Application of upscaling methods for fluid flow and mass transport in multi-scale heterogeneous media : A critical review

Physical and biogeochemical heterogeneity dramatically impacts fluid flow and reactive solute transport behaviors in geological formations across scales. From micro pores to regional reservoirs, upscaling has been proven to be a valid approach to estimate large-scale parameters by using data measured at small scales. Upscaling has considerable practical importance in oil and gas production, energy storage, carbon geologic sequestration, contamination remediation, and nuclear waste disposal. This review covers, in a comprehensive manner, the upscaling approaches available in the literature and their applications on various processes, such as advection, dispersion, matrix diffusion, sorption, and chemical reactions. We enclose newly developed approaches and distinguish two main categories of upscaling methodologies, deterministic and stochastic. Volume averaging, one of the deterministic methods, has the advantage of upscaling different kinds of parameters and wide applications by requiring only a few assumptions with improved formulations. Stochastic analytical methods have been extensively developed but have limited impacts in practice due to their requirement for global statistical assumptions. With rapid improvements in computing power, numerical solutions have become more popular for upscaling. In order to tackle complex fluid flow and transport problems, the working principles and limitations of these methods are emphasized. Still, a large gap exists between the approach algorithms and real-world applications. To bridge the gap, an integrated upscaling framework is needed to incorporate in the current upscaling algorithms, uncertainty quantification techniques, data sciences, and artificial intelligence to acquire laboratory and field-scale measurements and validate the upscaled models and parameters with multi-scale observations in future geo-energy research.© 2021 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)This work was jointly supported by the National Key Research and Development Program of China (No. 2018YFC1800900 ), National Natural Science Foundation of China (No: 41972249 , 41772253 , 51774136 ), the Program for Jilin University (JLU) Science and Technology Innovative Research Team (No. 2019TD-35 ), Graduate Innovation Fund of Jilin University (No: 101832020CX240 ), Natural Science Foundation of Hebei Province of China ( D2017508099 ), and the Program of Education Department of Hebei Province ( QN219320 ). Additional funding was provided by the Engineering Research Center of Geothermal Resources Development Technology and Equipment , Ministry of Education, China.fi=vertaisarvioitu|en=peerReviewed

Lp{L^p}-variations for multifractal fractional random walks

A multifractal random walk (MRW) is defined by a Brownian motion subordinated by a class of continuous multifractal random measures $M[0,t], 0\le t\le1$. In this paper we obtain an extension of this process, referred to as multifractal fractional random walk (MFRW), by considering the limit in distribution of a sequence of conditionally Gaussian processes. These conditional processes are defined as integrals with respect to fractional Brownian motion and convergence is seen to hold under certain conditions relating the self-similarity (Hurst) exponent of the fBm to the parameters defining the multifractal random measure $M$. As a result, a larger class of models is obtained, whose fine scale (scaling) structure is then analyzed in terms of the empirical structure functions. Implications for the analysis and inference of multifractal exponents from data, namely, confidence intervals, are also provided.Comment: Published in at http://dx.doi.org/10.1214/07-AAP483 the Annals of Applied Probability (http://www.imstat.org/aap/) by the Institute of Mathematical Statistics (http://www.imstat.org

Objective comparison of methods to decode anomalous diffusion

Deviations from Brownian motion leading to anomalous diffusion are found in transport dynamics from quantum physics to life sciences. The characterization of anomalous diffusion from the measurement of an individual trajectory is a challenging task, which traditionally relies on calculating the trajectory mean squared displacement. However, this approach breaks down for cases of practical interest, e.g., short or noisy trajectories, heterogeneous behaviour, or non-ergodic processes. Recently, several new approaches have been proposed, mostly building on the ongoing machine-learning revolution. To perform an objective comparison of methods, we gathered the community and organized an open competition, the Anomalous Diffusion challenge (AnDi). Participating teams applied their algorithms to a commonly-defined dataset including diverse conditions. Although no single method performed best across all scenarios, machine-learning-based approaches achieved superior performance for all tasks. The discussion of the challenge results provides practical advice for users and a benchmark for developers. Deviations from Brownian motion leading to anomalous diffusion are ubiquitously found in transport dynamics but often difficult to characterize. Here the authors compare approaches for single trajectory analysis through an open competition, showing that machine learning methods outperform classical approaches

