Browsing bySubjectMolecular dynamics simulation

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Showing results 1 to 20 of 20

Issue DateTitleAuthor(s)
2014-12-15A semi-empirical methodology to predict hydrogen permeability in amorphous alloy membranesLee, Byeong-Moon; Shim, Jae-Hyeok; Suh, Jin-Yoo; Lee, Byeong-Joo
2019-12-05Analysis of an insertion efficiency of solvents for sulfur-doped reduced graphene oxide sheets using molecular dynamics simulationsOh Yuna; Bon-Cheol Ku; YOU NAM HO; Kim, Young Kwan; Yonjig Kim; Jaesang Yu
-Atomistic observation of the lithiation and delithiation behaviors of silicon nanowires using reactive molecular dynamics simulationsHAN Sang Soo
-Atomistic Observation on Lithiation and Delithiation Behaviors of Silicon Nanowires: Reactive Molecular Dynamics SimulationJung Hyun; Joo Jaeyong; Lee, Kwang Ryeol; HAN Sang Soo
2018-08Comparison of empirical potentials for calculating structural properties of amorphous carbon films by molecular dynamics simulationLi, Xiaowei; Wang, Aiying; Lee, Kwang-Ryeol
2021-05Distribution characteristics of phosphoric acid and PTFE binder on Pt/C surfaces in high-temperature polymer electrolyte membrane fuel cells: Molecular dynamics simulation approachKwon, Sung Hyun; Lee, So Young; Kim, Hyoung-Juhn; Jang, Seung Soon; Lee, Seung Geol
2022-10Glutamate Permeability of Chicken Best1Lee, Jung Moo; Gadhe Changdev Gorakshnath; Kang, Hyunji; Pae, Ae Nim; Lee, ChangJoon Justin
2011-06Hydrogen-induced structural change in Ni90Al10 metallic glassPark, Kyoung-Won; Shibutani, Yoji; Fleury, Eric
2022-05Microscopic understanding of exceptional orientation-dependent tensile and fracture responses of two-dimensional transition-metal carbidesJhon, Young In; Han, Il Ki; Lee, Ju Han; Jhon, Young Min
2014-02-03Molecular dynamics simulation for the influence of incident angles of energetic carbon atoms on the structure and properties of diamond-like carbon filmsLi, Xiaowei; Ke, Peiling; Lee, Kwang-Ryeol; Wang, Aiying
2016-08Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonistCho, Nam-Chul; Seo, Seoung-Hwan; Kim, Dohee; Shin, Ji-sun; Ju, Jeongmin; Seong, Jihye; Seo, Seon Hee; Lee, Iiyoun; Lee, Kyung-Tae; Kim, Yun Kyung; No, Kyoung Tai; Pae, Ae Nim
2013-03-01Prediction of hydrogen permeability in V-Al and V-Ni alloysShim, Jae-Hyeok; Ko, Won-Seok; Kim, Ki-Hyun; Lee, Heung-Soon; Lee, Young-Su; Suh, Jin-Yoo; Cho, Young Whan; Lee, Byeong-Joo
-Quantitative assessment of thermo-mechanical properties for carbon nanotube/polyamide 6-6 composites using molecular dynamics simulationJaesang Yu
-Quantitative assessment of thermo-mechanical properties for carbon nanotube/polycarbonate composites using molecular dynamics simulationChoi Hoi-Kil; Jung Ha Na; Jaesang Yu
2016-02Reassessing the atomic size effect on glass forming ability: Effect of atomic size difference on thermodynamics and kineticsHan, Hyung-Seop; Park, Nayoung; Suh, Jin-Yoo; Nam, Ho-Seok; Seok, Hyun-Kwang; Kim, Won Tae; Kim, Yu-Chan; Cha, Pil-Ryung
2017-04-06ReaxFF Molecular Dynamics Simulations of Water Stability of Interpenetrated Metal-Organic FrameworksLiu, Xiu Ying; Pai, Sung Jin; Han, Sang Soo
2009-05-20Refinement of Protein NMR Structure under Membrane-like Environments with an Implicit Solvent ModelJee, JunGoo; Ahn, Hee-Chul
2020-12Robust mechanical tunability of 2D transition metal carbides via surface termination engineering: Molecular dynamics simulationJhon, Young In; Byun, Young Tae; Lee, Ju Han; Jhon, Young Min
2013-08-15Stress reduction of diamond-like carbon by Si incorporation: A molecular dynamics studyLi, Xiao-Wei; Joe, Min-Woong; Wang, Ai-Ying; Lee, Kwang-Ryeol
2016-05-15Temperature dependent dislocation bypass mechanism for coherent precipitates in Cu-Co alloysShim, Jae-Hyeok; Voigt, Hyon-Jee Lee; Wirth, Brian D.

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