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At least 1,099 records · Page 61

Calculation of Higher Eigenpairs of the Transport Equation Using IRAM Based on Domain Decomposition

The higher eigenpairs of the neutron transport (or diffusion) equation are useful in core flux distribution reconstruction, transient analysis, stability analysis, and loading pattern optimization. There are various methods for the calculation of higher eigenpairs, such as the power iteration method with filtering technique, the Generalized Modified Power Method (GMPM), the power iteration method with innovative boundary conditions for symmetric cores, and Krylov subspace methods. In regard to Krylov subspace methods, the Implicitly Restarted Arnoldi Method (IRAM) and ORTHOMIN were implemented to calculate higher eigenpairs for both transport and diffusion equations. In Warsa's work, however, there was a significant drawback that problems with energy upscatter could not be treated efficiently. In Modak's work, the mode to which his method was likely to converge depended on the shape of initial guess flux, and only one mode could be computed each time, making it impractical for real use. Furthermore, the computational burden for higher eigenpairs is generally much larger than for only the first eigenpair, especially for neutron transport equations. Therefore, the implementation of parallel computation for higher eigenpairs is essential to improve the efficiency, and no such work has been reported in literature so far. In this summary, we propose an innovative method to calculate higher eigenpairs of the neutron transport equation based on high performance computation. In this method, 2D Matrix Method of Characteristic (MMOC) is used to discretize the neutron transport equation; IRAM is used to evaluate higher eigenpairs; spatial domain decomposition is used to realize parallel computation. The highlight of this method is using the MGMD PGMRES (Multi-Group and Multi-Domain coupled Parallel Generalized Minimal Residual Method) algorithm to simultaneously accelerate the upscatter iterations and the inner interface angular fluxes iterations, avoiding the drawback in Warsa's method and the efficiency problem of conventional Jacobi iteration. To the best of our knowledge, our work represents the first application of IRAM based on domain decomposition for higher eigenpairs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Light charged ion measurements and Monte Carlo calculations from thick targets bombarded by protons and heavy ions - 25435

The data presented in this work are from experiments performed in November 2016 and November 2017 at the National Aeronautics and Space Administration (NASA) Space Radiation Laboratory at Brookhaven National Laboratory (BNL). The secondary light charged ions (Z=1 and 2 ions) and neutrons produced by 400-, 800-, and 2500-AMeV protons and 400-, 800-, and 1500-AMeV He, C, Si, Fe ions bombarding thick targets (20, 40, and 60 g/cm{sup 2} aluminum and high-density polyethylene (HDPE), and 20 and 60 g/cm{sup 2} combination of aluminum and HDPE) were measured with organic liquid scintillators and sodium iodide (NaI) detectors. The organic liquid scintillators were positioned at 10 deg., 30 deg., 45 deg., 60 deg., 80 deg., and 135 deg. with respect to the beam direction, while NaI detectors were placed at 10 deg. and 30 deg. off the beam axis. The double-differential thick-target secondary light charged ion yields measured by organic liquid scintillators are of main interest here. In the analysis, after applying pulse shape discrimination to separate protons, deuterons, tritons, helium-3, and helium-4 particles, the time of flight technique was used to produce the secondary charged particle angular-energy spectra. Additionally, the spectra were compared with simulation results using the Monte Carlo simulation code, PHITS version 2.88. To obtain favorable statistics in PHITS calculations, ring-type detectors were modeled, which have the same distances and equivalent angles with the experimental setup. These experimental data will be integrated into the uncertainty analysis for NASA to optimize future GCR shielding design. (authors)

43 PARTICLE ACCELERATORS↗

Effects of Target Protium Content on SteadyState Isotope Rebalancing and Protium Removal Distillation Column Operation

• SRNL Fusion Fuel Cycle Research • SRNL Fuel Cycle Tritium Inventory Optimization Approaches • RHINO/Aspen • CODFISH • Direct Internal Recycling • IFE Fuel Cycle Overview • Direct Internal Recycling Applied to IFE • CODFISH Isotope Rebalancing and Protium Removal Column Optimization • RHINO Fuel Cycle Analysis • Conclusions and Future Work

