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Computation and Theoretical Methods, Introduction

Computation and Theoretical Methods

  1. Juan M. Sanchez

Published Online: 12 OCT 2012

DOI: 10.1002/0471266965.com008.pub2

Characterization of Materials

Characterization of Materials

How to Cite

Sanchez, J. M. 2012. Computation and Theoretical Methods, Introduction. Characterization of Materials. 1.

Author Information

  1. The University of Texas at Austin, Austin, TX, USA

Publication History

  1. Published Online: 12 OCT 2012


This chapter of the second edition of Characterization of Materials is aimed at complementing and providing the basic theoretical and computational underpinnings for the experimental techniques and tools presented throughout the volume. Historically, theoretical understanding of materials properties has been a prerequisite for the development of experimental tools and, as such, there is an inextricable connection between theory and experimentation. The collection of papers in this chapter is aimed at providing some of the fundamental principles behind the characterization tools presented throughout the volume and the interpretation of the results they produce. Beyond that objective, the chapter also aims at revealing the extent to which modeling and simulation have evolved over the last few decades. Materials theory, modeling, and simulation have evolved past their traditional role of providing general guiding principles and the basis for rationalizing and understanding materials properties. At present, modeling and simulation have achieved a high level of predictive capability for a wealth of materials properties, making them almost indispensable tools to materials scientists and engineers.


  • materials simulation;
  • modeling;
  • computational characterization