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Uncertainty quantification in multiscale materials modeling /

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Wang, Yan (Editor ), McDowell, David L., 1956- (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cambridge : Woodhead Publishing, 2020
Colección:Elsevier series in mechanics of advanced materials.
Temas:
Acceso en línea:Texto completo

MARC

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245 0 0 |a Uncertainty quantification in multiscale materials modeling /  |c edited by Yan Wang and David L. McDowell. 
264 1 |a Cambridge :  |b Woodhead Publishing,  |c 2020 
264 4 |c �2020 
300 |a 1 online resource (xviii, 586 pages) :  |b illustrations 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
490 1 |a Elsevier series in mechanics of advanced materials 
504 |a Includes bibliographical references and index. 
505 0 |a Front Cover -- Uncertainty Quantification in Multiscale Materials Modeling -- Mechanics of Advanced Materials Series -- Series editor-in-chief: Vadim V. Silberschmidt -- Series editor: Thomas B�ohlke -- Series editor: David L. McDowell -- Series editor: Zhong Chen -- Uncertainty Quantification in Multiscale Materials Modeling -- Copyright -- Contents -- Contributors -- About the Series editors -- Editor-in-Chief -- Series editors -- Preface -- 1 -- Uncertainty quantification in materials modeling -- 1.1 Materials design and modeling -- 1.2 Sources of uncertainty in multiscale materials modeling 
505 8 |a 1.2.1 Sources of epistemic uncertainty in modeling and simulation -- 1.2.2 Sources of model form and parameter uncertainties in multiscale models -- 1.2.2.1 Models at different length and time scales -- 1.2.3 Linking models across scales -- 1.3 Uncertainty quantification methods -- 1.3.1 Monte Carlo simulation -- 1.3.2 Global sensitivity analysis -- 1.3.3 Surrogate modeling -- 1.3.4 Gaussian process regression -- 1.3.5 Bayesian model calibration and validation -- 1.3.6 Polynomial chaos expansion -- 1.3.7 Stochastic collocation and sparse grid -- 1.3.8 Local sensitivity analysis with perturbation 
505 8 |a 1.3.9 Polynomial chaos for stochastic Galerkin -- 1.3.10 Nonprobabilistic approaches -- 1.4 UQ in materials modeling -- 1.4.1 UQ for ab initio and DFT calculations -- 1.4.2 UQ for MD simulation -- 1.4.3 UQ for meso- and macroscale materials modeling -- 1.4.4 UQ for multiscale modeling -- 1.4.5 UQ in materials design -- 1.5 Concluding remarks -- Acknowledgments -- References -- 2 -- The uncertainty pyramid for electronic-structure methods -- 2.1 Introduction -- 2.2 Density-functional theory -- 2.2.1 The Kohn-Sham formalism -- 2.2.2 Computational recipes -- 2.3 The DFT uncertainty pyramid 
505 8 |a 2.3.1 Numerical errors -- 2.3.2 Level-of-theory errors -- 2.3.3 Representation errors -- 2.4 DFT uncertainty quantification -- 2.4.1 Regression analysis -- 2.4.2 Representative error measures -- 2.5 Two case studies -- 2.5.1 Case 1: DFT precision for elemental equations of state -- 2.5.2 Case 2: DFT precision and accuracy for the ductility of a W-Re alloy -- 2.6 Discussion and conclusion -- Acknowledgment -- References -- 3 -- Bayesian error estimation in density functional theory -- 3.1 Introduction -- 3.2 Construction of the functional ensemble -- 3.3 Selected applications -- 3.4 Conclusion 
650 0 |a Materials  |x Mathematical models. 
650 0 |a Uncertainty (Information theory) 
650 0 |a Multiscale modeling. 
650 6 |a Mat�eriaux  |0 (CaQQLa)201-0025866  |x Mod�eles math�ematiques.  |0 (CaQQLa)201-0379082 
650 6 |a Incertitude (Th�eorie de l'information)  |0 (CaQQLa)201-0003328 
650 6 |a Analyse multi�echelle.  |0 (CaQQLa)000265314 
650 7 |a Materials  |x Mathematical models  |2 fast  |0 (OCoLC)fst01011852 
650 7 |a Multiscale modeling  |2 fast  |0 (OCoLC)fst01763130 
650 7 |a Uncertainty (Information theory)  |2 fast  |0 (OCoLC)fst01160838 
700 1 |a Wang, Yan,  |e editor. 
700 1 |a McDowell, David L.,  |d 1956-  |e editor. 
776 0 8 |i Print version:  |t Uncertainty quantification in multiscale materials modeling.  |d Cambridge : Woodhead Publishing, 2020  |z 0081029411  |z 9780081029411  |w (OCoLC)1119640371 
830 0 |a Elsevier series in mechanics of advanced materials. 
856 4 0 |u https://sciencedirect.uam.elogim.com/science/book/9780081029411  |z Texto completo