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Computational Quantum Mechanics for Materials Engineers

Name: Computational Quantum Mechanics for Materials Engineers
Brand: Springer London Ltd
SKU: 9781849966856
Price: 53201 HUF
Availability: InStock

The EMTO Method and Applications

Szerző: Levente Vitos

Nyelv:

Kötés: Puha kötésű

Kiadó: Springer London Ltd

Elérhetőség: Beszállítói készleten

Küldés 10-18 napon belül

53 201 Ft

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

Információk a könyvről

Szerző

Levente Vitos

Nyelv

Angol

Kötés

Könyv - Puha kötésű

Kiadva

2010

oldal

237

EAN

9781849966856

ISBN

1849966850

Enbook ID

01434595

Kiadó

Springer London Ltd

Súly

391

Méretek

155 x 235 x 14

Teljes leírás

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.