Somers, Alex [Savannah River National Laboratory (↗

MARIE: A Python-Based Framework for Comprehensive Fuel Recycling Modeling

One of the most pressing challenges to the continued deployment of nuclear energy systems is in the ultimate management and disposition of discharged fuel assemblies. While reprocessing and recovery of valuable materials from UNF assemblies has been considered as part of an overall strategy for minimization of the volume of reactor-based wastes to be managed, the deployment of commercial-scale reprocessing facilities presents an enormous economic challenge. The MARIE software package has been developed as a means of confronting this challenge. Representing components of a generic fuel reprocessing operation as individual physical processes, MARIE is designed as a modular framework intended to allow for analysis and cost-optimization for a hypothetical reprocessing facility while realistically accounting for the physical characteristics of the used fuel source term, such as decay heat, activity, and radiation dose (informing corresponding shielding requirements). Capabilities supported by MARIE include head-end operations such as fuel shearing, voloxidation, and dissolution; generic solvent extraction operations informed by available open-literature data; a suite of unit operations intended to represent electrochemical processing of used fuel assemblies (i.e., oxide reduction, electrorefining, and electrowinning); and finally, accounting for both costs and physical features of discharged waste streams, which can be used to inform follow-on analyses such as the feasibility of deep-borehole disposal of HLW. This paper presents an overview of the MARIE software capabilities, including how individual unit operations are implemented to enable a larger-scale optimization of a hypothetical reprocessing operation on aspects such as cost and recovery of valuable materials.

Skutnik, Steve [ORNL] (ORCID:000000016441135X)↗

Exploring the Potential of ASHRAE Guideline 36 in District Cooling Systems: Preprint

ASHRAE Guideline 36-2021 (G36) provides high-performance control sequences for all-air and hydronic HVAC systems, and it has proven effective at reducing energy use for single building all-air equipment. The most recent version of G36 included control sequences for water-cooled chiller plants, which can be used in district cooling systems (DCSs). Despite not being a traditional application of G36 controls, DCSs could benefit from energy savings that G36 control sequences have demonstrated in single building systems. We therefore investigate the possibility to extend G36 chiller plant control from a single building to district cooling using a real-world district cooling system in Boulder, Colorado as a case study. Four timeframes representing low to peak loads are simulated and analyzed to compare energy use of the district cooling system for three control sequences. Results show that although G36 chiller plant sequences can be applied to DCSs, further analysis and potentially control optimization is needed to ensure energy savings compared to default controls.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Multiscale topology optimization using neural network surrogate models

In this study, we are concerned with optimization of macroscale elastic structures that are designed utilizing spatially varying microscale metamaterials. The macroscale optimization is accomplished using gradient-based nonlinear topological optimization. But instead of using density as the optimization decision variable, the decision variables are the multiple parameters that define the local microscale metamaterial. This is accomplished using single layer feedforward Gaussian basis function networks as a surrogate models of the elastic response of the microscale metamaterial. The surrogate models are trained using highly resolved continuum finite element simulations of the microscale metamaterials and hence are significantly more accurate than analytical models e.g. classical beam theory. Because the derivative of the surrogate model is important for sensitivity analysis of the macroscale topology optimization, a neural network training procedure based on the Sobolev norm is described. Since the SIMP method is not appropriate for spatially varying lattices, an alternative method is developed to enable creation of void regions. Lastly, the efficacy of this approach is demonstrated via several examples in which the optimal graded metamaterial outperforms a traditional solid structure.

42 ENGINEERING↗

Global Transformations for Legacy Parallel Applications via Structural Analysis and Rewriting

Performance and scalability optimization of large HPC applications is currently a labor-intensive, manual process with very low productivity. Major difficulties come from the disaggregated environment for HPC application development: the compiler is only involved in local decisions (core or multithreaded domain), while a library-based, communication-oriented programming model realizes whole-machine parallelism. Realizing any major global change in such a disaggregated environment is very difficult and involves changing large portions of the source code. We present semi-automated techniques, based on structural analysis and rewriting, for performing global transformations on an HPC application source code. We present two case studies using the Self-Consistent Field (SCF) standalone benchmark as well as the Coupled Cluster (CCSD) module (2.9 million lines of Fortran code), a key module of the NWChem computational chemistry application. We demonstrate how structural rewriting techniques can be used to automate transformations that affect multiple sections of the application's source code. We show that the transformations can be applied in a systematic fashion across the source code bases with minimal manual effort. These transformations improve the scalability of the SCF benchmark by more than two orders of magnitude and the performance of the full CCSD module by a factor of 4.0.

