Related references
Note: Only part of the references are listed.Relative Performance of Additively Manufactured and Cast Aluminum Alloys
Lisa Brock et al.
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE (2021)
The vacancy defects and oxygen atoms occupation effects on mechanical and electronic properties of Mo5Si3 silicides
Jiaying Chen et al.
COMMUNICATIONS IN THEORETICAL PHYSICS (2021)
First-principles study of the Ti/Al3Ti interfacial properties
Fangzhou Han et al.
APPLIED SURFACE SCIENCE (2021)
Effect of zinc-doping on tensile strength of Σ5 bcc Fe symmetric tilt grain boundary
Wangjun Peng et al.
COMPUTATIONAL MATERIALS SCIENCE (2020)
First-principle calculations on the Al/L12-Al3Zr heterogeneous nucleation interface
Tianxing Yang et al.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2020)
Numerical inverse engineering as a route to determine the dynamic mechanical properties of metallic cellular solids
V.H. Carneiro et al.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2020)
Electronic band gaps corrections using total energy with DFT/LDA-1/2 quasi-particle approximation
M. Ribeiro
COMPUTATIONAL MATERIALS SCIENCE (2019)
Failure mode in first-principles computational tensile tests of grain boundaries: effects of a bulk-region size, dominant factors, and local-energy and local-stress analysis
Hao Wang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2019)
A hybrid method using the widely-used WIEN2k and VASP codes to calculate the complete set of XAS/EELS edges in a hundred-atoms system
Gael Donval et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Reduction of lattice thermal conductivity of pseudogap intermetallic compound Al3V
Masaya Kumagai et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2016)
Ab initio calculations of X-ray magnetic circular dichroism spectra within the projector augmented wave method: An implementation into the VASP code
Anant Dixit et al.
COMPUTER PHYSICS COMMUNICATIONS (2016)
Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix
Saumitra Saha et al.
ACTA MATERIALIA (2015)
First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods
J. Bekaert et al.
JOURNAL OF APPLIED PHYSICS (2015)
Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn from Computer Simulations?
Jose L. C. Fajin et al.
CATALYSTS (2015)
First-principles calculations of transition metal-solute interactions with point defects in tungsten
Xiang-Shan Kong et al.
ACTA MATERIALIA (2014)
First-principles investigations on the electronic properties and stabilities of low-index surfaces of L12-Al3Sc intermetallic
S. P. Sun et al.
APPLIED SURFACE SCIENCE (2014)
Effects of Micro and Macroalloying on the Formation and Thermal Stability of Nanocrystalline L12-Al3V
S. Z. Anvari et al.
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE (2014)
Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces
E. Simon et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
First-principle study of adhesion, wetting and bonding on Al/Al3V(001) interface
Jian Li et al.
SURFACE SCIENCE (2014)
Chiral, Racemic, and Meso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis
Hamish H. -M. Yeung et al.
CRYSTAL GROWTH & DESIGN (2013)
Electronic, mechanical, and thermodynamic properties of americium dioxide
Yong Lu et al.
JOURNAL OF NUCLEAR MATERIALS (2013)
Role of alkaline earth metals adsorption on capped single-walled carbon nanotubes based on first-principles calculations
Weihui Liu et al.
PHYSICA B-CONDENSED MATTER (2013)
Ab initio calculations on elastic properties in L12 structure Al3X and X3Al-type (X= transition or main group metal) intermetallic compounds
T. Tian et al.
SOLID STATE COMMUNICATIONS (2013)
The Effect of Si Impurity at the Al Σ5 Grain Boundary: a First Principle Computational Tensile Test Study
Jiuhui Li et al.
ACTA METALLURGICA SINICA-ENGLISH LETTERS (2013)
Introducing k-point parallelism into VASP
Asimina Maniopoulou et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2 and CuInSe2-CuAlSe2 pseudobinary systems
Yu Kumagai et al.
PHYSICAL REVIEW B (2012)
FP-LAPW investigation of structural, electronic, and thermodynamic properties of Al3V and Al3Ti compounds
R. Boulechfar et al.
PHYSICA B-CONDENSED MATTER (2010)
First-principles characterization of the anisotropy of theoretical strength and the stress-strain relation for a TiAl intermetallic compound
Hong-Bo Zhou et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Effect of He on the structure and bonding properties of W: A first-principles computational tensile test
Yue-Lin Liu et al.
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2009)
Ab-initio simulations of materials using VASP: Density-functional theory and beyond
Juergen Hafner
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Effects of segregated Ga on an Al grain boundary: A first-principles computational tensile test
Ying Zhang et al.
MATERIALS TRANSACTIONS (2006)
Structural, electronic, and optical properties of NiAl3:: First-principles calculations
R. Saniz et al.
PHYSICAL REVIEW B (2006)
Nucleation of Al3Zr and Al3Sc in aluminum alloys:: From kinetic Monte Carlo simulations to classical theory -: art. no. 064109
E Clouet et al.
PHYSICAL REVIEW B (2004)
Calculation of the vibrational contribution to the Gibbs energy of formation for Al3Sc
XG Lu et al.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2002)
Covalent bonding and bandgap formation in intermetallic compounds:: a case study for Al3V
M Krajcí et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Nanoscale structural evolution of Al3Sc precipitates in Al(Sc) alloys
EA Marquis et al.
ACTA MATERIALIA (2001)
Density of constitutional and thermal point defects in L12 Al3Sc -: art. no. 094103
C Woodward et al.
PHYSICAL REVIEW B (2001)