By
Koenraad Janssens, Scientist, Paul Scherrer Institute, Villigen PSI, Switzerland
Dierk Raabe, Director and Executive,
Max-Planck-Institut für Eisenforschung GmbH
Ernest Kozeschnik
Mark Miodownik
Britta Nestler
Description
Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior,
including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis
will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers
to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs
and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers,
materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical
engineers, and chemical engineers.
Readers from students to practicing engineers to materials research scientists will find in
this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior.
The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material
interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems.
Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented
herein can be put to real-world use.
Audience:
Graduate Engineering Students in computational materials modeling and related courses in materials and materials processing simulation; Graduate Students in related science disciplines who may wish to take a materials course elective, including students in
chemistry, physics and the life sciences; Professional Engineers and Scientists working in materials research, including all areas of
materials science and engineering, generally, as well as chemical engineering, metallurgy, and biomaterials
