67 citations · 154 across the 9 of their papers we have counts for
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Study of anharmonicity in Zirconium Hydrides using inelastic neutron scattering and ab-initio computer modeling
Jiayong Zhang, Yongqiang Cheng, Alexander I. Kolesnikov +3
The anharmonic phenomena in Zirconium Hydrides and Deuterides, including ε-ZrH2, γ-ZrH, and γ-ZrD, have been investigated from aspects of inelastic neutron scattering (INS) and lat…
First-principles methodology for quantum transport in multiterminal junctions
Kamal K. Saha, Wenchang Lu, J. Bernholc +1
We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theor…
Ab initio simulations of H2 in Li-doped carbon nanotube systems
Abdenour Sabir, Wenchang Lu, Christopher Roland +1
Because of their unique structure, it has been proposed that carbon nanotube ropes may well provide an ideal container for the storage of molecular hydrogen. Indeed, there has been…