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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,027 records · Page 57

Evaluation of obstacle modelling approaches for resource assessment and small wind turbine siting: case study in the northern Netherlands

Abstract. Growth in adoption of distributed wind turbines for energy generation is significantly impacted by challenges associated with siting and accurate estimation of the wind resource. Small turbines, at hub heights of 40 m or less, are greatly impacted by terrestrial obstacles such as built structures and vegetation that can cause complex wake effects. While some progress in high-fidelity complex fluid dynamics (CFD) models has increased the potential accuracy for modelling the impacts of obstacles on turbulent wind flow, these models are too computationally expensive for practical siting and resource assessment applications. To understand the efficacy of available models in situ, this study evaluates classic and commonly used methods alongside new state-of-the-art lower-order models derived from CFD simulations and machine learning approaches. This evaluation is conducted using a subset of an extensive original dataset of measurements from more than 300 operational wind turbines in the northern Netherlands. The results show that data-driven methods (e.g. machine learning and statistical modelling) are most effective at predicting production at real sites with an average error in annual energy production of 2.5 %. When sufficient data may not be available de novo to support these data-driven approaches, models derived from high-fidelity simulations show promise and reliably outperform classic methods. On average these models have 6.3 %–11.5 % error compared with 26 % for classic methods and 27 % baseline error for reanalysis data without obstacle correction. While more performant on average, these methods are also sensitive to the quality of obstacle descriptions and reanalysis inputs.

17 WIND ENERGY↗

Long-haul high rate quantum key distribution

Multiple bit values can be encoded on a single photon in a quantum key distribution (QKD) system using a plurality of sidebands of an optical carrier frequency. Computational and conjugate bases can be defined, and photons decoded based on a selected state from either basis. If n sidebands are available, as many as log.sub.2n bits can be encoded on a single photon. Errors in detected bit values due to selection of an incorrect basis state or other errors can be at least partially corrected by bit distillation to identity bit strings for which a transmitter and a receiver record the same values, without insecure transmission of these values.

97 MATHEMATICS AND COMPUTING↗

Long-haul high rate quantum key distribution

Multiple bit values can be encoded on a single photon in a quantum key distribution (QKD) system using a plurality of sidebands of an optical carrier frequency. Computational and conjugate bases can be defined, and photons decoded based on a selected state from either basis. If n sidebands are available, as many as log2 n bits can be encoded on a single photon. Errors in detected bit values due to selection of an incorrect basis state or other errors can be at least partially corrected by bit distillation to identity bit strings for which a transmitter and a receiver record the same values, without insecure transmission of these values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Long-haul high rate quantum key distribution

Multiple bit values can be encoded on a single photon in a quantum key distribution (QKD) system using a plurality of sidebands of an optical carrier frequency. Computational and conjugate bases can be defined, and photons decoded based on a selected state from either basis. If n sidebands are available, as many as log2n bits can be encoded on a single photon. Errors in detected bit values due to selection of an incorrect basis state or other errors can be at least partially corrected by bit distillation to identity bit strings for which a transmitter and a receiver record the same values, without insecure transmission of these values.

Nordholt, Jane Elizabeth↗

CBETA 4-pass Orbit Correction and Tolerance Study (CBETA Machine Note #037)

The main goal of this study is to find the tolerance of the CBETA FFAG lattice subjected to various errors. Common error sources include non-ideal magnet positioning and alignment, undesired multipole field strengths, and BPM offsets. In order to fix the beam trajectories (orbits) affected by the errors, dipole kickers have been allocated throughout the FFAG beamline to serve as correctors. Since there are four coexisting orbits in the FFAG, the correction scheme must aim to correct all four of them simultaneously. The simulation is performed using Bmad, developed by Cornell University to model relativistic beam dynamics in customized accelerator lattices. The core of orbit correction is the singular value decomposition (SVD) optimization. As the error magnitudes increase, the beam size and emittance after correction could undesirably increase, and our goal is to find the "individual limit" of each error type beyond which the increases become unacceptable. Typically this limit is reached before the orbits become un-correctable. Similarly we can also find the "combined limit" of various errors. Both limits will be properly defined in the later section.

