Browse "Dept. of Materials Science and Engineering(신소재공학과)" by Subject MOLECULAR-DYNAMICS SIMULATIONS

Showing results 1 to 4 of 4

1
Catalytic Characteristics of AgCu Bimetallic Nanoparticles in the Oxygen Reduction Reaction

Shin, Kihyun; Kim, Da-Hye; Lee, Hyuck-Mo, CHEMSUSCHEM, v.6, no.6, pp.1044 - 1049, 2013-06

2
Dissecting functional degradation in NiTi shape memory alloys containing amorphous regions via atomistic simulations

Ko, Won-Seok; Choi, Won Seok; Xu, Guanglong; Choi, Pyuck-Pa; Ikeda, Yuji; Grabowski, Blazej, ACTA MATERIALIA, v.202, no.1, pp.331 - 349, 2021-01

3
Optimization and application of lithium parameters for the reactive force field, ReaxFF

Han, SS; van Duin, ACT; Goddard, WA; Lee, HyuckMo, JOURNAL OF PHYSICAL CHEMISTRY A, v.109, no.20, pp.4575 - 4582, 2005-05

4
The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFF(HBN) development

Han, SS; Kang, Jeung Ku; Lee, HyuckMo; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.123, no.11, pp.4381 - 4396, 2005-09

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