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Frontiers in Materials Modelling and Design - Proceedings of the Conference on Frontiers in Materials Modelling and Design, Kalpakkam, 20-23 August 1996 (Paperback, Softcover reprint of the original 1st ed. 1998)
Loot Price: R3,009
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Frontiers in Materials Modelling and Design - Proceedings of the Conference on Frontiers in Materials Modelling and Design, Kalpakkam, 20-23 August 1996 (Paperback, Softcover reprint of the original 1st ed. 1998)
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It is about fifteen years since we started hearing about
Computational Ma terials Science and Materials Modelling and
Design. Fifteen years is a long time and all of us realise that the
use of computational methods in the design of materials has not
been rapid enough. We also know the reasons for this. Mate rials
properties are not dependent on a single phenomenon. The properties
of materials cover a wide range from electronic, thermal,
mechanical to chemical and electro-chemical. Each of these class of
properties depend on specific phe nomenon that takes place at
different scales or levels of length from sub atomic to visible
length levels. The energies controlling the phenomena also varies
widely from a fraction of an electron volt to many joules. The
complexity of materials are such that while models and methods for
treating individual phenomenon have been perfected, incorporating
them into a single programme taking into account the synergism is a
formidable task. Two specific areas where the progress has been
very rapid and substantive are prediction of phase stability and
phase diagrams and embrittlement of steels by metalloids. The first
three sections of the book contain papers which review the theoreti
cal principles underlying materials modeling and simulations and
show how they can be applied to the problems just mentioned. There
is now a strong interest in designing new materials starting from
nanoparticles and clusters."
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