1

The Distribution of Framework Aluminum Atoms and Extraframework Exchanged Cations in Faujasite as Studied by Molecular Dynamics, NMR Simulation, Neutron Diffraction Simulation and Computer Graphics


Microporous Materials, 7 (1996) 235-242.


Hiroaki Himei, Michiyuki Yamadaya, Yasunori Oumi, Momoji Kubo,

Andras Stirling, Rajappan Vetrivel, Ewa Broclawik, and Akira Miyamoto

 
2

On the Electronic Structure of the Palladium Monoxide and the Methane Adsorption: Density Functional Calculations


The Journal of Chemical Physics, 104 (1996) 4098-4104.


Ewa Broclawik, Ryo Yamauchi, Akira Endou, Momoji Kubo, and Akira Miyamoto

 
3

Effects of Atomic Arrangement at Tip Apex and Tip-Sample Distance on Atomic Force Microscopy Images: A Simulation Study


Japanese Journal of Applied Physics, 35 (1996) 2318-2325.


Masaharu Komiyama, Shin'ya Ohkubo, Katsuyuki Tazawa, Kazuya Tsujimichi, Akiyasu Hirotani, Momoji Kubo, and Akira Miyamoto

 
4

Role of Density Fluctuations in the Solvation Structure in Supercritical Dilute Solutions: A Molecular Dynamics Study


Fluid Phase Equilibria, 125 (1996) 1-11.


Masahiko Katagiri, Hiromitsu Takaba, Minoru Tanaka, Akira Miyamoto,

Yasuo Nozue, Osamu Terasaki, Nick Quirke, Behnam Vessal, and

John M. Newsam

 
5

Deposition and Surface Dynamics of Metals Studied by the Embedded-Atom Molecular Dynamics Method


Molecular Simulations, 17 (1996) 1-19.


Masahiko Katagiri, Akira Miyamoto, Terry R. Corley, Yongsheng S. Li, and

John M. Newsam

 
6

Simulation of Atomic Force Microscopy Image Variations due to Tip Apex Size: Appearance of Half Spots


Thin Solid Films, 281/282 (1996) 580-583.


Masaharu Komiyama, Katsuyuki Tazawa, Kazuya Tsujimichi, Akiyasu Hirotani, Momoji Kubo, and Akira Miyamoto

 
7

Simulation of AFM/LFM by Molecular Dynamics: Role of Lateral Force in Contact-Mode AFM Imaging


Surface Science, 357/358 (1996) 222-227.


Masaharu Komiyama, Kazuya Tsujimichi, Katsuyuki Tazawa, Akiyasu Hirotani, Hideo Yamano, Momoji Kubo, Ewa Broclawik, and Akira Miyamoto

 
8

Molecular Simulation of the Desorption Process on Solid Surfaces under Vacuum and Supercritical Conditions


Surface Science, 357/358 (1996) 703-707.


Hiromitsu Takaba, Masahiko Katagiri, Momoji Kubo, Rajappan Vetrivel,

Ewa Broclawik, and Akira Miyamoto

 
9

Molecular Dynamics Simulation of Traction Fluid Molecules under EHL Condition


Thin Solid Films, 281/282 (1996) 598-601.


Hideo Yamano, Kazuomi Shiota, Ryuji Miura, Masahiko Katagiri, Momoji Kubo, Andras Stirling, Ewa Broclawik, Akira Miyamoto, and Toshiyuki Tsubouchi

 
10

Forces of a Pt Adatom on a Pt(100) Surface by the Embedded-atom Method


Surface Science, 357/358 (1996) 900-904.


Masahiko Katagiri, Momoji Kubo, Kazuya Tsujimichi, Akira Miyamoto,

Masaharu Komiyama, Yasuo Nozue, Osamu Terasaki, Yongsheng S. Li,

and Behnam Vessal

 
11

The Dynamics of Surface of Metallic and Monolayer Systems: An Embedded-Atom Molecular Dynamics Study


Materials Science & Engineering A, 217/218 (1996) 112-115.


Masahiko Katagiri, Yasuo Nozue, Osamu Terasaki, Momoji Kubo,

Akira Miyamoto, Behnam Vessal, Terry R. Coley, Yongsheng S. Li, and

John M. Newsam

 
12

The Effect of Gas Molecule Affinities for the CO2 Separation Process from the CO2/N2 Gas Mixture Using Inorganic Membrane as Investigated by Molecular Dynamics Simulation


Journal of Membrane Science, 121 (1996) 251-259.


Hiromitsu Takaba, Koichi Mizukami, Momoji Kubo, Andras Stirling,

and Akira Miyamoto

 
13

Simulations of the Effects of Tip Apex Geometries on Atomic Force Microscopy Images


Japanese Journal of Applied Physics, 35 (1996) 4101-4104.


Masaharu Komiyama, Katsuyuki Tazawa, Kazuya Tsujimichi, Akiyasu Hirotani, Momoji Kubo, and Akira Miyamoto

 
14

Quantum Chemical Study on the Silicon Surface Oxidation

 

Proceedings of International Symposium on Material Chemistry in Nuclear Environment, (1996) 453-460.


Akira Endou, Andras Stirling, Ryo Yamauchi, Ewa Broclawik, Momoji Kubo,

Akira Miyamoto, Kazutaka G. Nakamura, and Masahiro Kitajima

 
15

Important Interactions in the de-NOx Process by Quantum Chemical Approach


Proceedings of International Symposium on Material Chemistry in Nuclear Environment, (1996) 461-469.


Andras Stirling, Isao Gunji, Akira Endou, Yasunori Oumi, Momoji Kubo, and Akira Miyamoto