering experiments in an oriented single crystal and in a powder. Ab initio calculations of the Compton profiles for NH$_4$F and…

Reaching superconductivity at ambient conditions is one of the biggest scientific dreams. The discoveries in the last few years at high pressures place hydrogen-based compounds as the best candidates for making it true. As the recent…

X.-D. Liu et al. [Phys. Rev. Lett. 119, 065301 (2017)] report on the existence of a new unique solid phase of D2, which makes the high-pressure low-temperature behavior distinct from H2. Here, based on the analysis of their Raman data and…

We report the results of initial FUSE observations of molecular hydrogen (H2) in translucent clouds. These clouds have greater optical depth than any of the diffuse clouds previously observed for far-UV H2 absorption, and provide new…

Early results from the Herschel Space Observatory revealed the water cation H2O+ to be an abundant ingredient of the interstellar medium. Here we present new observations of the H2O and H2O+ lines at 1113.3 and 1115.2 GHz using the Herschel…

In recent years, metal hydride research has become one of the driving forces of the high-pressure community, as it is believed to hold the key to superconductivity close to ambient temperature. While numerous novel metal hydride compounds…

The influence of pressure on the hydrogen bond ordering in the perovskite metal-organic framework [(CH3)2NH2]Mn(HCOO)3 has been investigated by dielectric, pyroelectric adn magnetic measurements in a piston-cylinder cell. Under ambient…

The major mass fraction of the envelope of hot luminous stars is radiatively stable. However, the partial ionisation of hydrogen, helium and iron gives rise to extended sub-surface convection zones in all of them. In this work, we…

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…

Local stresses and pressures always exist in glasses. In this letter we consider their effects on the structure and structural correlations in simple glasses. We find that extreme values of local pressures are related to well defined local…

Chandra High-Energy Transmission Grating (HETG) X-ray spectra are extracted from 17 bright, narrow regions of Cas A and provide unique measurements of their kinematic and plasma states. From the dominant emission lines, e.g. He-like Si, we…

We report a high-pressure experimental and theoretical investigation of the structural properties of zircon-type HoVO4. Angle-dispersive x-ray diffraction measurements were carried out under quasi-hydrostatic and partial non-hydrostatic…

Compression shortens the O:H nonbond and lengthens the H-O bond simultaneously via O:H-O Coulomb repulsion. The energy loss of the elongated H-O bond lowers the melting point.

2H NMR is used to study the mechanisms for the reorientation of protein hydration water. In the past, crossovers in temperature-dependent correlation times were reported at T_x1=225K (X1) and T_x2=200K (X2). We show that neither X1 nor X2…

We present the first experimental characterization in molecular fragile glassformers of a 'prepeak that appears significantly below the main peak of the static structure factor. The temperature and density dependences of this prepeak are…