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  1. No Access

    Article

    Effect of atomic scale plasticity on hydrogen diffusion in iron: Quantum mechanically informed and on-the-fly kinetic Monte Carlo simulations

    We present an off-lattice, on-the-fly kinetic Monte Carlo (KMC) model for simulating stress-assisted diffusion and trap** of hydrogen by crystalline defects in iron. Given an embedded atom (EAM) potential as...

    A. Ramasubramaniam, M. Itakura, M. Ortiz, E.A. Carter in Journal of Materials Research (2008)

  2. No Access

    Chapter and Conference Paper

    Discrete Dislocation Dynamics in Crystals

    We present a study of 3D dislocation dynamics in BCC crystals based on discrete crystal elasticity. Ideas are borrowed from discrete differential calculus and algebraic geometry to construct a mechanics of dis...

    M. P. Ariza, A. Ramasubramaniam… in Progress in Industrial Mathematics at ECMI 2006 (2008)