Multifractal earth topography

International audienceThis paper shows how modern ideas of scaling can be used to model topography with various morphologies and also to accurately characterize topography over wide ranges of scales. Our argument is divided in two parts. We first survey the main topographic models and show that they are based on convolutions of basic structures (singularities) with noises. Focusing on models with large numbers of degrees of freedom (fractional Brownian motion (fBm), fractional Levy motion (fLm), multifractal fractionally integrated flux (FIF) model), we show that they are distinguished by the type of underlying noise. In addition, realistic models require anisotropic singularities; we show how to generalize the basic isotropic (self-similar) models to anisotropic ones. Using numerical simulations, we display the subtle interplay between statistics, singularity structure and resulting topographic morphology. We show how the existence of anisotropic singularities with highly variable statistics can lead to unwarranted conclusions about scale breaking. We then analyze topographic transects from four Digital Elevation Models (DEMs) which collectively span scales from planetary down to 50 cm (4 orders of magnitude larger than in previous studies) and contain more than 2×108 pixels (a hundred times more data than in previous studies). We use power spectra and multiscaling analysis tools to study the global properties of topography. We show that the isotropic scaling for moments of order =2 holds to within ±45% down to scales ˜40 m. We also show that the multifractal FIF is easily compatible with the data, while the monofractal fBm and fLm are not. We estimate the universal parameters (a, C1) characterizing the underlying FIF noise to be (1.79, 0.12), where a is the degree of multifractality (0=a=2, 0 means monofractal) and C1 is the degree of sparseness of the surface (0=C1, 0 means space filling). In the same way, we investigate the variation of multifractal parameters between continents, oceans and continental margins. Our analyses show that no significant variation is found for (a, C1) and that the third parameter H, which is a degree of smoothing (higher H means smoother), is variable: our estimates are H=0.46, 0.66, 0.77 for bathymetry, continents and continental margins. An application we developped here is to use (a, C1) values to correct standard spectra of DEMs for multifractal resolution effects

Untenable nonstationarity: An assessment of the fitness for purpose of trend tests in hydrology

The detection and attribution of long-term patterns in hydrological time series have been important research topics for decades. A significant portion of the literature regards such patterns as ‘deterministic components’ or ‘trends’ even though the complexity of hydrological systems does not allow easy deterministic explanations and attributions. Consequently, trend estimation techniques have been developed to make and justify statements about tendencies in the historical data, which are often used to predict future events. Testing trend hypothesis on observed time series is widespread in the hydro-meteorological literature mainly due to the interest in detecting consequences of human activities on the hydrological cycle. This analysis usually relies on the application of some null hypothesis significance tests (NHSTs) for slowly-varying and/or abrupt changes, such as Mann-Kendall, Pettitt, or similar, to summary statistics of hydrological time series (e.g., annual averages, maxima, minima, etc.). However, the reliability of this application has seldom been explored in detail. This paper discusses misuse, misinterpretation, and logical flaws of NHST for trends in the analysis of hydrological data from three different points of view: historic-logical, semantic-epistemological, and practical. Based on a review of NHST rationale, and basic statistical definitions of stationarity, nonstationarity, and ergodicity, we show that even if the empirical estimation of trends in hydrological time series is always feasible from a numerical point of view, it is uninformative and does not allow the inference of nonstationarity without assuming a priori additional information on the underlying stochastic process, according to deductive reasoning. This prevents the use of trend NHST outcomes to support nonstationary frequency analysis and modeling. We also show that the correlation structures characterizing hydrological time series might easily be underestimated, further compromising the attempt to draw conclusions about trends spanning the period of records. Moreover, even though adjusting procedures accounting for correlation have been developed, some of them are insufficient or are applied only to some tests, while some others are theoretically flawed but still widely applied. In particular, using 250 unimpacted stream flow time series across the conterminous United States (CONUS), we show that the test results can dramatically change if the sequences of annual values are reproduced starting from daily stream flow records, whose larger sizes enable a more reliable assessment of the correlation structures

The application of non-linear dynamics to teletraffic modelling.

PhDAbstract not availableEngineering and Physical Science Research Council (EPSRC) and NORTE

Predicting Flavonoid UGT Regioselectivity with Graphical Residue Models and Machine Learning.

Machine learning is applied to a challenging and biologically significant protein classification problem: the prediction of flavonoid UGT acceptor regioselectivity from primary protein sequence. Novel indices characterizing graphical models of protein residues are introduced. The indices are compared with existing amino acid indices and found to cluster residues appropriately. A variety of models employing the indices are then investigated by examining their performance when analyzed using nearest neighbor, support vector machine, and Bayesian neural network classifiers. Improvements over nearest neighbor classifications relying on standard alignment similarity scores are reported

Glassiness and coupling of time scales in functional proteins /

Folded proteins are functional at relatively elevated temperatures. Below ca. 190-220 K, proteins may still display the same average structure, but lack function due to the absence of large size fluctuations that increase nonlinearly with temperature. In this state, proteins are similar to polymers displaying glassy behavior, with their disordered, amorphous character and heterogeneous dynamics. We provide evidence that the onset of the relevant fluctuations at physiological temperatures occurs with the residue-wise alteration of the slow- nanosecond time scale- motions due to the activity along the envelope of the energy surface defining the folded protein, and the fast -pico second time scale- motions of the activity along the pockets decorating the folded- state envelope. We investigate this time window with spectral analysis methods to map all the relevant modes of fluctuations. Moreover, the temperature dependence of molecular motions are treated within the context of Fractional Brownian Dynamics. The analysis is based on data describing the relaxation phenomena governing the backbone dynamics derived from molecular dynamics simulations of three proteins in the temperature region 140-330K. The shifts in the weights of fundamental dynamical processes are displayed. Implications on controllability of function are discussed