Applied computational materials modeling : Theory, simulation and experiment

Applied computational materials modeling : Theory, simulation and experiment

Author
Guillermo Bozzolo, Ronadl D. Noebe, Phillip B. Abel ...
Publication Year
2007
Publisher
Springer
Language
English
Document Type
Book
Faculty / Subject Heading
Chemistry and Materials Science

this book provides the average person working in the materials field with a more balanced perspective of the role that computational modeling can play in every day research and development efforts. This is done by presenting a series of examples of the successful application of various computational modeling procedures (everything from first principles to quantum approximate to CALPHAD methods) to real life surface and bulk alloy problems.This book should have a large appeal in the materials community, both for experimentalists who would greatly benefit from adding computational methods to their everyday research regimes, as well as for those scientists/engineers familiar with a particular computational method who would like to add complementary techniques to their arsenal of research and development tools


Keywords: Chemistry and Materials Science / Dynamics / Potential / Alloy / Calculus / Computational materials science / Crystal / Evolution / Linear optimization / Modeling / Simulation / Surface science / Thermodynamics