legacy parallel applications↗

The Convolutional Multiple Whole Profile (CMWP) Fitting Method, a Global Optimization Procedure for Microstructure Determination

The analysis of line broadening in X-ray and neutron diffraction patterns using profile functions constructed on the basis of well-established physical principles and TEM observations of lattice defects has proven to be a powerful tool for characterizing microstructures in crystalline materials. These principles are applied in the convolutional multiple-whole-profile (CMWP) procedure to determine dislocation densities, crystallite size, stacking fault and twin boundary densities, and intergranular strains. The different lattice defect contributions to line broadening are separated by considering the hkl dependence of strain anisotropy, planar defect broadening and peak shifts, and the defect dependent profile shapes. The Levenberg–Marquardt (LM) peak fitting procedure can be used successfully to determine crystal defect types and densities as long as the diffraction patterns are relatively simple. However, in more complicated cases like hexagonal materials or multiple-phase patterns, using the LM procedure alone may cause uncertainties. Here, we extended the CMWP procedure by including a Monte Carlo statistical method where the LM and a Monte Carlo algorithm were combined in an alternating manner. The updated CMWP procedure eliminated uncertainties and provided global optimized parameters of the microstructure in good correlation with electron microscopy methods.

36 MATERIALS SCIENCE↗

Sensitivity Analyses for Monte Carlo Sampling-Based Particle Simulations

Computational design-based optimization is a well-used tool in science and engineering. Our report documents the successful use of a particle sensitivity analysis for design-based optimization within Monte Carlo sampling-based particle simulation—a currently unavailable capability. Such a capability enables the particle simulation communities to go beyond forward simulation and promises to reduce the burden on overworked analysts by getting more done with less computation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Optimization of cool roof and night ventilation in office buildings: A case study in Xiamen, China

Increasing roof albedo (using a “cool” roof) and night ventilation are passive cooling technologies that can reduce the cooling loads in buildings, but existing studies have not comprehensively explored the potential benefits of integrating these two technologies. This study combines an experiment in the summer and transition seasons with an annual simulation so as to evaluate the thermal performance, energy savings and thermal comfort improvement that could be obtained by coupling a cool roof with night ventilation. A holistic approach integrating sensitivity analysis and multi-objective optimization is developed to explore key design parameters (roof albedo, night ventilation air change rate, roof insulation level and internal thermal mass level) and optimal design options for the combined application of the cool roof and night ventilation. The proposed approach is validated and demonstrated through studies on a six-storey office building in Xiamen, a cooling-dominated city in southeast China. Simulations show that combining a cool roof with night ventilation can significantly decrease the annual cooling energy consumption by 27% compared to using a black roof without night ventilation and by 13% compared to using a cool roof without night ventilation. Roof albedo is the most influential parameter for both building energy performance and indoor thermal comfort. Optimal use of the cool roof and night ventilation can reduce the annual cooling energy use by 28% during occupied hours when air-conditioners are on and reduce the uncomfortable time slightly during occupied hours when air-conditioners are off.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A backward SDE method for uncertainty quantification in deep learning

Here, we develop a backward stochastic differential equation based probabilistic machine learning method, which formulates a class of stochastic neural networks as a stochastic optimal control problem. An efficient stochastic gradient descent algorithm is introduced with the gradient computed through a backward stochastic differential equation. Convergence analysis for stochastic gradient descent optimization and numerical experiments for applications of stochastic neural networks are carried out to validate our methodology in both theory and performance.

97 MATHEMATICS AND COMPUTING↗

Expediting Scientific Data Analysis with Reorganization of Data

Data producers typically optimize the layout of data files to minimize the write time. In most cases, data analysis tasks read these files in access patterns different from the write patterns causing poor read performance. In this paper, we introduce Scientific Data Services (SDS), a framework for bridging the performance gap between writing and reading scientific data. SDS reorganizes data to match the read patterns of analysis tasks and enables transparent data reads from the reorganized data. We implemented a HDF5 Virtual Object Layer (VOL) plugin to redirect the HDF5 dataset read calls to the reorganized data. To demonstrate the effectiveness of SDS, we applied two parallel data organization techniques: a sort-based organization on a plasma physics data and a transpose-based organization on mass spectrometry imaging data. We also extended the HDF5 data access API to allow selection of data based on their values through a query interface, called SDS Query. We evaluated the execution time in accessing various subsets of data through existing HDF5 Read API and SDS Query. We showed that reading the reorganized data using SDS is up to 55X faster than reading the original data.

