Interatomic potential structural stability von terakura akai (13 Ergebnisse)

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Trade Paperback. Zustand: Very Good. Assumed First Edition. 223 Pages. Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volume contains very recent results of "going beyond LDA", such as the density gradient expansion and the quantum Monte-Carlo method. Following the recently introduced theoretical methods for the calculation of interatomic potentials, forces acting on atoms and total energies such as the Car-Parrinello, the effective-medium and the bond-order method, attempts have been made to develop even more sophisticated methods such as the order-N method in electronic-structure calculations. The present status of these methods and their application to real systems are described. In addition, in order to study the phase stability at finite temperatures, the microscopic calculations have to be combined with statistical treatment of the systems to describe, e.g. order-disorder transitions on the Si(001) surface or alloy phase diagrams. This book contains examples for this type of calculations.…

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Structural stability is of fundamental importance inmaterials science. Up-to-date information on the theoreticalaspects of phase stability of materials is contained in thisvolume. Most of the first-principles calculations are basedon the local-density approximation (LDA). In contrast, thisvolume contains very recent results of 'going beyond LDA',such as the density gradient expansion and the quantumMonte-Carlomethod.Following the recently introduced theoretical methods forthe calculation of interatomic potentials, forces acting onatoms and total energies such as the Car-Parrinello, theeffective-medium and the bond-ordermethod, attempts havebeen made to develop even more sophisticated methods such asthe order-N method in electronic-structure calculations. Thepresent status of these methods and their application toreal systems are described.In addition, in order to study the phase stability atfinitetemperatures, the microscopic calculations have to becombined with statistical treatment of the systems todescribe, e.g. order-disorder transitions on the Si(001)surface or alloy phase diagrams. This book contains examplesfor this type of calculations.…

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Taschenbuch. Zustand: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Structural stability is of fundamental importance inmaterials science. Up-to-date information on the theoreticalaspects of phase stability of materials is contained in thisvolume. Most of the first-principles calculations are basedon the local-density approximation (LDA). In contrast, thisvolume contains very recent results of 'going beyond LDA',such as the density gradient expansion and the quantumMonte-Carlomethod.Following the recently introduced theoretical methods forthe calculation of interatomic potentials, forces acting onatoms and total energies such as the Car-Parrinello, theeffective-medium and the bond-ordermethod, attempts havebeen made to develop even more sophisticated methods such asthe order-N method in electronic-structure calculations. Thepresent status of these methods and their application toreal systems are described.In addition, in order to study the phase stability atfinitetemperatures, the microscopic calculations have to becombined with statistical treatment of the systems todescribe, e.g. order-disorder transitions on the Si(001)surface or alloy phase diagrams. This book contains examplesfor this type of calculations. 240 pp. Englisch.…

Zustand: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Structural stability is of fundamental importance inmaterials science. Up-to-date information on the theoreticalaspects of phase stability of materials is contained in thisvolume. Most of the first-principles calculations are basedon the loc.…

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Taschenbuch. Zustand: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Structural stability and phase stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects in this context can be obtained from this book. Emphasis is placed on the description of applications to systems of actual interest.Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 240 pp. Englisch.…