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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 37 records · Page 2

Noise analysis of optimized Ge/Ge{sub 1−x}Sn{sub x}/Ge p–n–p heterojunction phototransistors for long-wavelength optical receivers

Present literature investigates noise analysis and optimal design for Ge/Ge{sub 1−x}Sn{sub x}/Ge based p–n–p heterojunction phototransistors (HPT) for long-wavelength optical receivers. We calculate gain, noise powers, signal-to-noise ratio, absorption coefficient and optical responsivity of proposed GeSn-based HPT and investigate their dependence on various structural parameters to optimize the design. The proposed HPT incorporates Ge{sub 1−x}Sn{sub x} alloy in the base layer as the active layer, allow to extend the photo detection range from near infrared to mid-infrared to achieve a wide range of detection. The results show that the signal-to-noise ratio (SNR) is strongly dependent on the operating frequency and the introduction of Sn in the base layer can improve the signal-to-noise ratio in the high-frequency region. The calculated results also show that even in the presence of small defects and misfit dislocations at the heterointerfaces, high SNR is still achievable for the proposed structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Multi-scale and multi-physics analysis, design optimization, and experimental validation of heat exchangers utilizing high performance, non-round tubes

Air-to-refrigerant heat exchangers (HXs) are fundamental components in HVAC&R systems, and considerable research has been dedicated designing continually smaller, lighter, and more efficient HX designs. In recent years, researchers have leveraged advancements in Computational Fluid Dynamics (CFD), Finite Element Analysis (FEA), and optimization algorithms to consider primary tube shape and topology optimization to design highly compact, high performance HXs for a multitude of applications. In this research, we present a computationally efficient, comprehensive, multi-scale, and multi-physics analysis and optimization method for air-to-refrigerant HXs featuring automated CFD and FEA simulations and approximation-assisted optimization. This methodology was utilized to design HXs with shape-optimized, non-round tubes which outperform current state-of-the-art tube-fin HXs without compromising structural integrity. The optimal HXs were shown to deliver similar thermal performance to the baseline HXs while also achieving more than 20% reductions in airside pressure drop and core envelope volume and more than 30% reduction in internal volume. Comprehensive experimental validation of the optimization methodology was conducted through the testing of two prototypes in a standardized wind tunnel facility under multiple operating conditions. For prototype #1 under dry evaporator conditions, the predicted heat load agreed within ± 10% of measured values and the predicted airside pressure drop agreed within ± 30%, while for dehumidifying conditions, the predicted sensible and latent heat loads agreed within ± 10% and ± 20% of the measured values, respectively. For prototype #2, the predicted condenser heat load agreed within ± 3.0% of measured values, and the predicted airside pressure drop agreed within ± 27%. The acceptable agreement between simulation and experimental results for the present application highlights the flexibility of the novel optimization methodology to design next generation HXs with improved performance and reduced volume, weight, and environmental impact.

42 ENGINEERING↗

Coupled Target-Beam-Moderator Optimization for the Second Target Station

This report describes the results for a coupled target-beam-moderator optimization analysis for the Second Target Station (STS) at ORNL's Spallation Neutron Source. This study is a continuation of the optimization analysis for the moderators in the preliminary design of STS performed in 2022. In the 2022 analysis the dimensions of the moderators are parameterized, while the target and the proton beam profile are kept constant. In this analysis the target height and the proton beam profile are added as parameters. This allows to study the coupled effects of changing target, moderator and beam dimensions. Similar to the 2022 analysis, this work is performed with an automated optimization workflow that uses the optimization toolbox DAKOTA, parameterized geometries in CREO and SpaceClaim, the unstructured mesh generation in Attila4MC, and the particle transport code MCNP6.2©. This workflow enables an efficient optimization using high-fidelity geometries. The main conclusions of this analysis are the following: • Coupled beam-target-moderator optimization provides a few additional percent performance gain over stand-alone moderator optimization. • The moderator performance is not very sensitive to the target height (between ≈60 and ≈80 mm) as long as the beam profile is chosen adequately. • The moderator performance is sensitive to the choice of beam spatial standard deviations, even when the footprint is kept constant. • The optimal moderator radius is the same for a beam footprint of 30 cm 2 , 62.5 cm 2 , and 90 cm 2 . Also the slope of the super-gaussian beam profile does not significantly impact the optimal moderator radius. • The optimal parameters and sensitivities are very similar to the 2022 optimization analysis. These results only indicate a a difference in the optimal radius of the cylindrical moderator, however, this has been corrected in the final design moderator optimization. The main purpose of this report is to document the simulations, results and lessons learned. The most impactful results are summarized in. We also note that the target geometry used in this work is not the final design.

