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At least 577 records · Page 32

Construction of accuracy-preserving surrogate for the eigenvalue radiation diffusion and/or transport problem

The construction of surrogate models for high fidelity models is now considered an important objective in support of all engineering activities which require repeated execution of the simulation, such as verification studies, validation exercises, and uncertainty quantification. The surrogate must be computationally inexpensive to allow its repeated execution, and must be computationally accurate in order for its predictions to be credible. This manuscript introduces a new surrogate construction approach that reduces the dimensionality of the state solution via a range-finding algorithm from linear algebra. It then employs a proper orthogonal decomposition-like approach to solve for the reduced state. The algorithm provides an upper bound on the error resulting from the reduction. Different from the state-of-the-art, the new approach allows the user to define the desired accuracy a priori which controls the maximum allowable reduction. We demonstrate the utility of this approach using an eigenvalue radiation diffusion model, where the accuracy is selected to match machine precision. Results indicate that significant reduction is possible for typical reactor assembly models, which are currently considered expensive given the need to employ very fine mesh many group calculations to ensure the highest possible fidelity for the downstream core calculations. Given the potential for significant reduction in the computational cost, we believe it is possible to rethink the manner in which homogenization theory is currently employed in reactor design calculations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Reducibility of Reactor Physics Depletion and Decay Calculation

Depletion and decay calculations are integral part of reactor physics calculations, necessary to estimate fuel characteristics following a given exposure to radiation. Given the complexity of reactor design and the unprecedented sophistication of the new high fidelity modeling and simulation tools, attempting to calculate a very accurate estimation of fuel characteristics on a pin-by-pin level, there is an ever-increasing need to perform these calculations in a computationally efficient manner. This summary presents a new enabling methodology to achieve higher computational gains while addressing one of the fundamental challenges of existing methods, that is how to preserve the accuracy of the original high fidelity models. This is difficult with current approaches relying on look-up tables or the elimination of non-influential isotopes. To achieve that we employ a reduced order modeling approach which reduces the effective dimensionality of the solution space, represented by the number of tracked nuclides. This approach allows the analyst to devise a user-defined level of reduction supported by rigorous error bounds that quantify the accuracy of the reduced model. This summary explores this new methodology by calculating the effective dimensionality for representative BWR depletion problems that are required to meet user-defined accuracy for the nuclides concentrations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Improvement of the TOPEX and Jason Orbit Time Series: Precision Orbit Determination, Calibration, Validation and Improvement Through the Combined Reduction and Analysis of GPS, SLR, DORIS and Altimeter Data

Orbit error is a major component in the overall error budget of all altimeter satellite missions. Jason-I is no exception and a 1 cm radial orbit accuracy goal has been set, which represents a factor of two improvement over what is currently being achieved for TOPEX/Poseidon (TP). Our current analysis suggests this goal has been met and even improved upon, but the challenge is to be able to continually achieve this high accuracy, verify the performance and characterize and quantify the remaining errors over the lifetime of the mission. The computation, verification and error characterization of such high accuracy orbits requires the reduction and analysis of all available tracking data (GPS, SLR, DORIS and altimeter). Current analysis also indicates the history of TP orbits can be further improved employing new solution strategies developed and tested on Jason-I. Our research focuses on the calibration, validation and improvement of orbit accuracies using all available tracking data including altimetry. We will compute and distribute well centered Jason orbits with an accuracy of better than 1-cm in the radial component. In addition to the orbits themselves, a characterization of the orbit error will be distributed and accumulated as a time series of orbit performance metrics to track anomalies and trends. The long time series of orbit error characterization will enable a better understanding of the remaining orbit errors and its impact on the altimeter data analysis. As part of this research effort we are also significantly improving the current level of TP orbit accuracy, re-computing new high-accuracy TP orbits from the beginning of the TP mission and continuing into the future (as long as TP is healthy). Our funded research effort will result in a complete and consistent time series of improved orbits for both TP and Jason, significantly benefiting the long time series of altimeter data analysis and the TP/Jason dual mission. The resultant high accuracy orbits and the characterization of their error will allow further improvements to the accuracy and overall quality of the altimeter measurement time series making possible further strides in radar altimeter remote sensing.

