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Spatially adaptive stochastic methods for fluid–structure interactions subject to thermal fluctuations in domains with complex geometries

We develop stochastic mixed finite element methods for spatially adaptive simulations of fluid–structure interactions when subject to thermal fluctuations. To account for thermal fluctuations, we introduce a discrete fluctuation–dissipation balance condition to develop compatible stochastic driving fields for our discretization. We perform analysis that shows our condition is sufficient to ensure results consistent with statistical mechanics. We show the Gibbs–Boltzmann distribution is invariant under the stochastic dynamics of the semi-discretization. To generate efficiently the required stochastic driving fields, we develop a Gibbs sampler based on iterative methods and multigrid to generate fields with O(N) computational complexity. Our stochastic methods provide an alternative to uniform discretizations on periodic domains that rely on Fast Fourier Transforms. To demonstrate in practice our stochastic computational methods, we investigate within channel geometries having internal obstacles and no-slip walls how the mobility/diffusivity of particles depends on location. Our methods extend the applicability of fluctuating hydrodynamic approaches by allowing for spatially adaptive resolution of the mechanics and for domains that have complex geometries relevant in many applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A stochastic method for computing hadronic matrix elements

In this study, we present a stochastic method for the calculation of baryon 3-point functions which is an alternative to the typically used sequential method offering more versatility. We analyze the scaling of the error of the stochastically evaluated 3-point function with the lattice volume and find a favorable signal to noise ratio suggesting that the stochastic method can be extended to large volumes providing an efficient approach to compute hadronic matrix elements and form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Stochastic Methods Applied to Power System Operations with Renewable Energy: A Review

Renewable energy resources have been rapidly integrated into power systems in many parts of the world, contributing to a cleaner and more sustainable supply of electricity. Wind and solar resources also introduce new challenges for system operations and planning in terms of economics and reliability because of their variability and uncertainty. Operational strategies based on stochastic optimization have been developed recently to address these challenges. In general terms, these stochastic strategies either embed uncertainties into the scheduling formulations (e.g., the unit commitment [UC] problem) in probabilistic forms or develop more appropriate operating reserve strategies to take advantage of advanced forecasting techniques. Other approaches to address uncertainty are also proposed, where operational feasibility is ensured within an uncertainty set of forecasting intervals. In this report, a comprehensive review is conducted to present the state of the art through Spring 2015 in the area of stochastic methods applied to power system operations with high penetration of renewable energy. Chapters 1 and 2 give a brief introduction and overview of power system and electricity market operations, as well as the impact of renewable energy and how this impact is typically considered in modeling tools. Chapter 3 reviews relevant literature on operating reserves and specifically probabilistic methods to estimate the need for system reserve requirements. Chapter 4 looks at stochastic programming formulations of the UC and economic dispatch (ED) problems, highlighting benefits reported in the literature as well as recent industry developments. Chapter 5 briefly introduces alternative formulations of UC under uncertainty, such as robust, chance-constrained, and interval programming. Finally, in Chapter 6, we conclude with the main observations from our review and important directions for future work.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Preparation of nuclear libraries with deterministic and stochastic methods for LWR reflectors

The explicit reflector methodology is used in the system of codes CASMO-5 / SIMULATE-3 to include the reflector around the active core into the computational region and avoid adopting any ad-hoc or experimental albedo coefficients as boundary conditions. However, to complete the core calculation, a set of cross sections and discontinuity factors is needed for the reflector nodes and the accuracy of these nuclear parameters influences the final results, in particular along the peripheral regions of the core. In this paper the explicit reflector methodology of CASMO-5 is adopted to evaluate the few-group cross sections and discontinuity factors of the different reflector cases, based on the design of Generation II and III LWR reactors. In addition, in the perspective of using Monte-Carlo codes as a complementary option for lattice calculations of reflector configurations, the stochastic SERPENT code is also included as part of this benchmark. With the latter, the impact of applying 2-D reflector models with homogenized materials instead of explicit representation of the real geometrical structures is moreover evaluated and shown to be limited. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Comparison of deterministic and stochastic methods for time-dependent Wigner simulations

Recently a Monte Carlo method based on signed particles for time-dependent simulations of the Wigner equation has been proposed. While it has been thoroughly validated against physical benchmarks, no technical study about its numerical accuracy has been performed. To this end, this paper presents the first step towards the construction of firm mathematical foundations for the signed particle Wigner Monte Carlo method. An initial investigation is performed by means of comparisons with a cell average spectral element method, which is a highly accurate deterministic method and utilized to provide reference solutions. Several different numerical tests involving the time-dependent evolution of a quantum wave-packet are performed and discussed in deep details. In particular, this allows us to depict a set of crucial criteria for the signed particle Wigner Monte Carlo method to achieve a satisfactory accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Novel stochastic methods to predict short-term solar radiation and photovoltaic power

