First Principles Modelling of Shape Memory Alloys

Molecular Dynamics Simulations
2012
ISBN: 978-3-642-44361-9
Verlag: Springer

Buch, Englisch, Band 163, 176 Seiten, Previously published in hardcover, Format (B × H): 155 mm x 235 mm, Gewicht: 300 g

Reihe: Springer Series in Materials Science

Materials sciences relate the macroscopic properties of materials to their microscopic structure and postulate the need for holistic multiscale research. The investigation of shape memory alloys is a prime example in this regard. This particular class of materials exhibits strong coupling of temperature, strain and stress, determined by solid state phase transformations of their metallic lattices.
The present book presents a collection of simulation studies of this behaviour. Employing conceptually simple but comprehensive models, the fundamental material properties of shape memory alloys are qualitatively explained from first principles. Using contemporary methods of molecular dynamics simulation experiments, it is shown how microscale dynamics may produce characteristic macroscopic material properties.
The work is rooted in the materials sciences of shape memory alloys and  covers  thermodynamical, micro-mechanical  and crystallographical aspects. It addresses scientists in these research fields and their students.

Zielgruppe

Research

Autoren/Hrsg.

Kastner, Oliver

Fachgebiete

• Naturwissenschaften Physik Physik Allgemein Theoretische Physik, Mathematische Physik, Computerphysik
• Naturwissenschaften Physik Thermodynamik Festkörperphysik, Kondensierte Materie
• Naturwissenschaften Physik Quantenphysik Atom- und Molekülphysik

Inhaltsverzeichnis

Preparations.- Method.- Two 3D Examples.- 2D Lennard-Jones Crystals.- Résumée.