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At least 595 records · Page 33

Probabilistic flux limiters

The stable numerical integration of shocks in compressible flow simulations relies on the reduction or elimination of Gibbs phenomena (unstable, spurious oscillations). A popular method to virtually eliminate Gibbs oscillations caused by numerical discretization in under-resolved simulations is to use a flux limiter. A wide range of flux limiters have been studied in the literature, with recent interest in their optimization via machine learning methods trained on high-resolution datasets. The common use of flux limiters in numerical codes as plug-and-play blackbox components makes them key targets for design improvement. Even for deterministic dynamical models, numerical uncertainty is introduced via coarse-graining required by insufficient computational power to solve all scales of motion. Conventional flux limiters are deterministic and lack the capacity to address uncertainties, both aleatoric (inherent randomness) and epistemic (modeling uncertainty due to limited knowledge), which arise in coarse-grained numerical simulations. Here, we introduce a conceptually distinct type of flux limiter that is designed to handle the effects of randomness in the model and uncertainty in model parameters. Unlike traditional single-function flux limiters, these new probabilistic flux limiters incorporate multiple flux limiting functions, each applied with a learned probability drawn from high-resolution data to mitigate the effects of uncertainty in numerical simulations. This approach departs from traditional single-function limiters by explicitly modeling and incorporating uncertainty into the shock capturing process. Using the example of Burgers' equation as a testbed, we show that a machine learned, probabilistic flux limiter may be used in a shock capturing code to more accurately capture shock profiles. In particular, we show that our probabilistic flux limiter outperforms standard limiters and can be successively improved upon (up to a point) by expanding the set of probabilistically chosen flux limiting functions.

97 MATHEMATICS AND COMPUTING↗

Wind shear measuring on board an airliner

A measurement technique which continuously determines the wind vector on board an airliner during takeoff and landing is introduced. Its implementation is intended to deliver sufficient statistical background concerning low frequency wind changes in the atmospheric boundary layer and extended knowledge about deterministic wind shear modeling. The wind measurement scheme is described and the adaptation of apparatus onboard an A300 airbus is shown. Preliminary measurements made during level flight demonstrate the validity of the method.

Krauspe, P.↗

Validation of a Deterministic Vibroacoustic Response Prediction Model

This report documents the recently completed effort involving validation of a deterministic theory for the random vibration problem of predicting the response of launch pad structures in the low-frequency range (0 to 50 hertz). Use of the Statistical Energy Analysis (SEA) methods is not suitable in this range. Measurements of launch-induced acoustic loads and subsequent structural response were made on a cantilever beam structure placed in close proximity (200 feet) to the launch pad. Innovative ways of characterizing random, nonstationary, non-Gaussian acoustics are used for the development of a structure's excitation model. Extremely good correlation was obtained between analytically computed responses and those measured on the cantilever beam. Additional tests are recommended to bound the problem to account for variations in launch trajectory and inclination.

Caimi, Raoul E.↗

3D full core BEAVRS using OpenMOC with transport equivalence

Using an optimized implementation of the three-dimension method of characteristics for neutron transport, as well as a novel equivalence method for transport calculations de- signed to recover self-shielding errors from neglecting the angular dependence of reso- nant group absorption, a 3D full core light water reactor hybrid stochastic-deterministic eigenvalue calculation was achieved. This paper presents the optimizations developed and compares the transport solutions obtained. It realizes a runtime near 6,000 CPU hours for the statepoint, an improvement of an order of magnitude on previous works, with less than 1% error on pin fission/U-238 capture ratios and a few dozen pcms on the eigenvalue.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Deterministic incident-wave elevation prediction in intermediate water depth

Potential performance gains from optimal (non-causal) impedance-matching control of wave energy devices in irregular ocean waves are dependent on deterministic wave elevation prediction techniques that work well in practical applications. Although a number of devices are designed for operation in intermediate water depths, little work has been reported on deterministic wave prediction in such depths. Here, we investigated a deterministic wave-prediction technique based on an approximate propagation model that leads to an analytical formulation, which may be convenient to implement in practice. To improve accuracy, an approach to combine predictions based on multiple up-wave measurement points is evaluated. The overall method is tested using experimental time-series measurements recorded in the U.S. Navy MASK basin in Carderock, MD, USA. For comparison, an alternative prediction approach based on Fourier coefficients is also tested with the same data. Comparison of prediction approaches with direct measurements suggest room for improvement. Possible sources of error including tank reflections are estimated, and potential mitigation approaches are discussed.