Solar forecasting has evolved towards becoming a key component of economical realization of high penetration levels of photovoltaic (PV) systems. This paper presents two novel stochastic forecasting models for solar PV by utilizing historical measurement data to outline a short-term high-resolution probabilistic behavior of solar. First, an uncertain basis functions method is used to forecast both solar radiation and PV power. Three possible distributions are considered for the uncertain basis functions - Gaussian, Laplace, and Uniform distributions. Second, stochastic state-space models are applied to characterize the behaviors of solar radiation and PV power output. A filter-based expectation-maximization and Kalman filtering mechanism is employed to recursively estimate the system parameters and state variables. This enables the system to accurately forecast small as well as large fluctuations of the solar signals. The introduced forecasting models are suitable for real-time tertiary dispatch controllers and optimal power controllers. The PV forecasting models are tested using solar radiation and PV power measurement data collected from a 13.5 kW PV panel installed on the rooftop of our laboratory. Furthermore, the results are compared with standard time series forecasting mechanisms and show a substantial improvement in the forecasting accuracy of the total energy produced.

14 SOLAR ENERGY↗

Stochastic Methods for Planning and Operating Power Systems with Large Amounts of Wind and Solar Power: Preprint

Wind and solar generators differ in their generation characteristics than conventional generators. The variable output and imperfect predictability of these generators face a stochastic approach to plan and operate the power system without fundamentally changing the operation and planning problems. This paper overviews stochastic modeling challenges in operations, generation planning, andtransmission planning, with references to current industry and academic work. Different stochastic problem formulations, including approximations, are also discussed.

17 WIND ENERGY↗

MODELING FOCUSED ACCELERATION OF COSMIC-RAY PARTICLES BY STOCHASTIC METHODS

Schlickeiser and Shalchi suggested that a first-order Fermi mechanism of focused particle acceleration could be important in several astrophysical applications. In order to investigate focused acceleration, we express the Fokker-Planck equation as an equivalent system of stochastic differential equations. We simplify the system for a set of physically motivated parameters, extend the analytical theory, and determine the evolving particle distribution numerically. While our numerical results agree with the focused acceleration rate of Schlickeiser and Shalchi for a weakly anisotropic particle distribution, we establish significant limitations of the analytical approach. Momentum diffusion is found to be more significant than focused acceleration at early times. Most critically, the particle distribution rapidly becomes anisotropic, leading to a much slower momentum gain rate. We discuss the consequences of our results for the role of focused acceleration in astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗

Systematic Evaluation of Stochastic Methods in Power System Scheduling and Dispatch with Renewable Energy

As more wind power and other renewable resources are being integrated into the electric power grid, the forecast uncertainty brings operational challenges for the power system operators. In this report, different operational strategies for uncertainty management are presented and evaluated. A comprehensive and consistent simulation framework is developed to analyze the performance of different reserve policies and scheduling techniques under uncertainty in wind power. Numerical simulations are conducted on a modified version of the IEEE 118-bus system with a 20% wind penetration level, comparing deterministic, interval, and stochastic unit commitment strategies. The results show that stochastic unit commitment provides a reliable schedule without large increases in operational costs. Moreover, decomposition techniques, such as load shift factor and Benders decomposition, can help in overcoming the computational obstacles to stochastic unit commitment and enable the use of a larger scenario set to represent forecast uncertainty. In contrast, deterministic and interval unit commitment tend to give higher system costs as more reserves are being scheduled to address forecast uncertainty. However, these approaches require a much lower computational effort Choosing a proper lower bound for the forecast uncertainty is important for balancing reliability and system operational cost in deterministic and interval unit commitment. Finally, we find that the introduction of zonal reserve requirements improves reliability, but at the expense of higher operational costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Stochastic methods for aerosol chemistry: a compact molecular description of functionalization and fragmentation in the heterogeneous oxidation of squalane aerosol by OH radicals

