Alloying effects and site occupancies of Re in the C14 Cr-based Laves phases: a first-principles study

A DFT study of hydrogen storage in Zr(Cr 0.5 Ni 0.5 ) 2 Laves phase

(2016) A. Robina Merlino et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First-principles study of point defects in C14 MgZn2 Laves phase

(2016) Lin Shao et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The thermal stability of topologically close-packed phases in the single-crystal Ni-base superalloy ERBO/1

(2015) I. Lopez-Galilea et al.   JOURNAL OF MATERIALS SCIENCE

Phase stability in the ternary Re–W–Zr system

(2014) Jean-Marc Joubert et al.   ACTA MATERIALIA

First-principles calculations for point defects in solids

(2014) Christoph Freysoldt et al.   REVIEWS OF MODERN PHYSICS

Mechanical properties and electronic structures of MgCu2, Mg2Ca and MgZn2 Laves phases by first principles calculations

(2014) Ping-li MAO et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

CALPHAD description of the Mo–Re system focused on the sigma phase modeling

(2013) R. Mathieu et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re–X systems (X=Ta, V, W)

(2013) Mauro Palumbo et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf

(2013) Wen-Cheng Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

Comparison of the Site Occupancies Determined by Combined Rietveld Refinement and Density Functional Theory Calculations: Example of the Ternary Mo–Ni–Re σ Phase

(2012) Khurram Yaqoob et al.   INORGANIC CHEMISTRY

Intergrowth of P phase with µ phase in a Ru-containing single-crystal Ni-based superalloy

(2012) X.P. Tan et al.   PHILOSOPHICAL MAGAZINE LETTERS

Reasons for the enhanced phase stability of Ru-containing nickel-based superalloys

(2011) A. Heckl et al.   ACTA MATERIALIA

TCP phase predictions in Ni-based superalloys: Structure maps revisited

(2010) B. Seiser et al.   ACTA MATERIALIA

Strengthening of γ-TiAl-Nb by short-range ordering of point defects

(2010) Yu-Juan Li et al.   INTERMETALLICS

Wetting and interactions of Ni- and Co-based superalloys with different ceramic materials

(2009) F. Valenza et al.   JOURNAL OF MATERIALS SCIENCE

First principles calculations of the σ and χ phases in the Mo–Re and W–Re systems

(2009) J-C Crivello et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiostudy of hyperfine interaction parameters inC14Hf and Zr Laves-phase compounds

(2009) Jelena Belošević-Čavor et al.   PHYSICAL REVIEW B

First-principles study of two- and one-dimensional honeycomb structures of boron nitride

(2009) M. Topsakal et al.   PHYSICAL REVIEW B

Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results

(2008) J. Pavlů et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY