相关论文: Pressure induced structural and dynamical changes …

We have measured the lattice volume of ice VIII in different pressure-temperature pathways and found isothermal compression at low-temperature conditions makes the volume larger. Ice VIII has become its high-pressure phase with the molar…

Pressure induced superconductivity in non-centrosymmetric CeRhSi$_{3}$ and CeIrSi$_{3}$ compounds has attracted significant attention of the scientific community since its discovery 15 years ago. Up-to-date, all reported experimental…

In the framework of topological constraint theory, network glasses are classified as flexible, stressed--rigid, or isostatic if the number of atomic constraints is smaller, larger, or equal to the number of atomic degrees of freedom. Here,…

High-resolution, inelastic x-ray scattering measurements of the dynamic structure factor S(Q,\omega) of liquid water have been performed for wave vectors Q between 4 and 30 nm^-1 in distinctly different thermodynamic conditions (T= 263 -…

We use in-situ high pressure angle dispersive x-ray diffraction measurements to determine the equation of state of cubic tin nitride Sn3N4 under pressure up to about 26 GPa. While we find no evidence for any structural phase transition, our…

The newly discovered BiS$_2$-based LaO$_{1-x}$F$_{x}$BiS$_2$ ($x$=0.5) becomes superconductive at $T_c$=2.5 K. Electrical resistivity and magnetization measurements are performed under pressure to determine the pressure dependence of the…

This paper presents an $ab$ $initio$ study of hydrogen dynamics inside nanometer-size voids in $a$-Si within the framework of the density-functional theory for a varying hydrogen load of 10 to 30 H atoms/void at the low and high temperature…

On the basis of the pseudopotential plane-wave(PP-PW) method and the local-density-functional theory(LDFT), this paper studies energetics, stress-strain relation, stability and ideal strength of $\beta $-SiC under various loading modes,…

We present an ab-initio study of the phase transition cd->beta-tin in Si and Ge under hydrostatic and non-hydrostatic pressure. For this purpose we have developed a new method to calculate the influence of non-hydrostatic pressure…

Our investigations on porous Si show that on increase of pressure it undergoes crystalline phase transitions instead of pressure induced amorphization - claimed earlier, and the amorphous phase appears only on release of pressure. This…

We report the combined results of molecular dynamics simulations and theoretical calculations concerning various dynamical arrest transitions in a model system representing a dipolar fluid, namely, N (softcore) rigid spheres interacting…

We theoretically investigate the temperature dependence of the reversible structural relaxation time and diffusion constant of metallic glasses under pressure. The compression not only changes the glassy dynamics, but also generates a…

In addition to its promising potential for applications, GaV4S8 shows very interesting physical properties with temperature and magnetic field. These properties can be tuned by applying hydrostatic pressure in order to reveal and understand…

We study the electronic properties of a LaEu0.20Sr0.15CuO4 single crystal under hydrostatic pressure up to 2.9 GPa. Both the freezing of the Cu 3d moments and the structural transition from the orthorhombic (LTO) to the tetragonal (LTT)…

While amorphous materials are often approximated to have a statistically homogeneous atomic structure, they frequently exhibit localized structural heterogeneity that challenges simplified models. This study uses 4D scanning transmission…

Experimental studies established that calcium undergoes several counterintuitive transitions under pressure: fcc \rightarrow bcc \rightarrow simple cubic \rightarrow Ca-IV \rightarrow Ca-V, and becomes a good superconductor in the simple…

We present a study of the high-pressure behaviour Bi14WO24, a high oxide ion conductor member of the Bi2O3-WO3 binary system. The tetragonal polymorph of Bi14WO24 was studied under high-pressure conditions using synchrotron powder X-ray…

We performed resistivity measurements in CuRh$_{2}$S$_{4}$ under quasi-hydrostatic pressure of up to 8.0 GPa, and found a pressure induced superconductor-insulator (SI) transition. Initially, with increasing pressure, the superconducting…

We study theoretically the hydrodynamics of a fluid drop containing oriented filaments endowed with active contractile or extensile stresses and placed on a solid surface. The active stresses alter qualitatively the wetting properties of…

We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…