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First-principles simulations of plasticity in body-centered-cubic magnesium-lithium alloys
British Library Online Contents | 2014| -
Orbital-free density functional theory study of crystalline Li–Si alloys
British Library Online Contents | 2014| -
ChemInform Abstract: New Concepts and Modeling Strategies to Design and Evaluate Photo-Electro-Catalysts Based on Transition Metal Oxides
British Library Online Contents | 2013| -
Strategies to suppress cation vacancies in metal oxide alloys: consequences for solar energy conversion
British Library Online Contents | 2015| -
Ab initio density functional theory+U predictions of the shear response of iron oxides
British Library Online Contents | 2010| -
First principles study of bonding, adhesion, and electronic structure at the Cu"2O(111)/ZnO101@?0 interface
British Library Online Contents | 2013| -
Effect of dopants on alumina grain boundary sliding: implications for creep inhibition
British Library Online Contents | 2009| -
Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics
British Library Online Contents | 2009| -
The effect of platinum on Al diffusion kinetics in b-NiAl: Implications for thermal barrier coating lifetime
British Library Online Contents | 2010| -
Adsorption of Al, O, Hf, Y, Pt, and S Atoms on alpha-Al~2O~3(0001)
British Library Online Contents | 2007| -
Ni and Al diffusion in Ni-rich NiAl and the effect of Pt additions
British Library Online Contents | 2010| -
First-principles assessment of hydrogen absorption into FeAl and Fe3Si: Towards prevention of steel embrittlement
British Library Online Contents | 2010| -
Structure and adhesion of MoSi2/Ni interfaces: Evaluation of MoSi2 as an alternative bond coat alloy
British Library Online Contents | 2009| -
Ab initio LDA+U prediction of the tensile properties of chromia across multiple length scales
British Library Online Contents | 2009| -
The Effect of Platinum on Diffusion Kinetics in b-NiAl: Implications for Thermal Barrier Coating Lifetimes
British Library Online Contents | 2009| -
The Effect of Platinum on Diffusion Kinetics in b-NiAl: Implications for Thermal Barrier Coating Lifetimes
British Library Online Contents | 2009| -
Insight into Selected Reactions in Low-Temperature Dimethyl Ether Combustion from Born-Oppenheimer Molecular Dynamics
British Library Online Contents | 2006| -
Shear strength of chromia across multiple length scales: An LDA+U study
British Library Online Contents | 2009|
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