58 citations · 147 across the 8 of their papers we have counts for
9 papers
Energy-composition relations in Ni(AlX) phases
Nikolai A. Zarkevich, Timothy M. Smith, John W. Lawson
The secondary phase, such as NiAl-based , is crucially important for precipitation strengthening of superalloys. Composition-structure-property relations provi…
Energy landscape in NiCoCr-based middle-entropy alloys
Nikolai A. Zarkevich, Timothy M. Smith, John W. Lawson
NiCoCr middle-entropy alloy is known for its exceptional strength at both low and elevated operating temperatures. Mechanical properties of NiCoCr-based alloys are affected by cert…
Density matrix calculation of optical constants from optical to x-ray frequencies
M. P. Prange, J. J. Rehr, G. Rivas +2
We present a theory of linear optical constants based on a single-particle density matrix and implemented in an extension of the real-space multiple scattering code FEFF. This appr…
Current-voltage curves for molecular junctions: the effect of substituents
Charles W. Bauschlicher, John W. Lawson
We present current-voltage (I-V) curves for phenylene ethynylene oligomers between two Au surfaces computed using a Density Functional Theory/Green's Function approach. In addition…
Adaptive Programming of Unconventional Nano-Architectures
John W. Lawson, David H. Wolpert
Novel assembly processes for nanocircuits could present compelling alternatives to the detailed design and placement currently used for computers. The resulting architectures howev…
Current-Voltage Curves for Molecular Junctions Computed Using All-Electron Basis Sets
Charles W. Bauschlicher, John W. Lawson
We present current-voltage (I-V) curves computed using all-electron basis sets on the conducting molecule. The all-electron results are very similar to previous results obtained us…