53 citations · 319 across the 16 of their papers we have counts for
6 papers · 1 filter
First-principles calculations on finite temperature elastic properties of B2-AlRE (RE=Y, Tb, Pr, Nd, Dy) intermetallics
Rui Wang, Shaofeng Wang, Xiaozhi Wu
We have investigated the finite temperature elastic properties of AlRE (RE=Y, Tb, Pr, Nd, Dy) with B2-type structures from first principles. The phonon free energy and thermal expa…
First-principles calculations of phonon and thermodynamic properties of AlRE (RE= Y, Gd, Pr, Yb) intermetallic compounds
Rui Wang, Shaofeng Wang, Xiaozhi Wu
The phonon and thermodynamic properties of rare-earth-aluminum intermetallics AlRE (RE=Y, Gd, Pr, Yb) with B2-type structure are investigated by performing density functional theor…
The temperature-dependent elastic properties of B2-MgRE intermetallic compounds from first principles
Rui Wang, Shaofeng Wang, Yin Yao
Using the density functional theory (DFT) formulated within the framework of the plane-wave basis projector augmented wave (PAW) method, the temperature-dependent elastic propertie…
Ab initio study of the thermodynamic properties of rare-earthmagnesium intermetallics MgRE (RE=Y, Dy, Pr, Tb)
Rui Wang, Shaofeng Wang, Xiaozhi Wu
We have performed an ab initio study of the thermodynamical properties of rare-earth-magnesium intermetallic compounds MgRE (RE=Y, Dy, Pr, Tb) with CsCl-type B2-type structures. Th…
The third-order elastic moduli and pressure derivatives for AlRE (RE=Y, Pr, Nd, Tb, Dy, Ce) intermetallics with B2-structure: A first-principles study
Rui Wang, Shaofeng Wang, Xiaozhi Wu
The third-order elastic moduli and pressure derivatives of the second-order elastic constants of novel B2-type AlRE (RE=Y, Pr, Nd, Tb, Dy, Ce) intermetallics are presented from fir…
Edge dislocation core structures in FCC metals determined from ab initio calculations combined with the improved Peierls-Nabarro equation
Rui Wang, Shaofeng Wang, Xiaozhi Wu
We have employed the improved Peierls-Nabarro (P-N) equation to study the properties of 1/2<110> edge dislocation in {111} plane in FCC metals Al, Cu, Ir, Pd, and Pt. The generaliz…