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Classical trajectory Monte Carlo simulation of plasma fueling using magnetic plasma expulsion
Article describes a study exploring the possibility of fueling a magnetically confined plasma using particle sources located inside of the plasma.
Date:
July 11, 2019
Creator:
Martinez, Armando & Ordonez, Carlos A.
System:
The UNT Digital Library
Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
Article presents a rigorous and systematic study of the band alignment of semiconductors in aqueous solutions by contrasting a range of hybrid explicit/implicit models against explicit atomistic simulations based on density-functional theory.
Date:
October 11, 2019
Creator:
Hörmann, Nicolas; Guo, Zhendong; Ambrosio, Francesco; Andreussi, Oliviero; Pasquarello, Alfredo & Marzari, Nicola
System:
The UNT Digital Library
Grand canonical simulations of electrochemical interfaces in implicit solvation models
Article discussing grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments.
Date:
August 31, 2018
Creator:
Hörmann, Nicolas; Andreussi, Oliviero & Marzari, Nicola
System:
The UNT Digital Library