43 PARTICLE ACCELERATORS↗

An automated analysis workflow for optimization of force-field parameters using neutron scattering data

Graphical abstract: - Highlights: • An automated workflow to optimize force-field parameters. • Used the workflow to optimize force-field parameter for a system containing nanodiamond and tRNA. • The mechanism relies on molecular dynamics simulation and neutron scattering experimental data. • The workflow can be generalized to any other experimental and simulation techniques. - Abstract: Large-scale simulations and data analysis are often required to explain neutron scattering experiments to establish a connection between the fundamental physics at the nanoscale and data probed by neutrons. However, to perform simulations at experimental conditions it is critical to use correct force-field (FF) parameters which are unfortunately not available for most complex experimental systems. In this work, we have developed a workflow optimization technique to provide optimized FF parameters by comparing molecular dynamics (MD) to neutron scattering data. We describe the workflow in detail by using an example system consisting of tRNA and hydrophilic nanodiamonds in a deuterated water (D{sub 2}O) environment. Quasi-elastic neutron scattering (QENS) data show a faster motion of the tRNA in the presence of nanodiamond than without the ND. To compare the QENS and MD results quantitatively, a proper choice of FF parameters is necessary. We use an efficient workflow to optimize the FF parameters between the hydrophilic nanodiamond and water by comparing to the QENS data. Our results show that we can obtain accurate FF parameters by using this technique. The workflow can be generalized to other types of neutron data for FF optimization, such as vibrational spectroscopy and spin echo.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of Hydrocyclone Geometry via Rapid Optimization Based on Computational Fluid Dynamics

Abstract Hydrocyclones exploit density gradients for the centrifugal separation of dispersions in a continuous liquid. Selection of the geometrics for optimal separation is case specific, like the media characteristics. The existing optimization method based on computational fluid dynamics (CFD) provides a powerful analytical tool but requires long computational times. The most common praxis for CFD optimization is via the single‐factor optimization method (SFOM). In this study, a novel approach is presented as an improved rapid optimization method that implements a dynamic‐mesh and user‐defined function optimization method (DUOM). The DUOM adapts the dynamic‐mesh approach from other applications to the optimization analysis of hydrocyclones. The DUOM reduced the computational time by 31.1 %, compared to the SFOM.

Liu, Lin↗

Modeling, analysis, and optimization of complex nuclear processes and facilities via computational methods: The HALEU process case study

