Computational Materials Science : From Ab Initio to Monte Carlo Methods

Kawazoe, Yoshiyuki, Esfarjani, Keivan, Ohno, Kaoru

ISBN 10: 3540639616 / ISBN 13: 9783540639619

Verlag: Springer, 1999

Beschreibung

Former library book; may include library markings. Used book that is in clean, average condition without any missing pages. Bestandsnummer des Verkäufers 40243679-75

Bibliografische Details

Titel: Computational Materials Science : From Ab ...

Verlag: Springer

Erscheinungsdatum: 1999

Einband: Hardcover

Zustand: Good

Auflage: 1st Edition.

Über diesen Titel

Inhaltsangabe:

Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.

Von der hinteren Coverseite:

This book introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations that enable the physical and chemical properties to be revealed by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Readers can gain sufficient knowledge to begin theoretical studies in modern materials research.