Luthcke, Scott B.↗

Participation in the Infrared Space Observatory (ISO) Mission

All the Infrared Space Observatory (ISO) data have been transmitted from the ISO Data Centre, reduced, and calibrated. This has been rather labor-intensive as new calibrations for both the ISOPHOT and ISOCAM data have been released and the algorithms for data reduction have improved. We actually discovered errors in the calibration in earlier versions of the software. However the data reduction improvements have now converged and we have a self-consistent, well-calibrated database. It has also been a major effort to obtain the ground-based JHK imaging, 450 micrometer and 850 micrometer imaging and the 1-2.5 micrometer near-infrared spectroscopy for most of the sample galaxies.

Joseph, Robert D.↗

Model reduction for flexible spacecraft with clustered natural frequencies

Two approaches to the problem of model reduction for flexible spacecraft that have proved very useful are balancing and model truncation. Furthermore, it is well known that a model representation of a lightly damped flexible structure with widely spaced natural frequencies is approximately balanced. Consequently, reduction in either coordinate system gives similar results for this case. It is important to note, however, that flexible space structures typically have clusters of closely spaced frequencies. In such cases, reduction in model coordinates can give large errors, while the error obtained using balancing is generally much smaller. A new reduction procedure which combines the best features of model and balanced reduction is therefore developed. It is more efficient than balanced reduction of the full system, as it only involves balancing those subsystems of close modes that are highly correlated, yet is shown to yield results which are essentially as good.

Williams, T. W. C.↗

An empirical Bayes approach for the Poisson life distribution.

A smooth empirical Bayes estimator is derived for the intensity parameter (hazard rate) in the Poisson distribution as used in life testing. The reliability function is also estimated either by using the empirical Bayes estimate of the parameter, or by obtaining the expectation of the reliability function. The behavior of the empirical Bayes procedure is studied through Monte Carlo simulation in which estimates of mean-squared errors of the empirical Bayes estimators are compared with those of conventional estimators such as minimum variance unbiased or maximum likelihood. Results indicate a significant reduction in mean-squared error of the empirical Bayes estimators over the conventional variety.

Canavos, G. C.↗

SZ3: A Modular Framework for Composing Prediction-Based Error-Bounded Lossy Compressors

Today's scientific simulations require a significant reduction of data volume because of extremely large amounts of data they produce and the limited I/O bandwidth and storage space. Here, error-bounded lossy compression has been considered one of the most effective solutions to the above problem. In practice, however, the best-fit compression method often needs to be customized or optimized in particular because of diverse characteristics in different datasets and various user requirements on the compression quality and performance. In this paper, we address this issue with a novel modular, composable compression framework named SZ3. Our contributions are four-folds. (1) We develop SZ3 which features an innovative modular abstraction for the prediction-based compression framework, such that compression modules can be plugged in easily to create new compressors based on characteristics of data and user requirements. (2) We create a new compression pipeline by SZ3 for GAMESS data, which significantly improves the compression ratios over state-of-the-art compressors. (3) We develop an adaptive compression pipeline by SZ3 for APS data with minimal efforts, which leads to the best rate-distortion among all existing error-bounded lossy compressors for any bit-rate. (4) We compare the sustainability of SZ3 with leading error-bounded prediction-based compressors, and then demonstrate the necessity of diverse pipelines by integrating and evaluating several compression pipelines on diverse scientific datasets from multiple disciplines. Experiments show that SZ3 incurs very limited overhead in compressor integration and our customized compression pipelines lead to up to 20% improvement in compression ratios under the same data distortion, when compared with the best existing approach.