97 MATHEMATICS AND COMPUTING↗

An Analysis of Muon Neutrino Disappearance from the NuMI Beam Using an Optimal Track Fitter

The NOvA experiment is a long-baseline neutrino oscillation experiment based out of Fermilab National Accelerator Laboratory that uses two liquid scintillator detectors, one at Fermilab (the \near" detector) and a second 14 kton detector in northern Minnesota (the \far" detector.) The primary physics goals of the NOvA experiment are to measure neutrino mixing parameters through both the v μ disappearance and v e appearance channels using neutrinos from the newly upgraded NuMI beam line. The NOvA v μ disappearance analysis can significantly improve the world's best measurement of sin 2 θ 23 . This analysis proceeds by using the measured v μ charged-current energy spectrum in the near detector to predict the spectrum in the far detector, and comparing this to the measured spectrum to obtain a best fit for the oscillation parameters sin 2 θ 23 and Δm 2 32 . Since this fit is governed by the shape of the energy spectrum, the best fit will be maximized by obtaining the best possible energy resolution for the individual neutrino events. This dissertation describes an alternate v μ disappearance analysis technique for the NOvA experiment, based on the idea that estimating the energy resolution of the individual events will allow them to be separated into different energy resolution samples in order to improve the final fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CATS: The Hubble Constant from Standardized TRGB and Type Ia Supernova Measurements

The tip of the red giant branch (TRGB) provides a luminous standard candle for constructing distance ladders to measure the Hubble constant. In practice, its measurements via edge-detection response (EDR) are complicated by the apparent fuzziness of the tip and the multipeak landscape of the EDR. Previously, we optimized an unsupervised algorithm, Comparative Analysis of TRGBs, to minimize the variance among multiple halo fields per host without relying on individualized choices, achieving state-of-the-art ~<0.05 mag distance measures for optimal data. Here we apply this algorithm to an expanded sample of SN Ia hosts to standardize these to multiple fields in the geometric anchor, NGC 4258. In concert with the Pantheon+ SN Ia sample, this analysis produces a (baseline) result of H 0 = 73.22 ± 2.06 km s -1 Mpc -1 . The largest difference in H 0 between this and similar studies employing the TRGB derives from corrections for SN survey differences and local flows used in the most recent SN Ia compilations that were absent in earlier studies. The SN-related differences total ~2.0 km s -1 Mpc -1 . A smaller share, ~1.4 km s -1 Mpc -1 , results from the inhomogeneity of the TRGB calibration across the distance ladder. We employ a grid of 108 variants around the optimal TRGB algorithm and find that the median of the variants is 72.94 ± 1.98 km s -1 Mpc -1 with an additional uncertainty due to algorithm choices of 0.83 km s -1 Mpc -1 . None of these TRGB variants result in an H 0 of less than 71.6 km s -1 Mpc -1 .

79 ASTRONOMY AND ASTROPHYSICS↗

Optimal contracting structure between cellulosic biorefineries and farmers to reduce the impact of biomass supply variation: game theoretic analysis

There is considerable year–to–year variability in the supply of cellulosic biomass used in the production of cellulosic biofuels, yet strategies to mitigate these variations in biofuel development are not well understood. Biorefineries and farmers venturing into the cellulosic biofuel industry will require biomass supply and contracting strategies that can minimize the impact of these large variations. Some studies have proposed biomass pre–treatment and storage to address biomass supply variations. Other studies have used transportation modeling approaches to manage supply variations and select the optimal location of a cellulosic biorefinery. However, storage, pre–treatment, and similar engineering approaches lead to higher costs and have other limitations such as additional infrastructural requirements. There is a gap in understanding how contracting strategies between biorefineries and the biomass suppliers (farmers) can reduce the risks with biomass supply variations. In this study, the contracting structure between biorefineries and biomass suppliers is studied under different market structures for the US Corn Belt. A theoretical framework is then developed to use contracting strategies for mitigating the impact of biomass supply variations. First, the trade–offs between intricately linked components of biomass cost, such as biomass transport, biomass price (incentive) to suppliers, variation in biomass supply, biorefinery size, and alternative feedstock availability are examined. Next, an optimal contracting structure is developed between biorefineries and biomass suppliers using game theoretic analysis. Here, the results show that both the impact of biomass supply variations and the overall biomass cost can be significantly reduced through the use of the optimal contracting strategy between biorefineries and suppliers.

