First Principles Modelling of Shape Memory Alloys - Molecular Dynamics Simulations

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.

List of contents

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

Summary

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.

Product details

• Authors: Oliver Kastner
• Publisher: Springer, Berlin
• Languages: English
• Product format: Hardback
• Released: 08.02.2012
• EAN: 9783642286186
• ISBN: 978-3-642-28618-6
• No. of pages: 176
• Weight: 403 g
• Illustrations: XVI, 176 p.
• Series: Springer Series in Materials Science; Springer Series in Materials Science
• Subjects: Natural sciences, medicine, IT, technology > Physics, astronomy > Electricity, magnetism, optics; B, Physics, Complex systems, Metals technology / metallurgy, Thermodynamics, Theoretical, Mathematical and Computational Physics, Physics and Astronomy, Thermodynamics & heat, Metals, Metallic Materials, Metals and Alloys, Phase Transitions and Multiphase Systems, Phase transitions (Statistical physics), Mathematical physics, Dynamical systems, Numerical and Computational Physics, Simulation, Dynamics & statics, Statistical physics, Statistical Physics and Dynamical Systems