Improving and adapting industrial systems to timely meet changing programmatic and market demands is an important goal to achieve, including when operating and maintaining complex nuclear processes and facilities. However, changes to these complex systems are costly, particularly when they are already in place and bounded to stringent requirements and constraints such as when handling radioactive material and contaminated equipment. These conditions often exist when treating spent nuclear fuel remotely within shielded nuclear radiation chambers, commonly referred as hot cells, to condition nuclear material and/or fabricate products for utilization in other nuclear enterprises such as in the manufacture of advanced nuclear fuel. The illustrative case considered here is the production of high assay low enriched uranium (HALEU) products supporting the deployment of advanced nuclear reactors. For the HALEU program, resources invested were and are being systematically analyzed so that these investments are maximized in a facility that is nearly 60 years old. A methodology that has effectively enabled optimized and improvements in the Spent Fuel Treatment (SFT) program, and consequently the HALEU program, involves discrete event simulation as addressed in this article. Here, the quantification of multiple productivity metrics, including material processing rates, cycle times, bottlenecks, number of material transfers as well as equipment, workstation, and material handling utilization, has resulted in a myriad of diverse discoveries and data-informed decisions regarding process layout and constituent, labor levels and schedules, selection of new process units, storage needs, and other critical process configurations. This article describes such a computational capability being applied for decision-making, illustrates its application to an actual process and program, provides illustrative results, and argues how computational methods for the modeling, analysis, and optimization of complex processes and facilities does lead to informed decisions derived from data and not only from intuition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SEAFORML (Smart Exploration and Analysis For Optimal and Robust Machine Learning)

The poster discusses data analysis of the WAVgraph database and applied machine learning methods for it. The database is a long-term project that seeks to be a comprehensive repository of information on cyber threats and is updated regularly. It was previously unanalyzed and unexplored. The goal was to learn more about it and its contents in order to have a better understanding and enable better use. The data analysis and discovery enabled further exploration through natural language processing, similarity, and clustering methods. The poster shows some of the insights from the analysis and explains the methods used for the machine learning applications.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Parametric analysis and optimization of CO 2 trans-critical cycle for chiller application in a warm climate

This article presents parametric analysis and subsequent optimization of a CO 2 trans-critical chiller system operating in a warm climate. Additionally, high side pressure and gas cooler face velocities are two controllable parameters investigated. COP of the system is analyzed and optimized using a developed and validated mathematical model. The mean relative error of prediction in COP is found to be within ±10% for physics-based model and within ±1% for Artificial Neural Network (ANN) based model of the experimental findings. The validated mathematical model is utilized to predict optimal high side pressure as well as gas cooler face velocity for the varying ambient and evaporation conditions to achieve best possible COP. A possibility of 5.31% improvement in COP is found based on the optimization of parameters. In conclusion, the proposed methodology is deemed suitable for design and testing of control system for maximization of energy efficiency.

42 ENGINEERING↗

Economic Analysis and Optimal Sizing for behind-the-meter Battery Storage

This paper proposes methods to estimate the potential benefits and determine the optimal energy and power capacity for behind-the-meter BSS. In the proposed method, a linear programming is first formulated only using typical load profiles, energy/demand charge rates, and a set of battery parameters to determine the maximum saving in electric energy cost. The optimization formulation is then adapted to include battery cost as a function of its power and energy capacity in order to capture the trade-off between benefits and cost, and therefore to determine the most economic battery size. Using the proposed methods, economic analysis and optimal sizing have been performed for a few commercial buildings and utility rate structures that are representative of those found in the various regions of the Continental United States. The key factors that affect the economic benefits and optimal size have been identified. The proposed methods and case study results cannot only help commercial and industrial customers or battery vendors to evaluate and size the storage system for behind-the-meter application, but can also assist utilities and policy makers to design electricity rate or subsidies to promote the development of energy storage.

Wu, Di↗

Thermal performance analysis of optimized hexagonal finned heat sinks in impinging air jet

In this study, thermal performance analysis of hexagonal finned heat sinks which optimized according to the experimental design and optimization method of Taguchi were investigated. Experiments of air jet impingement on heated hexagonal finned heat sinks were carried out adhering to the L{sub 18}(2{sup 1*}3{sup 6}) orthogonal array test plan. Optimum geometries were determined and named OH-1, OH-2. Enhancement efficiency with the first law of thermodynamics was analyzed for optimized heat sinks with 100, 150, 200 mm heights of hexagonal fin. Nusselt correlations were found out and variations of enhancement efficiency with Reynolds number presented in η–Re graphics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Techno-Economic Analysis and Optimization of Integrated NGCC-MEA System at High CO2 Capture Levels

This poster contains preliminary results for an ongoing analysis of modeling and optimization of an NGCC plant with a solvent-based CO2 capture system with high levels of CO2 capture – up to and beyond net-zero emissions. The work was performed to understand the incremental cost of high capture in order to compare with direct-air capture and other net-negative technologies, as well as to understand optimal operation and design of the CCS unit to achieve high capture with minimal increase in cost.