16 TIDAL AND WAVE POWER↗

Recent advances in computational structural reliability analysis methods

The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

Thacker, Ben H.↗

A large-scale benchmarking of deterministic and stochastic derivative-free optimization algorithms

This presentation summarizes our work in the PrOMMiS project on benchmarking of data-driven optimization algorithms and their applications in self-driving laboratories. This work supports the broader project goal of accelerating the identification of promising separation methods and operating conditions for critical minerals separation processes. We present a systematic benchmarking study of 42 data-driven optimization algorithms on a broad collection of 502 test problems. The results identify BAM, GLCCLUSTER, and MULTIMIN as the most effective optimization solvers, with BAM showing the highest overall performance and solving more than 80% of the benchmark problems. The study also shows that no single solver consistently outperforms the others across all problem types, indicating that our future laboratory applications may benefit from using a small set of strong solvers rather than relying on a single method. The presentation also illustrates an in-silico chemical reactor case study showing that data-driven optimization methods can guide autonomous experimentation in a self-driving laboratory and identify optimal operating conditions within a small number of experiments. Overall, the results provide a basis for selecting efficient optimization methods and demonstrate the practical use of data-driven optimization in self-driving laboratory workflows.

36 MATERIALS SCIENCE↗

Deterministic Reconfigurable Control Design for the X-33 Vehicle

In the event of a control surface failure, the purpose of a reconfigurable control system is to redistribute the control effort among the remaining working surfaces such that satisfactory stability and performance are retained. Four reconfigurable control design methods were investigated for the X-33 vehicle: Redistributed Pseudo-Inverse, General Constrained Optimization, Automated Failure Dependent Gain Schedule, and an Off-line Nonlinear General Constrained Optimization. The Off-line Nonlinear General Constrained Optimization approach was chosen for implementation on the X-33. Two example failures are shown, a right outboard elevon jam at 25 deg. at a Mach 3 entry condition, and a left rudder jam at 30 degrees. Note however, that reconfigurable control laws have been designed for the entire flight envelope. Comparisons between responses with the nominal controller and reconfigurable controllers show the benefits of reconfiguration. Single jam aerosurface failures were considered, and failure detection and identification is considered accomplished in the actuator controller. The X-33 flight control system will incorporate reconfigurable flight control in the baseline system.

Wagner, Elaine A.↗

Controlling distributed energy resources via deep reinforcement learning for load flexibility and energy efficiency

Behind-the-meter distributed energy resources (DERs), including building solar photovoltaic (PV) technology and electric battery storage, are increasingly being considered as solutions to support carbon reduction goals and increase grid reliability and resiliency. However, dynamic control of these resources in concert with traditional building loads, to effect efficiency and demand flexibility, is not yet commonplace in commercial control products. Traditional rule-based control algorithms do not offer integrated closed-loop control to optimize across systems, and most often, PV and battery systems are operated for energy arbitrage and demand charge management, and not for the provision of grid services. More advanced control approaches, such as MPC control have not been widely adopted in industry because they require significant expertise to develop and deploy. Recent advances in deep reinforcement learning (DRL) offer a promising option to optimize the operation of DER systems and building loads with reduced setup effort. However, there are limited studies that evaluate the efficacy of these methods to control multiple building subsystems simultaneously. Additionally, most of the research has been conducted in simulated environments as opposed to real buildings. This paper proposes a DRL approach that uses a deep deterministic policy gradient algorithm for integrated control of HVAC and electric battery storage systems in the presence of on-site PV generation. The DRL algorithm, trained on synthetic data, was deployed in a physical test building and evaluated against a baseline that uses the current best-in-class rule-based control strategies. Performance in delivering energy efficiency, load shift, and load shed was tested using price-based signals. The results showed that the DRL-based controller can produce cost savings of up to 39.6% as compared to the baseline controller, while maintaining similar thermal comfort in the building. The project team has also integrated the simulation components developed during this work as an OpenAIGym environment and made it publicly available so that prospective DRL researchers can leverage this environment to evaluate alternate DRL algorithms.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Three-Dimensional Full-Core BEAVRS Using OpenMOC with Transport Equivalence

