Papers by Keyword: Molecular Dynamic (MD)

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Authors: S.M. Kim, Hyun Kyu Kweon

Abstract: This study is about the underlying conjugation mechanism between carbon nanotube and biomolecule by molecular dynamics. In order to know...

Authors: Dušan Račko

Abstract: In the Present Contribution the Atomistic Structure of the Polymer Melt at 300 K Is Simulated by Means of Molecular Dynamics. the Agreement...

Authors: Kausala Mylvaganam, Liang Chi Zhang

Abstract: This paper discusses the methods of promoting covalent bonds between polymer and carbon nanotubes to make high performance composites. Such...

Authors: Yu Mei Dai, Yu Jie Dai

Abstract: The molecular dynamic method and interface diffusion theory are used to simulate Ni/Al metal interface diffusion. One of the unit cells...

Authors: Kang Qi Fan, Chun Hui Xu, Feng Bo Chao

Abstract: There have been increasing research interests in the measurement of the mechanical properties of nanoscale materials by pressing a spherical...

Authors: Sen Wang, Zhi Hui Li, Xin Liu, Huan Zhang

Abstract: Oxygen diffusion in MgO stabilized zirconia has been studied by molecular dynamics simulation method with MOLDY software. The results...

Authors: Takashi Tokumasu

Abstract: The dissociation phenomena of H2 molecule on Pt(111) surface was simulated by Molecular Dynamics (MD) method and the effect of motion of the...

Authors: Chen Dong

Abstract: The diffusion behaviors of Fe adatom on Fe nanoparticles with three different sizes have been explored by molecular dynamics (MD)...

Authors: H. Ogawa, N. Sawaguchi, Fumihiro Wakai
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