Publications in 2005

I. Szlufarska, R. K. Kalia, A. Nakano, P. Vashishta
Atomistic mechanisms of amorphization during nanoindentation of SiC: a molecular dynamics study
Physical Review B, 71, 174113, (2005) (Journal Pub)

F. Zhou, G. Grigoryan, S. R. Lustig, A. E. Keating, G. Ceder, D. Morgan
Coarse-graining protein energetics in sequence variables
Physical Review Letters, 95, 14, 148103, (2005) (Journal Pub)

S. Curtarolo, D. Morgan, G. Ceder
Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys
CALPHAD, 29, 163, (2005) (Journal Pub)

M. Wagemaker, A. Van Der Ven, D. Morgan, G. Ceder, F. M. Mulder, G. J. Kearley
Thermodynamics of spinel LixTiO2 from first principles
Chemical Physics, 317, 2-3, 130-136, (2005) (Journal Pub)

I. Szlufarska, A. Nakano, P. Vashishta
A crossover in the mechanical response of nanocrystalline ceramics
Science, 309, 5736, 911-914, (2005) (Journal Pub)

I. Szlufarska, R. K. Kalia, A. Nakano, P. Vashishta
Atomistic processes during nanoindentation of amorphous silicon carbide
Applied Physics Letter, 86, 2, 021915, (2005) (Journal Pub)

P. J. Ferreira, G. J. la O’, Y. Shao-Horn, D. Morgan, R. Makharia, S. Kocha, H. A. Gasteiger
Instability of Pt/C electrocatalysts in proton exchange membrane fuel cells – a mechanistic investigation
Journal of The Electrochemical Society, 152, 11, A2256-A227, (2005) (Journal Pub)

D. Morgan, G. Ceder
Data mining in materials development
Handbook of Materials Modeling, Vol. 1, Springer, pp. 395-421 (2005) (Journal Pub)

D. Morgan, S. Curtarolo, G. Ceder
High-throughput and data mining with ab initio methods
Measurement Science and Technology, 16, 296-301, 1, (2005) (Journal Pub)