The pressure-induced insulator-metal transition in amorphous GeSe2 (a-GeSe2) is studied using an ab initio constant pressure molecular-dynamic simulation. a-GeSe2 transforms gradually to an amorphous metallic state under the application of pressure. The transition is reversible, and is associated with a gradual change from fourfold to sixfold Ge coordination, and from twofold to fourfold Se coo...

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Many drugs exist in crystalline solid form due to reasons of stability and ease of handling during the various stages of drug development. Crystalline solids can exist in the form of polymorphs, solvates or hydrates. Phase transitions such as polymorph inter-conversion, formation of hydrates, desolvation of solvates, and conversion of the crystalline to amorphous form may occur during various p...

Amorphous water plays a fundamental role in astrophysics, cryoelectron microscopy, hydration of matter, and our understanding of anomalous liquid water properties. Yet, the characteristics of the relaxation processes taking place in high-density amorphous ice (HDA) are unknown. We here reveal that the relaxation processes in HDA at 110-135 K at 0.1-0.2 GPa are of collective and global nature, r...

We present two-dimensional (2D) infrared (IR) spectra of isotope diluted ice in its low density amorphous form. Amorphous ice, which is structurally more similar to liquid water than to crystalline ice, provides higher resolution spectra of the hydrogen bond potentials because all motion is frozen. In the case of OD vibration of HOD in H2O, diagonal and off-diagonal (intermode) anharmonicity as...

Phase change materials combine a pronounced contrast in resistivity and reflectivity between their disordered amorphous and ordered crystalline state with very fast crystallization kinetics. Typical phase-change alloys are composed out of the elements germanium, antimony and tellurium. Due to the exceptional combination of properties phase-change materials find already broad application in non-...

A GLASS is, formally, a solid that solidifies without a well-defined melting point— defined as a singular temperature at which there occurs a discontinuous change in a physical property, for example specific volume, during transition between a liquid state and its corresponding solid state—but instead exhibits a continuous change in that property over a range of temperature. Glasses tend to inh...