The heterogeneous oxidation of organic aerosol by hydroxyl radicals (OH) can proceed through two general pathways: functionalization, in which oxygen functional groups are added to the carbon skeleton, and fragmentation, in which carbon–carbon bonds are broken, producing higher volatility, lower molecular weight products. An ongoing challenge is to develop a quantitative molecular description of these pathways that connects the oxidative evolution of the average aerosol properties (e.g. size and hygroscopicity) to the transformation of free radical intermediates. In order to investigate the underlying molecular mechanism of aerosol oxidation, a relatively compact kinetics model is developed for the heterogeneous oxidation of squalane particles by OH using free radical intermediates that convert reactive hydrogen sites into oxygen functional groups. Stochastic simulation techniques are used to compare calculated system properties over ten oxidation lifetimes with the same properties measured in experiment. The time-dependent average squalane aerosol mass, volume, density, carbon number distribution of scission products, and the average elemental composition are predicted using known rate coefficients. For functionalization, the calculations reveal that the distribution of alcohol and carbonyl groups is controlled primarily by the initial OH abstraction rate and to lesser extent by the branching ratio between secondary peroxy radical product channels. For fragmentation, the calculations reveal that the formation of activated alkoxy radicals with neighboring functional groups controls the molecular decomposition, particularly at high O/C ratios. Finally, this kinetic scheme provides a framework for understanding the oxidation chemistry of a model organic aerosol and informs parameterizations of more complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A meshless stochastic method for Poisson–Nernst–Planck equations

A plethora of biological, physical, and chemical phenomena involve transport of charged particles (ions). Its continuum-scale description relies on the Poisson–Nernst–Planck (PNP) system, which encapsulates the conservation of mass and charge. The numerical solution of these coupled partial differential equations is challenging and suffers from both the curse of dimensionality and difficulty in efficiently parallelizing. We present a novel particle-based framework to solve the full PNP system by simulating a drift–diffusion process with time- and space-varying drift. We leverage Green’s functions, kernel-independent fast multipole methods, and kernel density estimation to solve the PNP system in a meshless manner, capable of handling discontinuous initial states. The method is embarrassingly parallel, and the computational cost scales linearly with the number of particles and dimension. We use a series of numerical experiments to demonstrate both the method’s convergence with respect to the number of particles and computational cost vis-à-vis a traditional partial differential equation solver.

Chemistry↗

Monte Carlo solution for uncertainty propagation in particle transport with a stochastic Galerkin method

The stochastic Galerkin method (SGM) is an intrusive technique for propagating data uncertainty in physical models. The method reduces the random model to a system of coupled deterministic equations for the moments of stochastic spectral expansions of result quantities. We investigate solving these equations using the Monte Carlo technique. We compare the efficiency with brute-force Monte Carlo evaluation of uncertainty, the non-intrusive stochastic collocation method (SCM), and an intrusive Monte Carlo implementation of the stochastic collocation method. We also describe the stability limitations of our SGM implementation. (authors)

97 MATHEMATICS AND COMPUTING↗

Preservation of physical properties of stochastic Maxwell equations with additive noise via stochastic multi-symplectic methods

Stochastic Maxwell equations with additive noise are a system of stochastic Hamiltonian partial differential equations intrinsically, possessing the stochastic multi-symplectic conservation law. It is shown that the averaged energy increases linearly with respect to the evolution of time and the flow of stochastic Maxwell equations with additive noise preserves the divergence in the sense of expectation. Moreover, we propose three novel stochastic multi-symplectic methods to discretize stochastic Maxwell equations in order to investigate the preservation of these properties numerically. We make theoretical discussions and comparisons on all of the three methods to observe that all of them preserve the corresponding discrete version of the averaged divergence. Meanwhile, we obtain the corresponding dissipative property of the discrete averaged energy satisfied by each method. Especially, the evolution rates of the averaged energies for all of the three methods are derived which are in accordance with the continuous case. Numerical experiments are performed to verify our theoretical results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Adaptive Sampling-Based Bi-Fidelity Stochastic Trust Region Method for Stochastic Derivative-Free Optimization

Bi-fidelity stochastic optimization has gained increasing attention as an efficient approach to reduce computational costs by leveraging a low-fidelity (LF) model to optimize an expensive high-fidelity (HF) objective. In this paper, we propose ASTRO-BFDF, an adaptive sampling trust-region method specifically designed for unconstrained bi-fidelity stochastic derivative-free optimization problems. In ASTRO-BFDF, the LF function serves two purposes: (i) to identify better iterates for the HF function when the optimization process indicates a high correlation between them and (ii) to reduce the variance of the HF function estimates using bi-fidelity Monte Carlo (BFMC). The algorithm dynamically determines sample sizes while adaptively choosing between crude Monte Carlo and BFMC to balance the trade-off between optimization and sampling errors. We prove that the iterates generated by ASTRO-BFDF converge to a first-order stationary point almost surely. Additionally, we demonstrate the effectiveness of the proposed algorithm through numerical experiments on synthetic benchmarks and simulation optimization problems involving discrete event systems.

97 MATHEMATICS AND COMPUTING↗