Deshpande, Anuja↗

Towards Efficient Alternating Current Optimal Power Flow Analysis on Graphical Processing Units

We present a solution of sparse ACOPF analysis on GPU. In particular, we discuss the performance bottlenecks and detail our efforts to accelerate the linear solver, a core component of ACOPF that dominates the computational time. ACOPF solutions of two large-scale systems, synthetic Northeast (25,000 buses) and Eastern (70,000 buses) \cite{birchfield2017tamu-cases} on GPU show promising speed-up compared to CPU based solution using a state-of-the-art solver. To our knowledge, this is the first result demonstrating acceleration of sparse ACOPF on GPUs.

Power grid analysis, GPU↗

Thermodynamic analysis and optimization of supercritical carbon dioxide Brayton cycles for use with low-grade geothermal heat sources

The transcritical carbon dioxide Rankine cycle has emerged as an alternative for power generation in low-grade heat applications. However, the low heat rejection temperatures required for condensing the carbon dioxide is almost prohibitive for many locations. A simple solution is the adoption of a supercritical carbon dioxide Brayton cycle which does not need such low temperature heat sinks. This power cycle has been poorly studied previously in low-grade heat applications. Therefore, with the aim of determining the performance and feasibility of the supercritical carbon dioxide Brayton cycle from thermodynamic viewpoint, using a low-grade geothermal heat source, this paper presents a comparative thermodynamic analysis between four different supercritical carbon dioxide Brayton cycles. For this purpose, detailed models were developed and solved by coupling the thermodynamic model with the thermal-hydraulic model of a Printed Circuit Heat Exchanger. Subsequently, simulations of a base case, a parametric analysis, and an optimization using Genetic Algorithms, were carried out. Results show that there is a combination of operating conditions that maximizes the electrical output of the system. Besides, some values of the minimum pressure of the cycles can increase substantially the precooler cooling water pumping power. At the optimum design point, using a 20 kg/s geothermal brine stream at 150 °C as heat source with a minimum allowable reinjection temperature of 70 °C, the Intercooled Recuperated Brayton Cycle achieved the highest electric power output, energy and exergy efficiencies, obtaining values of 779.99 kW, 11.51%, and 52.49%, respectively. The other feasible alternatives were the Recuperated Brayton Cycle, the Simple Brayton Cycle and the Intercooled Brayton Cycle, ranked, in that order.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

MetaHeuristic Feature Selection for Energy Group Optimization and Analysis

Energy discretization is a crucial component of deterministic neutron transport simulations. Metaheuristic (MH) optimizers are effective algorithms to determine group structures that maximize both solution accuracy and computational efficiency. This project establishes a framework for optimizing group structures for PARTISN simulations using the Python library MEALPY. Group structure optimization is formulated as a binary feature selection problem, and results are investigated with permutation and material importance techniques to determine physically relevant energy bounds. We conclude that MH optimizers find group structures that drastically improve flux calculations while preserving k-effective accuracy. Further, we find that individual energy bounds are not necessarily physically relevant, but rather specific energy ranges are.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantitative Particle Analysis of Neptunium-237 Oxides: Optimization of MAMA Analysis for Modified Direct Denitration Products

