MULTISCALE KINETIC MODELLING OF MATERIALS

Volume 129

doi: 10.4028/www.scientific.net/SSP.129

Paper Title Page

Authors: Christine Goyhenex, R.V.P. Montsouka, Mirosław Kozłowski, Veronique Pierron-Bohnes

Abstract: The L10 ordered MPt(001) thin films (M = Fe or Co) are very interesting for perpendicular recording due to their magnetic anisotropy and...

59
Authors: Mihai Cosmin Marinica, F. Willaime

Abstract: We have addressed two issues concerning the relative stabilities of various orienta- tions of interstitial clusters in iron by making a...

67
Authors: Guillaume Vérité, F. Willaime, Chu Chun Fu

Abstract: The vacancy properties in group-IV hexagonal close-packed metals (Ti, Zr and Hf) have been investigated by Density Functional Theory (DFT)...

75
Authors: Hua Long Li, Jong Tae Park, Jerzy A. Szpunar

Abstract: Controlling texture and microstructure evolution during annealing processes is very important for optimizing properties of steels. Theories...

83
Authors: Nele Moelans, Bart Blanpain, Patrick Wollants

Abstract: A phase field model for simulating grain growth and thermal grooving in thin films is presented. Orientation dependence of the surface free...

89
Authors: Masahiko Matsubara, Carlo Massobrio

Abstract: We present an analysis of charge effects on the highly silicon doped heterofullerenes C30Si30. Structural and electronic properties are...

95
Authors: Z. Erdélyi, Dezső L. Beke, G.A. Langer, A. Csik

Abstract: In nanostructured materials, where the density of grain- and interphase-boundaries is high, the diffusion and kinetics of surface...

105
Authors: Irina V. Belova, Graeme E. Murch, Nilindu Muthubandara, Andreas Öchsner

Abstract: The presence of atomic oxygen at internal metal-ceramic oxide interfaces significantly affects the physical properties of the interfaces...

111
Authors: M. Spychalski, Tomasz Wejrzanowski, Krzysztof Jan Kurzydlowski

Abstract: In the present study Finite Element Method (FEM) has been applied for modelling of indentation process in polycrystalline metals. Two...

119
Authors: Alexander V. Evteev, Elena V. Levchenko, Irina V. Belova, Graeme E. Murch

Abstract: Molecular dynamics simulation using the embedded-atom method is applied to study defect formation and distribution in a hollow Pd...

125

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