Browse by Subject REAXFF

Showing results 1 to 5 of 5

1
Effect of Argon Gas in Oxygen Catalytic Recombination on a Silica Surface: A Reactive Molecular Dynamics Study

Yang, Yosheph; Peddakotla, Sai Abhishek; Kumar, Rakesh; Park, Gisu, ACTA ASTRONAUTICA, v.175, pp.531 - 539, 2020-10

2
Liquefaction of H-2 molecules upon exterior surfaces of carbon nanotube bundles

Han, SS; Kang, Jeung Ku; Lee, HyuckMo; van Duin, ACT; Goddard, WA, APPLIED PHYSICS LETTERS, v.86, no.20, pp.40 - +, 2005-05

3
Peel-and-Stick: Mechanism Study for Efficient Fabrication of Flexible/Transparent Thin-film Electronics

Lee, Chi Hwan; Kim, Jae-Han; Zou, Chenyu; Cho, In Sun; Weisse, Jeffery M.; Nemeth, William; Wang, Qi; et al, SCIENTIFIC REPORTS, v.3, 2013-10

4
Understanding Ionic Diffusion Mechanisms in Li<sub>2</sub>S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

D'Amore, Maddalena; Yang, Moon Young; Das, Tridip; Ferrari, Anna Maria; Kim, Minho M.; Rocca, Riccardo; Sgroi, Mauro; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.127, no.47, pp.22880 - 22888, 2023-11

5
Unraveling Structural Models of Graphite Fluorides by Density Functional Theory Calculations

Han, Sang Soo; Yu, Ted H.; Merinov, Boris V.; van Duin, Adri C. T.; Yazami, Rachid; Goddard, William A., III, CHEMISTRY OF MATERIALS, v.22, no.6, pp.2142 - 2154, 2010-03

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