Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys: 8 (Oxford Series on Materials Modelling) - Tapa dura

Moriarty, Dr John A.

 
9780198822172: Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys: 8 (Oxford Series on Materials Modelling)
Tapa dura
ISBN 10: 0198822170 ISBN 13: 9780198822172
Editorial: OUP Oxford, 2023

Sinopsis

Atomistic computer simulations are often at the heart of modern attempts to predict and understand the physical properties of real materials, including the vast domain of metals and alloys. Historically, highly simplified empirical potentials have been used to provide the interatomic forces needed to perform such simulations, but true predictive power in these materials emanates from fundamental quantum mechanics.

In metals and alloys especially, a viable path forward to the vastly larger length and time scales offered by empirical potentials, while retaining the predictive power of quantum mechanics, is to course-grain the underlying electronic structure of the material and systematically derive quantum-based interatomic potentials from first-principles. This book spans the entire process from foundation in fundamental theory, to the development of accurate quantum-based potentials for real materials, to the wide-spread application of the potentials to the atomistic simulation of structural, thermodynamic, defect and mechanical properties of metals and alloys.

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Acerca del autor

John A. Moriarty is a theoretical condensed-matter and materials physicist. He received his undergraduate training in Physics at the University of California, Berkeley, and received a Ph.D in Applied Physics at Stanford University. John joined Lawrence Livermore National Laboratory (LLNL) as a staff physicist in 1982. At LLNL, he was a Materials Program Leader from 1990 to 2007, the Leader of the Metals and Alloys Group from 1996 to 2006, and a Senior Scientist from 2006 until his retirement in 2014. John was elected as a fellow of the American Physical Society in 2005, and he was elected as a Distinguished Member of the Technical Staff at LLNL in 2013.


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Editorial
OUP Oxford
Año de publicación
2023
Idioma
Inglés
ISBN 10 
0198822170
ISBN 13 
9780198822172
Encuadernación
Tapa dura
Número de edición
1
Número de páginas
592
Contacto del fabricante
no disponible
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