Mesoscopic and multiscale modelling in materials

J Fish, GJ Wagner, S Keten - Nature materials, 2021 - nature.com
The concept of multiscale modelling has emerged over the last few decades to describe
procedures that seek to simulate continuum-scale behaviour using information gleaned from …

Global sensitivity analysis using polynomial chaos expansions

B Sudret - Reliability engineering & system safety, 2008 - Elsevier
Global sensitivity analysis (SA) aims at quantifying the respective effects of input random
variables (or combinations thereof) onto the variance of the response of a physical or …

Uncertainty quantification and polynomial chaos techniques in computational fluid dynamics

HN Najm - Annual review of fluid mechanics, 2009 - annualreviews.org
The quantification of uncertainty in computational fluid dynamics (CFD) predictions is both a
significant challenge and an important goal. Probabilistic uncertainty quantification (UQ) …

Polynomial chaos expansion for sensitivity analysis

T Crestaux, O Le Maıtre, JM Martinez - Reliability Engineering & System …, 2009 - Elsevier
In this paper, the computation of Sobol's sensitivity indices from the polynomial chaos
expansion of a model output involving uncertain inputs is investigated. It is shown that when …

[HTML][HTML] Optimized chemical mechanism for combustion of gasoline surrogate fuels

L Cai, H Pitsch - Combustion and flame, 2015 - Elsevier
Since real petroleum fuels are composed of a huge variety of hydrocarbon components,
surrogate mixtures of various hydrocarbon fuels are typically employed in computational …

Simulation-based optimal Bayesian experimental design for nonlinear systems

X Huan, YM Marzouk - Journal of Computational Physics, 2013 - Elsevier
The optimal selection of experimental conditions is essential to maximizing the value of data
for inference and prediction, particularly in situations where experiments are time …

Studies of aromatic hydrocarbon formation mechanisms in flames: Progress towards closing the fuel gap

CS McEnally, LD Pfefferle, B Atakan… - Progress in Energy and …, 2006 - Elsevier
Two critical steps towards soot production in combustors are the decomposition of the fuel
and the subsequent formation of aromatic hydrocarbons with one to three benzenoid rings …

Combustion kinetic model uncertainty quantification, propagation and minimization

H Wang, DA Sheen - Progress in Energy and Combustion Science, 2015 - Elsevier
The current interest in the combustion chemistry of hydrocarbon fuels, including the various
alcohol and biodiesel compounds, motivates this review of the methods and application of …

Numerical challenges in the use of polynomial chaos representations for stochastic processes

BJ Debusschere, HN Najm, PP Pébay, OM Knio… - SIAM journal on scientific …, 2004 - SIAM
This paper gives an overview of the use of polynomial chaos (PC) expansions to represent
stochastic processes in numerical simulations. Several methods are presented for …

Stochastic spectral methods for efficient Bayesian solution of inverse problems

YM Marzouk, HN Najm, LA Rahn - Journal of Computational Physics, 2007 - Elsevier
We present a reformulation of the Bayesian approach to inverse problems, that seeks to
accelerate Bayesian inference by using polynomial chaos (PC) expansions to represent …