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Books > Science & Mathematics > Physics > States of matter > Condensed matter physics (liquids & solids)
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Multiscale Modeling - From Atoms to Devices (Paperback)
Loot Price: R2,422
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Multiscale Modeling - From Atoms to Devices (Paperback)
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While the relevant features and properties of nanosystems
necessarily depend on nanoscopic details, their performance resides
in the macroscopic world. To rationally develop and accurately
predict performance of these systems we must tackle problems where
multiple length and time scales are coupled. Rather than forcing a
single modeling approach to predict an event it was not designed
for, a new paradigm must be employed: multiscale modeling. A
brilliant solution to a pervasive problem, Multiscale Modeling:
From Atoms to Devices offers a number of approaches for which more
than one scale is explicitly considered. It provides several
alternatives, from coarse-graining sampling of the atomic and
mesoscale to Monte Carlo- and thermodynamic-based models that allow
sampling of increasingly large scales up to multiscale models able
to describe entire devices. Beginning with common techniques for
coarse-graining, the book discusses their theoretical background,
advantages, and limitations. It examines the application-dependent
parameterization characteristics of coarse-graining along with the
"finer-trains-coarser" multiscale approach and describes three
carefully selected examples in which the parameterization, although
based on the same principles, depends on the actual application.
The book considers the use of ab initio and density functional
theory to obtain parameters needed for larger scale models, the
alternative use of density functional theory parameters in a Monte
Carlo method, and the use of ab initio and density functional
theory as the atomistic technique underlying the calculation of
thermodynamics properties of alloy phase stability. Highlighting
one of the most challenging tasks for multiscale modelers,
Multiscale Modeling: From Atoms to Devices also presents modeling
for nanocomposite materials using the embedded fiber finite element
method (EFFEM). It emphasizes an ensemble Monte Carlo method to
high field-charge transport problems and demonstrates the practical
application of modern many-body quantum theories. The author
maintains a website with additional information.
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