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Computational Quantum Mechanics for Materials Engineers

Name: Computational Quantum Mechanics for Materials Engineers
Brand: Springer London Ltd
SKU: 9781849966856
Price: 142.71 EUR
Availability: InStock

The EMTO Method and Applications

Autor: Levente Vitos

Jazyk:

Väzba: Brožovaná

Vydavateľ: Springer London Ltd

Dostupnosť: Skladom u dodávateľa

Odosielame za 10-18 dní

142.71 €

Traditionally, new materials have been developed by empirically correlating their chemical compositi...

Informácie o knihe

Autor

Levente Vitos

Jazyk

Angličtina

Väzba

Kniha - Brožovaná

Vydalo

2010

Stránok

237

EAN

9781849966856

ISBN

1849966850

Enbook ID

01434595

Vydavateľ

Springer London Ltd

Hmotnosť

391

Rozmery

155 x 235 x 14

Kompletný popis

Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern density functional methods means that today, computational quantum mechanics can help engineers to identify and develop novel materials. §Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques to establish a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates. The practical success of these approaches to applications in all of these areas are covered in detail. The new EMTO-CPA method is detailed, including its application in alloys to model structural stability and elastic properties of random alloys of arbitrary composition and the effect of alloying elements on elastic stiffnesses stacking fault energies and structural parameters. The EMTO-CPA method makes new approaches to computational alloy design feasible. Computational Quantum Mechanics for Materials Engineers shows how the technique will soon allow materials engineers to become "quantum blacksmiths".§Computational Quantum Mechanics for Materials Engineers will interest researchers and postgraduate students in materials science and engineering, solid-state physics and applied quantum mechanics.This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.