Computational Studies of New Materials

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World Scientific, 1999 - Technology & Engineering - 455 pages
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This important book is a collection of articles discussing computational studies of new materials. It is intended not only for workers in computational materials science, but also for people with a broader interest in the materials being discussed. The emphasis, therefor; , is on the materials, and not primarily on the development of new computational tools. The specific topics covered are: nanostructures on surfaces; adsorbates on surfaces; clusters and crystals; fullerene-based materials; fractal and amorphous systems; and organic conductors.
 

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Contents

MolecularDynamics Studies of Defects and Impurities in Bulk
27
TightBinding Molecular Dynamics Study of Structures and Dynamics
74
Computations of Higher Fullerenes
112
Relaxations of Charge Transfer and Photoexcitation in Ceo and Polymers
157
Polymer Electrolytes
174
Computational Approaches in Optics of Fractal Clusters
210
Local Fields Localization and Chaos and NonlinearOptical
244
Atomic Valences in Aperiodic Crystals Studies by the Bond Valence Method
273
Surface LightInduced Drift
295
Theoretical Treatment of Surface Adsorbates
334
Phase Conjugation Through FourWave Mixing
351
Electromagnetic Propagators in Micro and Mesoscopic Optics
375
Conceptual and Computational Challenges
440
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About the author (1999)

Jelski is from SUNY, Fredonia.

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