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Theory, Modeling and Numerical Simulation

Volume 139
doi: 10.4028/www.scientific.net/SSP.139
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Preface

Atomistic Simulations of the Aluminum-Silicon Interfaces under Shear Loading

Authors: Alice Noreyan, Vesselin Stoilov

1

Shock Loading of Bone-Inspired Metallic Nanocomposites

Authors: Dipanjan Sen, Markus J. Buehler

11

Hydrogen Storage in MgH2 Matrices: An Ab-Initio Study of Mg-MgH2 Interface

Authors: Simone Giusepponi, Massimo Celino, Fabrizio Cleri, Amelia Montone

23

First-Principles Calculations of the Atomic and Electronic Structures in Au-Pd Slab Interfaces

Authors: Noboru Taguchi, Shingo Tanaka, Tomoki Akita, Masanori Kohyama, Fuminobu Hori

29

In-Diffusion and Out-Diffusion of Oxygen from a Composite Containing Random Traps

Authors: Irina V. Belova, Graeme E. Murch

35

Effects of Supports on Hydrogen Adsorption on Pt Clusters

Authors: K. Okazaki-Maeda, Y. Morikawa, Shingo Tanaka, Masanori Kohyama

41

First-Principles Calculations of Pd/Au(100) Interfaces with Adsorbates

Authors: Shingo Tanaka, Noboru Taguchi, Tomoki Akita, Fuminobu Hori, Masanori Kohyama

47

In-Plane Rotated Crystal Structure in Continuous Growth of Bismuth Cuprate Superconducting Film

Authors: Satoru Kaneko, Kensuke Akiyama, Takeshi Ito, Yasuo Hirabayashi, Hiroshi Funakubo, Mamoru Yoshimoto

53

Dynamical Interaction between Thermally Activated Glide of Screw Dislocation and Self-Interstitial Clusters in Bcc Fe

Authors: X.Y. Liu, S.B. Biner

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