Multiscale Modeling: From Atoms to Devices
Editat de Pedro Derosa, Tahir Caginen Limba Engleză Paperback – 12 sep 2017
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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Specificații
ISBN-13: 9781138118249
ISBN-10: 1138118249
Pagini: 310
Ilustrații: 186
Dimensiuni: 156 x 234 mm
Greutate: 0.45 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press
ISBN-10: 1138118249
Pagini: 310
Ilustrații: 186
Dimensiuni: 156 x 234 mm
Greutate: 0.45 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press
Cuprins
Atomic to Mesoscopic. Mass Transport. Electron transport in molecules and polymers. Mesoscopic to Continuum. Mechanical Properties. Atomic to Continuum. Electron transport.
Notă biografică
Pedro Derosa is affiliated with Louisiana Tech University and Grambling State University in Ruston, Louisiana.
Descriere
Observed at the macro- or microscopic scale, many properties of materials and devices are being produced or controlled by processes at the nanoscopic scale. Therefore, multiscale modeling is necessary for the design of novel materials and devices. In this book, active international researchers describe approaches, applications, design, and results of different techniques across scales. The text emphasizes models that explicitly include the atomic scale, rather than including this scale via empirical parameters. Predictive and design capabilities of models are also explored, and the book includes applications involving electron and mass transport.