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Graduate School of Engineering/Department of Mechanical Engineering and Science /
Materials Science Laboratory

Simulation

Fracture (strength) of atomic components

Strength

Film

Ab Initio Simulation on Ideal Shear Strength of Silicon
Yoshitaka Umeno and Takayuki Kitamura
Materials Science and Engineering: B (Elsevier Science)
Vol.B88, pp.79-84(2002)

Wire and tube

Evaluation of Nonuniform Strain in Carbon Nanotube with Bent Junction
Takayuki Kitamura, Yoshitaka Umeno and Yusuke Kinoshita
Journal of Solid Mechanics and Materials Engineering, Vol.1, No.11, pp.1313-1321(2007)

Ideal Strength of Cu Multi-shell Nano-wire
Akihiro Kushima, Yoshitaka Umeno and Takayuki Kitamura
Modeling and Simulation in Materials Science and Engineering, Vo.14, pp.1031-1039 (2006)

Validity of Effective Medium Theory for Aluminum under Tension
Takayuki Kitamura and Yoshitaka Umeno

Other structures

Atomistic Simulation on the Phase Transformation of Silicon under Non-Hydrostatic Stress
Seong-Min Jeong and Takayuki Kitamura
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 46 (9A): pp.5924-5929 (2007)

Ab Initio DFT Simulation of Ideal Shear Deformation of SiC Polytypes
Yoshitaka Umeno, Yusuke Kinoshita and Takayuki Kitamura
Modeling and Simulation in Materials Science and Engineering, Vol.15, pp.27-37 (2007)

Internal Atomic Stress near Σ5 Tilt Grain Boundary in Aluminum under Tension
Takayuki Kitamura, Yoshitaka Umeno and Nagatomo Tsuji
Modelling and Simulation in Materials Science and Engineering, Vol.11, pp.839-849 (2003)

Optimization of Interatomic Potential for Si/SiO2 System Based on Force Matching
Yoshitaka Umeno, Takayuki Kitamura, Kazuyuki Date, Makoto Hayashi and Tomio Iwasaki
Computational Materials Science, Elsevier, Vol.25, pp.447-456 (2002)

Instability

Criterion of Mechanical Instability for Dislocation Structures
Yan Yabin, Tadahiro Kondo, Takahiro Shimada, Takashi Sumigawa and Takayuki Kitamura
Materials Science and Engineering A, Vol.534, pp.681-687 (2012)

Stone-Wales Transformation Triggered by Intrinsic Localized Mode in a Carbon Nanotube
Takahiro Shimada, Daisuke Shirasaki, and Takayuki Kitamura
Physical Review B, Vol.81, 035401 (2010)

Dislocation Nucleation in a Thin Cu Film from Molecular Dynamics Simulation: Instability Activation by Thermal Fluctuations
Yoshitaka Umeno, Takahiro Shimada, and Takayuki Kitamura
Physical Review B, Vol.82, 104108 (2010)
Simplified Analysis of Mechanical Instability in Three-Dimensional Atomic Components and Its Application to Nanoscale Crack
Takahiro Shimada, Satoru Okawa and Takayuki Kitamura
Journal of Solid Mechanics and Materials Engineering, Vol.4, No.7, pp.1071-1082 (2010)

Simplified Evaluation of Mechanical Instability in Large-Scale Atomic Structures
Takahiro Shimada, Satoru Okawa, Shinichiro Minami and Takayuki Kitamura
Materials Science and Engineering A, Vols.513-514, pp.166-171(2009)

Mechanical Instability in Non-uniform Atomic Structure: Application to Amorphous Metal
Yoshitaka Umeno, Takayuki Kitamura and Motoki Tagawa
Materials Science and Engineering: A, 462, pp.450-455 (2007)

Near-Surface Lattice Instability in 2D Fiber and Half-Space
Sergey V. Dmitriev, Takayuki Kitamura, Ju Li, Yoshitaka Umeno, Kisaragi Yashiro and Nobuhiro Yoshikawa
Acta Materialia, Vol.53, pp.1215-1224(2005)

Instability Criterion of Inhomogeneous Atomic System
Yoshitaka Umeno, Takayuki Kitamura, Ryoji Fushino
Material Science and Engineering: A (Elsevier Science), 379 (1-2), pp.229-233 (2004)

Analytical Evaluation of Unstable Deformation Criterion of Atomic Structure and Its Application to Nanostructure
Takayuki Kitamura, Yoshitaka Umeno and Nagatomo Tsuji
Computational Materials Science, Elsevier, Vol. 29, No. 4, pp.499-510 (2004)