2. Modeling and Simulation in Materials Science

  1. Dr. Dierk Raabe1,2

Published Online: 24 MAR 2004

DOI: 10.1002/3527601945.ch2

Computational Materials Science: The Simulation of Materials, Microstructures and Properties

Computational Materials Science: The Simulation of Materials, Microstructures and Properties

How to Cite

Raabe, D. (1998) Modeling and Simulation in Materials Science, in Computational Materials Science: The Simulation of Materials, Microstructures and Properties, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527601945.ch2

Author Information

  1. 1

    Department for Materials Science & Engineering, Carnegie Mellon University, Room 3317, Wean Hall, Pittsburgh, PA 15213-3890, USA

  2. 2

    Institut für Metallkunde und Metallphysik, RWTH Aachen, Kopernikusstraße 14, 52056 Aachen, Germany

Publication History

  1. Published Online: 24 MAR 2004
  2. Published Print: 1 JUN 1998

ISBN Information

Print ISBN: 9783527295418

Online ISBN: 9783527601943

SEARCH

Keywords:

  • modeling;
  • simulation;
  • materials science;
  • state variable concept;
  • atomic scale;
  • variables;
  • equations;
  • parameters;
  • phenomenological modeling concepts;
  • analytical model;
  • numerical counterpart;
  • numerical modeling;
  • numericalsimulation;
  • Round-Robin tests

Summary

This chapter contains sections titled:

  • Some Notions

  • The Basic Idea behind Modeling

  • The Generalized State Variable Concept

    • Concepts for Models beyond the Atomic Scale

    • Independent Variables

    • State Variables or Dependent Variables

    • Kinematic Equations

    • Equations of State

    • Structure Evolution Equations

    • Parameters

    • Examples of Phenomenological Modeling Concepts

    • Analytical Model and Numerical Counterpart

  • Numerical Modeling and Simulation

  • Categories of Models

    • Spatial Scale

    • Spatial Dimension

    • Spatial Discretization

    • Predictive Character

    • Descriptive Character

    • Path-Dependence

  • Round-Robin Tests