97 MATHEMATICS AND COMPUTING↗

Open‐source photovoltaic model pipeline validation against well‐characterized system data

Abstract All freely available plane‐of‐array (POA) transposition models and photovoltaic (PV) temperature and performance models in pvlib‐python and pvpltools‐python were examined against multiyear field data from Albuquerque, New Mexico. The data include different PV systems composed of crystalline silicon modules that vary in cell type, module construction, and materials. These systems have been characterized via IEC 61853‐1 and 61853‐2 testing, and the input data for each model were sourced from these system‐specific test results, rather than considering any generic input data (e.g., manufacturer's specification [spec] sheets or generic Panneau Solaire [PAN] files). Six POA transposition models, 7 temperature models, and 12 performance models are included in this comparative analysis. These freely available models were proven effective across many different types of technologies. The POA transposition models exhibited average normalized mean bias errors (NMBEs) within ±3%. Most PV temperature models underestimated temperature exhibiting mean and median residuals ranging from −6.5°C to 2.7°C; all temperature models saw a reduction in root mean square error when using transient assumptions over steady state. The performance models demonstrated similar behavior with a first and third interquartile NMBEs within ±4.2% and an overall average NMBE within ±2.3%. Although differences among models were observed at different times of the day/year, this study shows that the availability of system‐specific input data is more important than model selection. For example, using spec sheet or generic PAN file data with a complex PV performance model does not guarantee a better accuracy than a simpler PV performance model that uses system‐specific data.

14 SOLAR ENERGY↗

Mapping the energy spectrum of the spin states of mixed-valent [Fe8]n- via pulsed field magnetization

The electronic structure of a family of octanuclear Fe{sup III}-complexes of the general formula [Fe{sub 8}({mu}{sub 4}-O)4({mu}-{sub r}-R-pz){sub 12}X{sub 4}] ([Fe{sub 8}]{sup 0}) and its redox-modified, mixed-valence [Fe{sub 8}]{sup n-} derivatives, where R = H, Me, Et, F, CI, Sr, I, etc. and X = F, CI, Sr, NCS, NCO, N{sub 3}, has recently been modeled by a an effective Hamiltonian consisting of two dominant exchange interactions [1]. The ground state properties (from S{sub tot} = 0 to 7) and magnetic energy level spacing of the Hamiltonian, and hence predicted magnetic properties, are widely tunable via choice of J's. The corresponding [Fe{sub 8}]{sup n-} anionic complexes with n = 1 - 4 are accessible electrochemically, allowing their in situ spectroelectrochemical characterization. The singly-reduced anions [Fe{sub 8}]{sup 1-} of the R = H, Cl and X = Cl species have also been prepared chemically via reduction with a stoichiometric amount of [BH{sub 4}]-, and characterized crystallographically; the structure of the Fe{sub 8}-cluster remains unaffected by the reduction, with most bond lengths differences within experimental error. Their Moessbauer spectroscopic analysis has pointed to the reduction taking place primarily within the Fe{sub 4}O{sub 4}-cubane, with charges delocalized over the four Fe{sub c} sites in the Moessbauer timescale. In contrast, the [Fe{sub 8}]{sup 1-} and [Fe{sub 8}]{sup 2-} species with R = Cl and X = NCS show a reduction at the outer, Fe{sub o}-sites, generating one or two localized Fe{sub o}-centers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Radiation dose rate distributions of spent fuel dry casks estimated with MAVRIC based on detailed geometry and continuous-energy models