The production of plutonium-238 through irradiation of neptunium-237 ( 237 Np) target materials for the use in radioisotope thermoelectric generators is paramount for continued deep space exploration. This work employs scanning electron microscopy to analyze 237 Np materials coupled with a well-developed image analysis framework (Morphological Analysis for Material Attribution, or MAMA) to determine the degree of micron-scale homogeneity in the materials. This work demonstrated how the quantification of particle characteristics can validate production materials and affirm the qualitative similarities observed in micrographs. The 237 Np oxide particle analysis determined that the materials from five production runs were quantitatively homogenous (significant at α = 0.05) in particle area, circularity, equivalent circular diameter, and ellipse aspect ratio, with two of the sampling dates having statistically significant different means for one of the four characteristics. Furthermore, these metrics not only confirm general homogeneity of the material but also expand the application of MAMA workflows to 237 Np materials, demonstrating the utility of MAMA analysis for a wider breadth of nuclear materials than previously reported. In the open literature, this study is the first time that these microanalytical techniques were applied to 237 Np materials to this degree.

MAMA↗

Performance Analysis and Optimization for Scientific Data Workloads

Scientific data generated at experimental and observational facilities are increasingly being processed on large-scale compute systems. Most of the experimental data analysis workflows are not designed or implemented to run on large scale environments and take full advantage of HPC compute and storage resources. These applications are unlike the traditional tightly-coupled scientific applications and hence face significant performance and scalability challenges as the volume of data increases exponentially. In this paper, we conduct a performance and scalability analysis for experimental analysis applications and workflows operating on data from light sources. Our analysis detects and quantifies I/O performance, scalability and runtime bottlenecks for three data analysis applications that run on NERSC resources. Based on our analysis we propose and implement a set of optimizations that lead to reducing the amount of time spent on I/O operations by almost 90%.

97 MATHEMATICS AND COMPUTING↗

Ex situ metrology and data analysis for optimization of beamline performance of aspherical pre-shaped x-ray mirrors at the advanced light source

Super high quality aspherical x-ray mirrors with a residual slope error of ~100 nrad (root-mean-square) and a height error of ~1-2 nm (peak-to-valley), and even lower, are now available from a number of the most advanced vendors utilizing deterministic polishing techniques. The mirror specification for the fabrication is based on the simulations of the desired performance of the mirror in the beamline optical system and is normally given with the acceptable level of deviation of the mirror figure and finish from the desired ideal shape. For example, in the case of aspherical x-ray mirrors designed for the Advanced Light Source (ALS) QERLIN beamline, the ideal shape is defined with the beamline application (conjugate) parameters and their tolerances. Here, we first introduce an original procedure and dedicated software developed at the ALS X-Ray Optics Laboratory (XROL) for optimization of beamline performance of pre-shaped hyperbolic and elliptical mirrors. The optimization is based on results of ex situ surface slope metrology and consists in minimization of the mirror shape error by determining the conjugate parameters of the best-fit ideal shape within the specified tolerances. We describe novel optical metrology instrumentation, measuring techniques, and analytical methods used at the XROL for acquisition of surface slope data and optimization of the optic’s beamline performance. The high efficacy of the developed experimental methods and data analysis procedures is reflected in results of measurements with and performance optimization of hyperbolic and elliptical cylinder mirrors designed and fabricated for the ALS QERLIN beamline.

47 OTHER INSTRUMENTATION↗

Extended Fayans energy density functional: optimization and analysis

The Fayans energy density functional (EDF) has been very successful in describing global nuclear properties (binding energies, charge radii, and especially differences of radii) within nuclear density functional theory. In a recent study, supervised machine learning methods were used to calibrate the Fayans EDF. Building on this experience, in this work we explore the effect of adding isovector pairing terms, which are responsible for different proton and neutron pairing fields, by comparing a 13D model without the isovector pairing term against the extended 14D model. At the heart of the calibration is a carefully selected heterogeneous dataset of experimental observables representing ground-state properties of spherical even–even nuclei. To quantify the impact of the calibration dataset on model parameters and the importance of the new terms, we carry out advanced sensitivity and correlation analysis on both models. The extension to 14D improves the overall quality of the model by about 30%. The enhanced degrees of freedom of the 14D model reduce correlations between model parameters and enhance sensitivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