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154 papers · 1 filter
Phase transitions of eutectic high entropy alloy AlCoCrFeNi2.1 under shock compression
Sophie E. Parsons, Kento Katagiri, Hangman Chen +31
High entropy alloys (HEAs) are a new class of metals that exhibit unique mechanical performance. Among HEAs, additively manufactured eutectic high entropy alloys (AM-EHEAs) have re…
Structural evolution of iodine on approach to the monatomic state
Elena Bykova, Iskander G. Batyrev, Maxim Bykov +4
We applied single-crystal X-ray diffraction and Raman spectroscopy in a diamond anvil cell up to 36 GPa and first principles theoretical calculations to study the molecular dissoci…
First-principles thermal equation of state of fcc iridium
Kai Luo, Ruifeng Lu, R. E. Cohen
The thermal equation of states for fcc iridium (Ir) is obtained from first-principles molecular dynamics up to 3000 K and 540 GPa. The equation of state (EoS) is globally fitted to…
Comment on: Evidence and Stability Field of fcc Superionic Water Ice Using Static Compression
Alexander F. Goncharov, Vitali B. Prakapenka
Weck et al. (1) report on the existence and stability fields of two superionic (SI) phases of H2O ice at high P-T (P-T) conditions, which has been a topic of static and dynamic exp…
First-principles Calculations of Raman and Infrared Spectroscopy For Phase Identification and Strain Calibration of Hafnia
Aldo Raeliarijaona, R. E. Cohen
Using density functional perturbation theory (DFPT) we computed the phonon frequencies, Raman and IR activities of hafnia polymorphs (P4nmc, Pca2, Pmn2, Pbca OI,…
Synthesis, structure and electric conductivity of higher hydrides of ytterbium at high pressure
Tomasz Jaronn, Jianjun Ying, Marek Tkacz +4
While most of the rare earth metals readily form trihydrides, due to increased stability of the filled 4f electronic shell for Yb(II), only YbH, formally corresponding to…