Using an optimized implementation of the three-dimensional (3D) method of characteristics for neutron transport, along with a novel equivalence method for transport calculations that was designed to correct self-shielding errors from neglecting the angular dependence of resonant group absorption, a 3D full-core light water reactor hybrid stochastic-deterministic eigenvalue calculation was achieved. This paper presents the optimizations developed and compares the transport solutions obtained. For the statepoint, run times near 10 000 CPU hours are achieved—improving on previous works by an order of magnitude—with near 1% error on pin fission to 238 U capture ratios and a few dozen pcms on the eigenvalue.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Deterministic Linear Time for Maximal Poisson‐Disk Sampling using Chocks without Rejection or Approximation

Abstract We show how to sample uniformly within the three‐sided region bounded by a circle, a radial ray, and a tangent, called a “chock.” By dividing a 2D planar rectangle into a background grid, and subtracting Poisson disks from grid squares, we are able to represent the available region for samples exactly using triangles and chocks. Uniform random samples are generated from chock areas precisely without rejection sampling. This provides the first implemented algorithm for precise maximal Poisson‐disk sampling in deterministic linear time. We prove O(n · M(b) log b), where n is the number of samples, b is the bits of numerical precision and M is the cost of multiplication. Prior methods have higher time complexity, take expected time, are non‐maximal, and/or are not Poisson‐disk distributions in the most precise mathematical sense. We fill this theoretical lacuna.

Mitchell, Scott A.↗

BAM: bias assignment method to generate mock catalogues

Combining the statistics of dark matter tracers from a high-resolution cosmological N-body simulation and the dark matter density field calculated from down-sampled initial conditions using efficient structure formation solvers, we extract the halo-bias relation on a mesh of a 3$h^{-1}$ Mpc cell side resolution as a function of properties of the dark matter density field (e.g. local density, cosmic web type), automatically including stochastic, deterministic, local and non-local components. We use this information to sample the halo density field, accounting for ignored dependencies through an iterative process. By construction, our approach reaches ~1% accuracy in the majority of the k-range up to the Nyquist frequency without systematic deviations for power spectra (about $k ~ 1h$ Mpc -1 ) using either particle mesh or Lagrangian perturbation theory based solvers. When using phase-space mapping to compensate the low resolution of the approximate gravity solvers, our method reproduces the bispectra of the reference within 10% precision studying configurations tracing the quasi-non-linear regime. BAM has the potential to become a standard technique to produce mock halo and galaxy catalogues for future galaxy surveys and cosmological studies being highly accurate, efficient and parameter free.

79 ASTRONOMY AND ASTROPHYSICS↗

Data reduction in deterministic neutron transport calculations using machine learning

Neutron cross section matrices for fission and scattering data are required for each material, temperature, and enrichment level to calculate the neutron transport equation accurately. Here, this information can be a limiting factor when using the multigroup discrete ordinates (S N ) method when the number of energy groups is large. Machine Learning (ML) can be used to replace the need for the cross section matrices by reproducing the function that maps the scalar flux to the scattering and fission sources. Through the use of autoencoders and Deep Jointly-Informed Neural Networks (DJINN), the data storage requirements are reduced by 94% of the original data for a 618 group problem. This is accomplished while preserving the scalar flux, maintaining generality, and decreasing wall clock times.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Rolling Horizon with K-Position Search Method for Strategic Deconfliction of Package Delivery UAS

