Vol. 52 No. 3 CONTENTS
Special Issue on
Molecular Dynamics
General Paper

Special Issue on Molecular Dynamics (Vol.52 No.3)

Original Paper (Vol.52 No.3)

Atomic Simulation on Deformation of Single-Wall Carbon Nanotube Based on Tight-Binding Molecular Dynamics

Yoshitaka UMENO, Takayuki KITAMURA and Eiji MATSUI

219

The Development of Molecular Dynamics Potential for Si-H System and Its Application to the CVD Reaction Process

Satoshi IZUMI, Yuusuke SATO, Shotaro HARA and Shinsuke SAKAI

225

The Interface Energy and Interface Stress of Amorphous Silicon

Satoshi IZUMI, Shotaro HARA and Shinsuke SAKAI

231

Molecular Dynamics Simulation of Deformation-Induced Nanocrystallization in an Amorphous Metal

Ryosuke MATSUMOTO, Hiroshi KITAGAWA and Akihiro NAKATANI

235

Lattice Instability Analysis of Silicon and Aluminum under [001] Uniaxial Tension by Means of ab initio Molecular Dynamics

Kisaragi YASHIRO, Masashi OHO, Katsuya YAMAGAMI and Yoshihiro TOMITA

241

Visualization of Internal Deformation and Fracture of Three-Dimensional Crystal Structure

Tadashi OGIHARA, Ryoukichi HAMAJIMA and Mitsuaki MOTOJIMA

247

Molecular Dynamics Simulation of Mechanical Behaviors of a System Including Both a Crack and Grain Boundaries under Cyclic Loading

Kenji NISHIMURA and Noriyuki MIYAZAKI

253

Development of More Efficient Programs for the First-Principles Molecular-Dynamics Method Using the RMM-DIIS Scheme

Masanori KOHYAMA, Shingo TANAKA and Kazuyuki OKAZAKI

260


General Paper (Vol.52 No.3)

Technical Topics (Vol.52 No.3)

Electromagnetic-Acoustic-Resonance Study on Fatigue of Metals -Noncontact Monitoring of Crack Initiation and Dislocation-Structure Change-

Hirotsugi OGI and Masahiko HIRAO

267

Original Paper (Vol.52 No.3)

Metallo-Thermo-Mechanical Simulation of the Effect of Carbon Content on Laser-Hardenability for Cr-Mo Steels

Kazuyuki NAKASAKI and Tatsuo INOUE

273

Inelastic Deformation of Epoxy under Fundamental Loading Conditions and Application of Inelastic Constitutive Equation

Mamoru MIZUNO and Masahiko HIDA

281

Yield Process of Amorphous Polymers PC and PVC

Masayoshi KITAGAWA and Takuya TUZUKU

288

Influence of Additives on Fluidity of Cement Paste with Polycarboxylate-Based Superplasticizers

Hiroyoshi KATO, Toyoaki MIYAGAWA, Akinori NAKAMURA@and Hiroyuki DOI

294

Effect of Pit Destruction and Boric Compounds on Flame Retardancy of Woods

Tomoyuki ISHIKAWA, Kiyoshi HORIUCHI, Hiroyuki SHIBATA, Kazumitsu TOYA and Kunihiko TAKEDA

301

Mechanical Properties of Xenograft Used for a Scaffold for Regeneration of Blood Vessels

Shugo NOMURA, Toshikazu TAKIGAWA, Toshiro MASUDA, Nobushige TAMURA, Tatsuo NAKAMURA and Yasuhiko SHIMIZU

309

Viscoelasticity and Birefringence of Polycarbonate Derivatives

Tadashi INOUE, Kunihiro OSAKI, Hironobu MORISHITA, Hiroyuki TAMURA and Shuji SAKAMOTO

314

Application of Poly(Alkoxymethyl Acrylamide) to Primers in Adhesive Bonding of Polypropylene

Kohei SHIRAISHI, Hisashi MATSUDA,Toshihiko OHASHI, Yoshikuni YOSHIMITSU and Kazuo SUGIYAMA

319

Lecture (Vol.52 No.3)

Fundamentals and Recent Topics on Fatigue‡U:Microscopic Observations of Fatigue Mechanisms

Yoshikazu NAKAI and Atsushi SUGETA

325