43 PARTICLE ACCELERATORS↗

Correction to “From Structure to Function: Zn/Mn-Modified Maghemite as an Advanced Nanoplatform for Magnetic Hyperthermia and Radionuclide Therapy”

In the original paper, the acknowledgment contained an error in the attribution of the financial support. The correction is necessary to accurately reflect the source of funding that supported the contributions of the authors from the Institute of Physics Belgrade. The corrected Acknowledgments section is below. Here, this correction pertains solely to the funding acknowledgment and does not affect the scientific content, data, results, or conclusion of the work in any way.

Cancer therapy↗

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

Recently developed locally scaled self-interaction correction (LSIC) is a one-electron SIC method that, when used with a ratio of kinetic energy densities (z σ ) as iso-orbital indicator, performs remarkably well for both thermochemical properties as well as for barrier heights overcoming the paradoxical behavior of the well-known Perdew–Zunger self-interaction correction (PZSIC) method. In this work, we examine how well the LSIC method performs for the delocalization error. Our results show that both LSIC and PZSIC methods correctly describe the dissociation of $H$$^{+}_{2}$ and $H$$^{+}_{2}$ but LSIC is overall more accurate than the PZSIC method. Likewise, in the case of the vertical ionization energy of an ensemble of isolated He atoms, the LSIC and PZSIC methods do not exhibit delocalization errors. For the fractional charges, both LSIC and PZSIC significantly reduce the deviation from linearity in the energy vs number of electrons curve, with PZSIC performing superior for C, Ne, and Ar atoms while for Kr they perform similarly. The LSIC performs well at the endpoints (integer occupations) while substantially reducing the deviation. The dissociation of LiF shows both LSIC and PZSIC dissociate into neutral Li and F but only LSIC exhibits charge transfer from Li + to F – at the expected distance from the experimental data and accurate ab initio data. Overall, both the PZSIC and LSIC methods reduce the delocalization errors substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Embedded Model Error Representation for Bayesian Model Calibration

Model error estimation remains one of the key challenges in uncertainty quantification and predictive science. For computational models of complex physical systems, model error, also known as structural error or model inadequacy, is often the largest contributor to the overall predictive uncertainty. This work builds on a recently developed framework of embedded, internal model correction, in order to represent and quantify structural errors, together with model parameters,within a Bayesian inference context. We focus specifically on a Polynomial Chaos representation with additive modification of existing model parameters, enabling a non-intrusive procedure for efficient approximate likelihood construction, model error estimation, and disambiguation of model and data errors’ contributions to predictive uncertainty. The framework is demonstrated on several synthetic examples, as well as on a chemical ignition problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Embedded Model Error Representation for Bayesian Model Calibration

Model error estimation remains one of the key challenges in uncertainty quantification and predictive science. For computational models of complex physical systems, model error, also known as structural error or model inadequacy,is often the largest contributor to the overall predictive uncertainty. This work builds on a recently developed framework of embedded, internal model correction, in order to represent and quantify structural errors, together with model parameters, within a Bayesian inference context. We focus specifically on a Polynomial Chaos representation with additive modification of existing model parameters, enabling a non-intrusive procedure for efficient approximate likelihood construction, model error estimation, and disambiguation of model and data errors' contributions to predictive uncertainty. As a result, the framework is demonstrated on several synthetic examples, as well as on a chemical ignition problem

97 MATHEMATICS AND COMPUTING↗

Error estimates of finite difference methods for the Dirac equation in the massless and nonrelativistic regime

We present four frequently used finite difference methods and establish the error bounds for the discretization of the Dirac equation in the massless and nonrelativistic regime, involving a small dimensionless parameter 0 < ε &NestedLessLess; 1 inversely proportional to the speed of light. In the massless and nonrelativistic regime, the solution exhibits rapid motion in space and is highly oscillatory in time. Specifically, the wavelength of the propagating waves in time is at O(ε), while in space, it is at O(1) with the wave speed at O(ε -1 ). We adopt one leap-frog, two semi-implicit, and one conservative Crank-Nicolson finite difference methods to numerically discretize the Dirac equation in one dimension and establish rigorously the error estimates which depend explicitly on the time step τ, mesh size h, and the small parameter ε. The error bounds indicate that, to obtain the “correct” numerical solution in the massless and nonrelativistic regime, i.e., 0 < ε &NestedLessLess; 1, all these finite difference methods share the same ε-scalability as time step τ = O(ε 3/2 ) and mesh size h = O(ε 1/2 ). A large number of numerical results are reported to verify the error estimates.

