000			04795cam a2200577 a 4500
001			on1144803762
003			OCoLC
005			20230516165843.0
006			m o d
007			cr |n|||||||||
008			200317s2020 enka ob 001 0 eng d
040			_aYDX _beng _epn _cYDX _dOPELS _dUKAHL _dOCLCF _dUKMGB _dEBLCP _dMYG _dOCLCO _dOCLCQ _dOCLCO _dK6U _dOCLCQ
015			_aGBC031043 _2bnb
016	7		_a019726155 _2Uk
019			_a1145546335
020			_a9780081029428 _q(electronic bk.)
020			_a008102942X _q(electronic bk.)
020			_z9780081029411
020			_z0081029411
035			_a(OCoLC)1144803762 _z(OCoLC)1145546335
050		4	_aTA404.23 _bU53 2020
082	0	4	_a620.1/1 _223
245	0	0	_aUncertainty quantification in multiscale materials modeling / _cedited by Yan Wang and David L. McDowell.
264		1	_aCambridge : _bWoodhead Publishing, _c2020
264		4	_c�2020
300			_a1 online resource (xviii, 586 pages) : _billustrations
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
490	1		_aElsevier series in mechanics of advanced materials
504			_aIncludes bibliographical references and index.
505	0		_aFront 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		_a1.2.1 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		_a1.3.9 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		_a2.3.1 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	_aMaterials _xMathematical models. _93268
650		0	_aUncertainty (Information theory) _98835
650		0	_aMultiscale modeling. _93979
650		6	_aMat�eriaux _0(CaQQLa)201-0025866 _xMod�eles math�ematiques. _0(CaQQLa)201-0379082 _968623
650		6	_aIncertitude (Th�eorie de l'information) _0(CaQQLa)201-0003328 _968624
650		6	_aAnalyse multi�echelle. _0(CaQQLa)000265314 _968625
650		7	_aMaterials _xMathematical models. _2fast _0(OCoLC)fst01011852 _93268
650		7	_aMultiscale modeling. _2fast _0(OCoLC)fst01763130 _93979
650		7	_aUncertainty (Information theory) _2fast _0(OCoLC)fst01160838 _98835
700	1		_aWang, Yan, _eeditor. _968626
700	1		_aMcDowell, David L., _d1956- _eeditor. _968627
776	0	8	_iPrint version: _tUncertainty quantification in multiscale materials modeling. _dCambridge : Woodhead Publishing, 2020 _z0081029411 _z9780081029411 _w(OCoLC)1119640371
830		0	_aElsevier series in mechanics of advanced materials. _968628
856	4	0	_3ScienceDirect _uhttps://www.sciencedirect.com/science/book/9780081029411
942			_cEBK
999			_c82413 _d82413