Papers Published

  1. Curtarolo, S. and Ceder, G., Dynamics and thermodynamics of a system with multiple length scales, Modeling and Numerical Simulation of Materials Behavior and Evolution. Symposium (Materials Research Society Proceedings Vol.731) (2002), pp. 9 - 14 .
    (last updated on 2007/04/06)

    Descriptions, in which matter can be coarse grained to arbitrary levels, are necessary to study materials phenomena simultaneously at various length scales. Attempts to do this in the static regime have already been developed. In this work, we present an approach that leads to dynamics for such coarse-grained models. Renormalization group theory is used to create new local potentials between nodes. Assuming that these potentials give an averaged description of node dynamics, we calculate thermal, mechanical and transport properties. If this method can be sufficiently generalized it may form the basis of a molecular dynamics method with time and spatial coarse-graining

    elasticity;group theory;heat transfer;molecular dynamics method;stress-strain relations;thermal conductivity;thermal expansion;