This study presents a detailed comparison of the dose rate distributions of a dry TN–32 fuel cask with two geometry models and two cross-sectional datasets. The accuracies of radiation dose rate estimation and computational efficiencies of each geometry model with two cross-sectional data-sets are compared. The use of automated variance reduction techniques can significantly improve the computational efficiency of such a realistic, deep penetration problem that involves radiation transport from different volumetric sources, thereby eliciting only a small statistical error. Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC) is a computational sequence within the SCALE 6.2 code package based on consistent adjoint driven importance sampling (CADIS), a type of automated variance reduction technique. Homogenous and full fuel assembly models are built herein, and two nuclear cross-section libraries (V7–200N47G and continuous energy) are applied in this work. Based on the detailed comparisons, we found that neutron dose rate estimation is more dependent on geometry modeling than on cross-section data. For neutron-induced gamma rays, the dose rate distribution depends on both the spatial self-shielding effect and the cross-section library. The primary gamma rays respectively contribute to the total dose rate by ~91% and ~ 99% on side and top surfaces, and the dose rate accuracy is more dependent on the cross-section library than on geometry modeling. In terms of the computation efficiency and efforts spent on geometry modeling, the homogenous fuel assembly model with the MG library can produce an acceptable dose rate distribution, but the detailed fuel assembly model with the continuous-energy library is required for more precise dose rate estimation.

61 RADIATION PROTECTION AND DOSIMETRY↗

Symmetry in auxiliary-field quantum Monte Carlo calculations

We show how symmetry properties can be used to greatly increase the accuracy and efficiency in auxiliary-field quantum Monte Carlo (AFQMC) calculations of electronic systems. With the Hubbard model as an example, we study symmetry preservation in two aspects of ground-state AFQMC calculations, the Hubbard-Stratonovich transformation and the form of the trial wave function. It is shown that significant improvement over state-of-the-art calculations can be achieved. In unconstrained calculations, the implementation of symmetry often leads to shorter convergence time and much smaller statistical errors and thereby a substantial reduction of the sign problem. Moreover, certain excited states become possible to calculate which are otherwise beyond reach. In calculations with constraints, the use of symmetry can reduce the systematic error from the constraint. It also allows release-constraint calculations, leading to essentially exact results in many cases. Detailed comparisons are made with exact diagonalization results. Accurate ground-state energies are then presented for larger system sizes in the two-dimensional repulsive Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SU-E-J-108: Template Matching Based On Multiple Templates Can Improve the Tumor Tracking Performance When There Is Large Tumor Deformation

Purpose: Recently, template matching has been shown to be able to track tumor motion on cine-MRI images. However, artifacts such as deformation, rotation, and/or out-of-plane movement could seriously degrade the performance of this technique. In this work, we demonstrate the utility of multiple templates derived from different phases of tumor motion in reducing the negative effects of artifacts and improving the accuracy of template matching methods. Methods: Data from 2 patients with large tumors and significant tumor deformation were analyzed from a group of 12 patients from an earlier study. Cine-MRI (200 frames) imaging was performed while the patients were instructed to breathe normally. Ground truth tumor position was established on each frame manually by a radiation oncologist. Tumor positions were also automatically determined using template matching with either single or multiple (5) templates. The tracking errors, defined as the absolute differences in tumor positions determined by the manual and automated methods, when using either single or multiple templates were compared in both the AP and SI directions, respectively. Results: Using multiple templates reduced the tracking error of template matching. In the SI direction where the tumor movement and deformation were significant, the mean tracking error decreased from 1.94 mm to 0.91 mm (Patient 1) and from 6.61 mm to 2.06 mm (Patient 2). In the AP direction where the tumor movement was small, the reduction of the mean tracking error was significant in Patient 1 (from 3.36 mm to 1.04 mm), but not in Patient 2 ( from 3.86 mm to 3.80 mm). Conclusion: This study shows the effectiveness of using multiple templates in improving the performance of template matching when artifacts like large tumor deformation or out-of-plane motion exists. Accurate tumor tracking capabilities can be integrated with MRI guided radiation therapy systems. This work was supported in part by grants from NIH/NCI CA 124766 and Varian Medical Systems, Palo Alto, CA.