cellulosic biofuel↗

Performance and cost analysis of liquid fuel production from H 2 and CO 2 based on the Fischer-Tropsch process

Electro-fuels can be produced from concentrated sources of carbon dioxide and hydrogen using electricity generated from renewable sources; this process enables energy storage at high volumetric energy density. Among the electro-fuels options, FT (Fischer-Tropsch) fuel is attractive for heavy-duty trucks and non-road transportation applications. This study conducts a techno-economic analysis of FT liquid fuel production from H 2 and CO 2 using a detailed performance analysis. Minimum fuel selling price is estimated for a broad range of H 2 and CO 2 prices and for a range of potential CO 2 credits. The analysis indicates that H 2 price has the largest impact on the minimum selling price of FT fuel. FT fuel production with a CO 2 price of $17.3/metric ton requires an H 2 price of $0.8/kg to be cost-competitive with the pre-tax petroleum diesel price of $3.1/gal in 2050 (before the application of any CO 2 credits). When the H 2 price is $2.0/kg from central water electrolysis (2020 target), the minimum selling price of the FT fuel is $5.4–5.9/gal. A sensitivity analysis shows that future system optimization of FT fuel production could focus on improving the H 2 and CO 2 recycle contributions and FT fuel conversion ratio. The analysis results can be combined with various upstream systems for H 2 and CO 2 production.

08 HYDROGEN↗

Real-Time Drilling Optimization System for Improved Overall Rate of Penetration and Reduced Cost Per Foot in Geothermal Drilling

The key to success in geothermal drilling is economic feasibility, and a major cost in the development of geothermal resources is the actual drilling of the wells. In this project, a real-time drilling optimization system for geothermal drilling was developed. The system couples three individual components while drilling. The first component is a drill stem vibration analysis model, the second is Mechanical Specific Energy (MSE) analyses, and the third is a detailed PDC Rate of Penetration (ROP) drill bit model for optimum RPM and WOB combinations. The benefit of the coupled system is that the range of WOB and RPM could be selected to avoid drill stem vibrations. Secondly, MSE is used as an efficiency measure and the detailed PDC drill bit model ensures the drill bit does not endure temperatures that exceed the temperature at which the PDC cutters experience accelerated wear. The new detailed PDC bit model is based on rock/bit interaction that physically tracks the PDC cutter wear flats as the bit drills ahead giving the capability to calculate the temperature being generated underneath the worn cutters to better advise on operational parameters to avoid accelerated cutter wear and failure and to ensure that operational parameters are applied so that overall ROP is maximized. By combining the drill stem vibrations and the detailed PDC bit cutter wear and “safe” non-accelerated cutter wear temperature and optimum ranges of operating parameters, it results in higher ROP and lower cost drilling. Single cutter PDC testing performed in different lithologies at Sandia was utilized to verify the PDC cutter forces and depth of cut for new and worn cutters. Based on single cutter PDC temperature modeling, verification using single cutter data from the testing done by National Oilwell Varco (NOV) was performed. Sandia’s Hard-Rock Drilling Facility (HRDF) was utilized to test different drill bit configurations with different cutter designs and wear status with different induced modes of vibration to obtain the critical bit RPM/WOB ranges resulting in ineffective drilling and low ROP. The collected test data were further used to verify and calibrate the full hole PDC ROP model that was developed based on single cutter interaction data. A full coupled drill stem vibration model was formulated and verified with geothermal field data from the Chocolate Mountain Aerial Gunnery Range (CMAGR). A graphical user interface (GUI) was developed using Tkinter library in the computer programming language Python, which integrates all the developed models in one system. The developed system consists mainly of the PDC ROP model, PDC bit wear model, PDC cutter temperature model, Mechanical Specific Energy (MSE) model, and drillstring vibration model integrated into one system. The developed system can be used for both, post well analysis and real-time optimization using different criteria such as ROP maximization or MSE minimization. The software uses Differential Evolution Algorithm (DEA) to find optimum values for operational parameters based on last foot drilled while avoiding the drillstring vibration and cutter temperature critical operating parameters.

15 GEOTHERMAL ENERGY↗