The phase diagram of magnesium has been investigated to 211 GPa at 300 K, and to 105
GPa at 4500 K, by using a combination of x-ray diffraction and resistive and laser heating …

An effective and reliable Finnis–Sinclair (FS) type potential is developed for large-scale
molecular dynamics (MD) simulations of plasticity and phase transition of magnesium (Mg) …

Based on ab initio molecular dynamics simulations, we determined the melting curve of
magnesium (Mg) up to∼ 460 GPa using the solid–liquid coexistence method. Between∼ 30 …

We report on nanosecond resolution lattice measurements of shock-compressed Mg in the
hcp and bcc phases between 12 and 45 GPa. X-ray diffraction signals consistent with a …

In this work, we investigate the formation/decomposition boundaries in the P–T phase
diagram of the magnesium hydrides. The formation/decomposition boundaries are obtained …

Applying proven realistic Ni–Hf and Ni–Ti potentials, molecular dynamics simulations are
performed on the Ni–Hf and Ni–Ti solid solution models, respectively. Simulations reveal …

ABSTRACT A combination of ball milling experiments and ab initio calculations in this study
successfully yielded results that shed light into understanding the fundamental basis for …

After a successful application of a local first principles pseudopotential to the study of the
structural pressure-induced phase transition for magnesium, I now use the same local first …