60 APPLIED LIFE SCIENCES↗

State reduction for semi-Markov reliability models

Semi-Markov processes have proved to be an effective and convenient tool to construct models of systems that achieve reliability by redundancy and reconfiguration. These models are able to depict complex system architectures and to capture the dynamics of fault arrival and system recovery. A disadvantage of this approach is that the models can be extremely large, which poses both a model construction and a computational problem. Techniques are needed to reduce the model size. Because these systems are used in critical applications where failure can be expensive, there must be an analytically derived bound for the error produced by the model reduction technique. Automatic model generation programs have been written to help the reliability analyst produce models of complex systems. Because of the importance of these programs, the model reduction technique needs to be precise and easily implemented. This paper presents a model reduction technique called trimming that can be applied to a popular class of systems. An error bound for the trimming procedure is derived that uses readily available system parameters. The trimming procedure is precisely described and appears easy to implement in a model generation program.

Reduced order systems↗

Operational Data Reduction Procedure for Determining Density and Vertical Structure of the Martian Upper Atmosphere from Mars Global Surveyor Accelerometer Measurements

The success of aerobraking by the Mars Global Surveyor (MGS) spacecraft was partly due to the analysis of MGS accelerometer data. Accelerometer data was used to determine the effect of the atmosphere on each orbit, to characterize the nature of the atmosphere, and to predict the atmosphere for future orbits. To interpret the accelerometer data, a data reduction procedure was developed to produce density estimations utilizing inputs from the spacecraft, the Navigation Team, and pre-mission aerothermodynamic studies. This data reduction procedure was based on the calculation of aerodynamic forces from the accelerometer data by considering acceleration due to gravity gradient, solar pressure, angular motion of the MGS, instrument bias, thruster activity, and a vibration component due to the motion of the damaged solar array. Methods were developed to calculate all of the acceleration components including a 4 degree of freedom dynamics model used to gain a greater understanding of the damaged solar array. The total error inherent to the data reduction procedure was calculated as a function of altitude and density considering contributions from ephemeris errors, errors in force coefficient, and instrument errors due to bias and digitization. Comparing the results from this procedure to the data of other MGS Teams has demonstrated that this procedure can quickly and accurately describe the density and vertical structure of the Martian upper atmosphere.

Cancro, George J.↗

Implementing and Improving CBMZ-MAM3 Chemistry and Aerosol Modules in the Regional Climate Model WRF-CAM5: An Evaluation over the Western US and Eastern North Pacific

The representation of aerosols in climate-chemistry models is important for air quality and climate change research, but it can require significant computational resources. The objective of this study was to improve the representation of aerosols in climate–chemistry models, specifically in the carbon bond mechanism, version Z (CBMZ), and modal aerosol modules with three lognormal modes (MAM3) in the WRF-CAM5 model. The study aimed to enhance the model’s chemistry capabilities by incorporating biomass burning emissions, establishing a conversion mechanism between volatile organic compounds (VOCs) and secondary organic carbons (SOCs), and evaluating its performance against observational benchmarks. The results of the study demonstrated the effectiveness of the enhanced chemistry capabilities in the WRF-CAM5 model. Six simulations were conducted over the western U.S. and northeastern Pacific region, comparing the model’s performance with observational benchmarks such as reanalysis, ground-based, and satellite data. The findings revealed a significant reduction in root-mean-square errors (RMSE) for surface concentrations of black carbon (BC) and organic carbon (OC). Specifically, the model exhibited a 31% reduction in RMSE for BC concentrations and a 58% reduction in RMSE for OC concentrations. These outcomes underscored the importance of accurate aerosol representation in climate-chemistry models and emphasized the potential for improving simulation accuracy and reducing errors through the incorporation of enhanced chemistry modules in such models.

54 ENVIRONMENTAL SCIENCES↗

Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method

We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V ) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced study of video signal processing in low signal to noise environments

The frame to frame correlation properties of the video process are utilized to reduce the mean squared error of the demodulated video where zero mean noise is a factor. An interpolative estimator is used for continuous estimation with the output process delayed in time by one frame. Theoretical development shows that for the model herein developed reduction of the mean squared error by 1.0 to 4.0 db possible for parameter ranges of interest. Interpolative estimation using inter-frame correlation properties of a video process is then applied to the Apollo 17 parameters to yield a model for application on that mission.

Carden, F.↗