The kinetics of hydrogen absorption by magnesium bulk is affected by two main activated
processes: the dissociation of the H2 molecule and the diffusion of atomic H into the bulk. In …

Diboride‐based ultra‐high temperature ceramics (UHTCs) are a special class of ceramics
with excellent comprehensive properties, which have extensive potential applications in …

Lattice dynamics of body-centered cubic (bcc) V b-VI b group transition metals (TM), and B 1-
type monocarbides and mononitrides of III b-VI b transition metals are studied by means of …

The performance of metal–organic frameworks (MOFs) under mechanical stress is an
important consideration in the design, synthesis, and application of MOF materials in both …

The accurate prediction of solid-solid structural phase transitions at finite temperature is a
challenging task, since the dynamics is so slow that direct simulations of the phase …

The pressure-driven collapse in the structure of network-forming materials will be
considered in the gigapascal (GPa) regime, where the development of in situ high-pressure …

The elasticity, dynamic properties, and superconductivity of α⁠, ω⁠, and β Zr upon
compression are investigated by using first-principles methods. Our calculated elastic …

Compressed hydrogen-rich compounds have received extensive attention as appealing
contenders for superconductors. Here, we found several stable hydrides YZrH6, YZrH8 …

Transition metals Ti, Zr, and Hf have a hexagonal close-packed structure (α) at ambient
conditions, but undergo phase transformations with increasing temperature and pressure. Of …

The phase diagram of zirconium metal has been studied using synchrotron X-ray diffraction
and time-of-flight neutron scattering at temperatures and pressures up to 1273K and 17GPa …