Related references
Note: Only part of the references are listed.Quantum mechanics/molecular mechanics methodology for metals based on orbital-free density functional theory
Xu Zhang et al.
PHYSICAL REVIEW B (2007)
Indentation across size scales and disciplines: Recent developments in experimentation and modeling
Andrew Gouldstone et al.
ACTA MATERIALIA (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)
QM/MM: what have we learned, where are we, and where do we go from here?
Hai Lin et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Prediction of dislocation nucleation during nanoindentation of Al3Mg by the orbital-free density functional theory local quasicontinuum method
RL Hayes et al.
PHILOSOPHICAL MAGAZINE (2006)
From electrons to finite elements: A concurrent multiscale approach for metals
G Lu et al.
PHYSICAL REVIEW B (2006)
Multiscale simulations in simple metals: A density-functional-based methodology
N Choly et al.
PHYSICAL REVIEW B (2005)
Prediction of dislocation nucleation during nanoindentation by the orbital-free density functional theory local quasi-continuum method
RL Hayes et al.
MULTISCALE MODELING & SIMULATION (2005)
Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper
T Zhu et al.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2004)
Effect of indenter-radius size on Au(001) nanoindentation
J Knap et al.
PHYSICAL REVIEW LETTERS (2003)
Polarization switching in PbTiO3:: an ab initio finite element simulation
EB Tadmor et al.
ACTA MATERIALIA (2002)
Multiscale simulations of silicon nanoindentation
GS Smith et al.
ACTA MATERIALIA (2001)
Surface step effects on nanoindentation
JA Zimmerman et al.
PHYSICAL REVIEW LETTERS (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)
Nanoindentation - Simulation of defect nucleation in a crystal
A Gouldstone et al.
NATURE (2001)
Linear-scaling parallel algorithms for the first principles treatment of metals
SC Watson et al.
COMPUTER PHYSICS COMMUNICATIONS (2000)
Discrete and continuous deformation during nanoindentation of thin films
A Gouldstone et al.
ACTA MATERIALIA (2000)
Nucleation of dislocations beneath a plane strain indenter
VB Shenoy et al.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2000)
Share Paper
