Numbers refer to the paper index in the list of Publications.
"Hydrogen embrittlement of aluminum: The crucial role of vacancies"
G. Lu and E. Kaxiras,
Phys. Rev. Lett. 94 (15) 155501 (2005).
"Can vacancies lubricate dislocation motion in aluminum?"
G. Lu and E. Kaxiras,
Phys. Rev. Lett. 89 , 105501 (2002).
"Energetics of hydrogen impurities in aluminum and their effect on mechanical properties"
G. Lu, D. Orlikowski, I. Park, O. Politano and E. Kaxiras,
Phys. Rev. B
65 , 064102 (2002).
"Dislocation core properties of aluminum: a first-principles study"
G. Lu, N. Kioussis, V.V. Bulatov and E. Kaxiras,
Mat. Sci. and Engin. A 309 , 142 (2001).
"Hydrogen enhanced local plasticity in Aluminum: an ab-initio study"
G. Lu, Q. Zhang, N. Kioussis and E. Kaxiras,
Phys. Rev. Lett. 87 , 095501 (2001).
"Generalized stacking fault energy surface and dislocation properties of aluminum"
G. Lu, N. Kioussis, V.V. Bulatov and E. Kaxiras,
Phys. Rev. B 62 , 3099 (2000).
"The Peierls-Nabarro model revisited"
G. Lu, N. Kioussis, V.V. Bulatov and E. Kaxiras,
Phil. Mag. Lett. 80 , 675 (2000).
"Modeling brittle and ductile behavior of solids from first-principles calculations"
U.V. Waghmare, E. Kaxiras and M.S. Duesbery,
Phys. Stat. Sol. B 217 , 545 (2000).
"{331} slip on (013) planes in molybdenum disilicide"
U.V. Waghmare, E. Kaxiras, V.
Bulatov and M.S. Duesbery, Phil. Mag. A 79 , 655 (1999).
"Microalloying for ductility in molybdenum disilicide"
U.V. Waghmare, V. Bulatov, E.
Kaxiras, M.S. Duesbery,
Mat. Sci. and Engin. A 261 , 147 (1999).
"Finite-temperature molecular-dynamics study of unstable stacking fault free energies in silicon"
M. DeKoning, A. Antonelli, M.Z. Bazant, E. Kaxiras, J.F. Justo,
Phys. Rev. B 58 , 12555 (1998).
"Effects of alloying on the ductility of MoSi_2 single crystals
from first-principles calculations"
U.V. Waghmare, E. Kaxiras, V. Bulatov and M.S. Duesbery,
Modeling and Simulation in Materials Science and Engineering 6 , 483 (1998).
"Semi-discrete variational Peierls framework for dislocation core properties"
V. V. Bulatov and E.
Kaxiras, Phys. Rev. Lett. 78 , 4221 (1997).
"Slip energy barriers in aluminium and implications for ductile versus brittle behaviour"
Y. Sun and E. Kaxiras, Phil. Mag. A 75 , 1117 (1997).
"Generalized stacking fault energy surfaces and i
dislocation properties of silicon: a first-principles
theoretical study"
Y. Juan and E. Kaxiras, Phil. Mag. A 74 , 1367 (1996).
"Ledge effects on dislocation emission from a crack tip:
a first-principles study for silicon"
Y. Juan,
Y. Sun and E. Kaxiras, Phil. Mag. Lett. 73 , 233 (1996).
"Plastic flow in Si: a first-principles study based on magic strains"
Y. Juan and E. Kaxiras,
Journal of Computer-Aided Materials Design 1 , 55 (1993).
"Free-energies of generalized stacking faults in Si
and implications for the brittle-ductile transition"
E. Kaxiras and M. S. Duesbery, Phys. Rev. Lett. 70 , 3752 (1993).
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