Theory, Modeling and Numerical Simulation

Volume 139

doi: 10.4028/

Paper Title Page

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

Abstract: In this study, the role of solute segregation on the strength and the evolution behavior of dislocation junctions is studied by utilizing...

Authors: Iván Santos, Luis Alberto Marqués, Lourdes Pelaz, Pedro Lopez, María Aboy

Abstract: We focus this work on multi-scale modeling of the ion-beam-induced amorphization and recrystallization in Si, although our scheme can be...

Authors: Yun Feng Shi, Donald W. Brenner

Abstract: We present results from molecular dynamics simulations of shock-induced hydrodynamic void collapse in a model energetic crystal. During...

Authors: Zhi Liang Pan, Yu Long Li, Qiu Ming Wei

Abstract: Using molecular dynamics (MD) simulation, we have investigated the mechanical properties and the microstructural evolution of...

Authors: Mikhail D. Starostenkov, Dmitry V. Sinyaev, Roman Y. Rakitin, Gennady M. Poletaev

Abstract: The paper is devoted to the research of diffusion mechanism in Ni3Al intermetallide over grain boundaries of tilt <111> and <100> by the...

Authors: Damian Burch, Gogi Singh, Gerbrand Ceder, Martin Z. Bazant

Abstract: A general continuum model has recently been proposed for the dynamics of ion intercalation in a single crystal of rechargeable-battery...

Authors: Byoung Min Lee, Shinji Munetoh, Teruaki Motooka, Yeo Wan Yun, Kyu Mann Lee

Abstract: The structural properties of SiO2 liquid during cooling have been investigated by molecular dynamics simulations. The interatomic forces...

Authors: Frédéric Soisson, Chu Chun Fu

Abstract: We present Monte Carlo simulations of the first stages of the coherent precipitation of Cu in α-Fe during thermal ageing and under...

Authors: Sudip Chakraborty, G. Sashidhar, S.V. Ghaisas, V. Sundararajan

Abstract: Motivated by the possibility of scaling down of various electronic devices at the nanolevel, we have chosen a simple p-n junction like...

Authors: Ulmas Gafurov

Abstract: A modeling method is suggested on the basis of measurable structural and deformation parameters to estimate the interrelation between the...


Showing 11 to 20 of 26 Paper Titles