97 MATHEMATICS AND COMPUTING↗

Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. Erratum

Please insert erratum page in report PNNL-14805. This erratum serves to correct the K g (Glass apparent equilibrium constant based on the SiO 2 (aq) activity) values affected by a calculation error for glasses LAWA44, LAWB45 and LAWC22. The error was first identified by Papathanassiu et al. (2011). The K g values were corrected by Freedman et al. (2015) by multiplying the erroneous K g values by approx. 3.4. As indicated in Freedman et al. (2015), this 3.4 factor originates from the erroneous use of the molecular weight of H 4 SiO 4 (96.114 g·mol –1 ) instead of the molecular weight for Si (28.086 g·mol –1 ).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Integrated Vapor Transport Biases

Abstract High-fidelity analyses and forecasts of integrated vapor transport (VT) are central to the study of Earth’s hydrological cycle as well as high-impact phenomena such as monsoons and atmospheric rivers. The impact of the in-line analysis correction-based additive inflation (ACAI) on IVT biases and forecast errors is examined within the Navy Earth System Prediction Capability (Navy ESPC) global coupled system. The ACAI technique uses atmospheric analysis corrections from the data assimilation system to approximate model bias and as a representation of stochastic model error to simultaneously reduce systematic and random errors and improve ensemble performance. ACAI reduces the global average magnitude of the 7- and 14-day IVT bias by 16%–17% during Northern Hemisphere summer, reaching 70% reductions in some tropical regions. The global average IVT bias reduction is similar to the bias reduction for low-level wind speed bias and considerably smaller than the bias reduction in total precipitable water. The localized regions where ACAI increases IVT bias occur where the control IVT biases change sign and structure with increasing forecast lead time, such as the South Asian monsoon region. Substituting analyzed wind or moisture fields for the forecast fields when calculating the forecast IVT confirms that, on average, wind errors dominate the IVT error calculation in the tropics, although wind and moisture error contributions are comparable in the extratropics. The existence of regions where using either analyzed winds or analyzed moisture increases IVT bias or mean absolute error reveals areas with compensating errors.

Reynolds, Carolyn A.↗

Effects of machine learning errors on human decision-making: manipulations of model accuracy, error types, and error importance

Abstract This study addressed the cognitive impacts of providing correct and incorrect machine learning (ML) outputs in support of an object detection task. The study consisted of five experiments that manipulated the accuracy and importance of mock ML outputs. In each of the experiments, participants were given the T and L task with T-shaped targets and L-shaped distractors. They were tasked with categorizing each image as target present or target absent. In Experiment 1, they performed this task without the aid of ML outputs. In Experiments 2–5, they were shown images with bounding boxes, representing the output of an ML model. The outputs could be correct (hits and correct rejections), or they could be erroneous (false alarms and misses). Experiment 2 manipulated the overall accuracy of these mock ML outputs. Experiment 3 manipulated the proportion of different types of errors. Experiments 4 and 5 manipulated the importance of specific types of stimuli or model errors, as well as the framing of the task in terms of human or model performance. These experiments showed that model misses were consistently harder for participants to detect than model false alarms. In general, as the model’s performance increased, human performance increased as well, but in many cases the participants were more likely to overlook model errors when the model had high accuracy overall. Warning participants to be on the lookout for specific types of model errors had very little impact on their performance. Overall, our results emphasize the importance of considering human cognition when determining what level of model performance and types of model errors are acceptable for a given task.

