Related references
Note: Only part of the references are listed.Orbital-free density functional theory study of the energetics of vacancy clustering and prismatic dislocation loop nucleation in aluminium
Balachandran Radhakrishnan et al.
PHILOSOPHICAL MAGAZINE (2016)
Elastic and Thermodynamic Properties of Complex Mg-Al Intermetallic Compounds via Orbital-Free Density Functional Theory
Houlong Zhuang et al.
PHYSICAL REVIEW APPLIED (2016)
Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations
Mohan Chen et al.
COMPUTER PHYSICS COMMUNICATIONS (2015)
Supercell-size convergence of formation energies and gap levels of vacancy complexes in crystalline silicon in density functional theory calculations
J. Dabrowski et al.
PHYSICAL REVIEW B (2015)
Real-space formulation of orbital-free density functional theory using finite-element discretization: The case for Al, Mg, and Al-Mg intermetallics
Sambit Das et al.
PHYSICAL REVIEW B (2015)
Energetics and nucleation of point defects in aluminum under extreme tensile hydrostatic stresses
Mrinal Iyer et al.
PHYSICAL REVIEW B (2014)
Density Functional Theory Models for Radiation Damage
S. L. Dudarev
ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43 (2013)
Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations
Linda Hung et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Effect of cell size on the energetics of vacancies in aluminum studied via orbital-free density functional theory
Balachandran Radhakrishnan et al.
PHYSICAL REVIEW B (2010)
Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission
Xian-Ming Bai et al.
SCIENCE (2010)
Supercell size scaling of density functional theory formation energies of charged defects
N. D. M. Hine et al.
PHYSICAL REVIEW B (2009)
Orbital-free density functional theory simulations of dislocations in aluminum
Ilgyou Shin et al.
PHILOSOPHICAL MAGAZINE (2009)
Introducing PROFESS: A new program for orbital-free density functional theory calculations
Gregory S. Ho et al.
COMPUTER PHYSICS COMMUNICATIONS (2008)
Transferable local pseudopotentials for magnesium, aluminum and silicon
Chen Huang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Challenges in modeling materials properties without experimental input
Emily A. Carter
SCIENCE (2008)
Non-periodic finite-element formulation of orbital-free density functional theory
Vikram Gavini et al.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2007)
Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation
Vikram Gavini et al.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2007)
Energetics and kinetics of vacancy diffusion and aggregation in shocked aluminium via orbital-free density functional theory
Gregory Ho et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Hydrogen embrittlement of aluminum: The crucial role of vacancies
G Lu et al.
PHYSICAL REVIEW LETTERS (2005)
Multiscale modelling of defect kinetics in irradiated iron
CC Fu et al.
NATURE MATERIALS (2005)
Transferable local pseudopotentials derived via inversion of the Kohn-Sham equations in a bulk environment
BJ Zhou et al.
PHYSICAL REVIEW B (2004)
Orbital-free density functional theory calculations of the properties of Al, Mg and Al-Mg crystalline phases
KM Carling et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2003)
Vacancy concentration in Al from combined first-principles and model potential calculations -: art. no. 054101
KM Carling et al.
PHYSICAL REVIEW B (2003)
Ab initio study on divacancy binding energies in aluminum and magnesium
T Uesugi et al.
PHYSICAL REVIEW B (2003)
Orbital-free kinetic-energy functionals for the nearly free electron gas (vol B 58, pg 13465, 1998)
YA Wang et al.
PHYSICAL REVIEW B (2001)
Orbital-free kinetic-energy density functionals with a density-dependent kernel (vol B 60, pg 16 350, 1999)
YA Wang et al.
PHYSICAL REVIEW B (2001)
Determining the range of forces in empirical many-body potentials using first-principles calculations
MI Baskes et al.
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES (2001)
Vacancies in metals:: From first-principles calculations to experimental data
K Carling et al.
PHYSICAL REVIEW LETTERS (2000)
Share Paper