This research focuses on the strategic deconfliction of unmanned aircraft systems (UAS) in an urban package delivery environment with two depots and multiple drop-off locations. Since the formulated mixed-integer nonlinear programming (MINLP) problem is non-deterministic polynomial-time (NP) hard, a heuristic algorithm called "rolling horizon with k-position search (KPS)" is used to compute the departure sequence and scheduled time of departure (STD) of each UAS at a depot, considering temporal constraints at en-route crossing waypoints and depots for strategic deconfliction. The simulation studies show that an increase in the value of k (local neighborhood search) in the KPS reduces the average ground delay at the cost of an increase in the computation time for a given number of UAS, size of the rolling horizon window, and number of depots involved in the local neighborhood search. The studies also show that for a given rolling horizon window, the computation time increases exponentially with an increase in the total number of UAS flights when serial processing the local neighborhood search of KPS (with k > 1) and drops by an order of magnitude upon performing the local neighborhood search of KPS using parallel processing instead of serial processing. The computation time drops with the reduction in air traffic complexity of a scenario for a given number of flights, k (local neighborhood search), and rolling horizon window.

UTM↗

Enhancements on the Convex Programming Based Powered Descent Guidance Algorithm for Mars Landing

In this paper, we present enhancements on the powered descent guidance algorithm developed for Mars pinpoint landing. The guidance algorithm solves the powered descent minimum fuel trajectory optimization problem via a direct numerical method. Our main contribution is to formulate the trajectory optimization problem, which has nonconvex control constraints, as a finite dimensional convex optimization problem, specifically as a finite dimensional second order cone programming (SOCP) problem. SOCP is a subclass of convex programming, and there are efficient SOCP solvers with deterministic convergence properties. Hence, the resulting guidance algorithm can potentially be implemented onboard a spacecraft for real-time applications. Particularly, this paper discusses the algorithmic improvements obtained by: (i) Using an efficient approach to choose the optimal time-of-flight; (ii) Using a computationally inexpensive way to detect the feasibility/ infeasibility of the problem due to the thrust-to-weight constraint; (iii) Incorporating the rotation rate of the planet into the problem formulation; (iv) Developing additional constraints on the position and velocity to guarantee no-subsurface flight between the time samples of the temporal discretization; (v) Developing a fuel-limited targeting algorithm; (vi) Initial result on developing an onboard table lookup method to obtain almost fuel optimal solutions in real-time.

Guidance↗

Properties of the contraction map for holographic entanglement entropy inequalities

We present a deterministic way of finding contraction maps for candidate holographic entanglement entropy inequalities modulo choices due to actual degeneracy. We characterize its complexity and give an argument for the completeness of the contraction map proof method as a necessary and sufficient condition for the validity of an entropy inequality for holographic entanglement.

97 MATHEMATICS AND COMPUTING↗

Numerical and Analytical Methods of Study of Stochastic Systems with Delay

This paper is a brief review of methods of qualitative and quantitative study of various classes of stochastic systems with aftereffect. We describe schemes of analysis of stochastic ordinary and partial differential and integrodifferential equations, which are also applicable for their deterministic analogs. These numerical and analytical schemes are implemented in the software package Mathematica and in the language Intel Fortran.

97 MATHEMATICS AND COMPUTING↗

Efficient Langevin dynamics for “noisy” forces

Efficient Boltzmann-sampling using first-principles methods is challenging for extended systems due to the steep scaling of electronic structure methods with the system size. Additionally, stochastic approaches provide a gentler system-size dependency at the cost of introducing “noisy” forces, which could limit the efficiency of the sampling. When the forces are deterministic, the first-order Langevin dynamics (FOLD) offers efficient sampling by combining a well-chosen preconditioning matrix S with a time-step-bias-mitigating propagator [G. Mazzola and S. Sorella, Phys. Rev. Lett. 118, 015703 (2017)]. However, when forces are noisy, S is set equal to the force-covariance matrix, a procedure that severely limits the efficiency and the stability of the sampling. Here, we develop a new, general, optimal, and stable sampling approach for FOLD under noisy forces. We apply it for silicon nanocrystals treated with stochastic density functional theory and show efficiency improvements by an order-of-magnitude.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