97 MATHEMATICS AND COMPUTING↗

Adaptive mesh refinement for steady flows in Nek5000

Adaptive mesh refinement is performed in the framework of the spectral element method augmented by approaches to error estimation and control. The h-refinement technique is used for adapting the mesh, where selected grid elements are split by a quadtree (2D) or octree (3D) structure. Continuity between parent-child elements is enforced by high-order interpolation of the solution across the common faces. Parallel mesh partitioning and grid management respectively, are taken care of by the external libraries ParMETIS and p4est. Two methods are considered for estimating and controlling the error of the solution. The first error estimate is local and based on the spectral properties of the solution on each element. This method gives a local measure of the L-2-norm of the solution over the entire computational domain. The second error estimate uses the dual-weighted residuals method - it is based on and takes into account both the local properties of the solution and the global dependence of the error in the solution via an adjoint problem. The objective of this second approach is to optimize the computation of a given functional of physical interest. The simulations are performed by using the code Nek5000 and three steady-state test cases are studied: a two-dimensional lid-driven cavity at Re = 7, 500, a two-dimensional flow past a cylinder at Re = 40, and a three-dimensional lid-driven cavity at Re = 2,000 with a moving lid tilted by an angle of 30 degrees. Finally, the efficiency of both error estimators is compared in terms of refinement patterns and accuracy on the functional of interest. In the case of the adjoint error estimators, the trend on the error of the functional is shown to be correctly represented up to a multiplicative constant.

42 ENGINEERING↗

Dependence of calculated postshock thermodynamic variables on vibrational equilibrium and input uncertainty

The purpose of this article is to explore the dependence of calculated postshock thermodynamic properties in shock tube experiments upon the vibrational state of the test gas and upon the uncertainties inherent to calculation inputs. This paper first offers a comparison between state variables calculated according to a Rankine–Hugoniot–equation-based algorithm, known as FROSH, and those derived from shock tube experiments on vibrationally nonequilibrated gases. It is shown that incorrect vibrational relaxation assumptions could lead to errors in temperature as large as 8% for 25% oxygen/argon mixtures at 3500 K. Following this demonstration, this article employs the algorithm to show the importance of correct vibrational equilibration assumptions, noting, for instance, that errors in temperature of up to about 2% at 3500 K may be generated for 10% nitrogen/argon mixtures if vibrational relaxation is not treated properly. Lastly, this article presents an extensive uncertainty analysis, showing that postshock temperatures can be calculated with root-of-sum-of-square errors of better than ±1% given sufficiently accurate experimentally measured input parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU-F-P-18: Development of the Technical Training System for Patient Set-Up Considering Rotational Correction in the Virtual Environment Using Three-Dimensional Computer Graphic Engine

Purpose: Patient set-up skills in radiotherapy treatment room have a great influence on treatment effect for image guided radiotherapy. In this study, we have developed the training system for improving practical set-up skills considering rotational correction in the virtual environment away from the pressure of actual treatment room by using three-dimensional computer graphic (3DCG) engine. Methods: The treatment room for external beam radiotherapy was reproduced in the virtual environment by using 3DCG engine (Unity). The viewpoints to perform patient set-up in the virtual treatment room were arranged in both sides of the virtual operable treatment couch to assume actual performance by two clinical staffs. The position errors to mechanical isocenter considering alignment between skin marker and laser on the virtual patient model were displayed by utilizing numerical values expressed in SI units and the directions of arrow marks. The rotational errors calculated with a point on the virtual body axis as the center of each rotation axis for the virtual environment were corrected by adjusting rotational position of the body phantom wound the belt with gyroscope preparing on table in a real space. These rotational errors were evaluated by describing vector outer product operations and trigonometric functions in the script for patient set-up technique. Results: The viewpoints in the virtual environment allowed individual user to visually recognize the position discrepancy to mechanical isocenter until eliminating the positional errors of several millimeters. The rotational errors between the two points calculated with the center point could be efficiently corrected to display the minimum technique mathematically by utilizing the script. Conclusion: By utilizing the script to correct the rotational errors as well as accurate positional recognition for patient set-up technique, the training system developed for improving patient set-up skills enabled individual user to indicate efficient positional correction methods easily.

60 APPLIED LIFE SCIENCES↗

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