Contents52-3

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 FatigueⅡ:Microscopic Observations of Fatigue Mechanisms

Yoshikazu NAKAI and Atsushi SUGETA
325

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

Electromagnetic-Acoustic-Resonance Study on Fatigue of Metals -Noncontact Monitoring of Crack Initiation and Dislocation-Structure Change-
Hirotsugi OGI and Masahiko HIRAO	267

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

Fundamentals and Recent Topics on FatigueⅡ:Microscopic Observations of Fatigue Mechanisms
Yoshikazu NAKAI and Atsushi SUGETA	325