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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra

Modern 4-wave mixing spectroscopies are expensive to obtain experimentally and computationally. In certain cases, the unfavorable scaling of quantum dynamics problems can be improved using a generalized quantum master equation (GQME) approach. However, the inclusion of multiple (light–matter) interactions complicates the equation of motion and leads to seemingly unavoidable cubic scaling in time. In this paper, we present a formulation that greatly simplifies and reduces the computational cost of previous work that extended the GQME framework to treat arbitrary numbers of quantum measurements. Specifically, we remove the time derivatives of quantum correlation functions from the modified Mori–Nakajima–Zwanzig framework by switching to a discrete-convolution implementation inspired by the transfer tensor approach. We then demonstrate the method’s capabilities by simulating 2D electronic spectra for the excitation-energy-transfer dimer model. In our method, the resolution of data can be arbitrarily coarsened, especially along the t2 axis, which mirrors how the data are obtained experimentally. Even in a modest case, this demands O(103) fewer data points. We are further able to decompose the spectra into one-, two-, and three-time correlations, showing how and when the system enters a Markovian regime where further measurements are unnecessary to predict future spectra and the scaling becomes quadratic. This offers the ability to generate long-time spectra using only short-time data, enabling access to timescales previously beyond the reach of standard methodologies.

Chemistry↗
DOE OSTI2020

Assessment of the Material Performance for TCR Applications (Progress Report)

The objective of Argonne’s materials research activities for the Transformational Challenge Reactor (TCR) program is to improve the understanding of material properties from additive manufacturing with the focus on understanding the creep and fatigue properties of additively manufactured materials. The material work conducted by Argonne provides support in developing and qualifying advanced materials and manufacturing processes to allow for innovative reactor design and licensing for the TCR. In FY 2020, Oak Ridge National Laboratory (ORNL) provided six ASTM standard sized creep specimens of additively-manufactured 316L stainless steel (AM 316L SS) for evaluation of the effect of post-build heat treatment on the creep property. Two different teat treatments were conducted on the as-built specimens, namely 1050°C/1h and 650°C/1h before creep testing. All specimens were creep tested at 550°C and 275 MPa to understand the effect of heat treatments. We have also received AM 316L SS printed in various forms including rods and sheets, wrought 316 L SS (as a reference material), and AM IN718 for tensile, creep and fatigue testing. Both ASTM standard sized specimens and subsized specimens are being fabricated or tested to contribute to a comprehensive mechanical property database of AM materials and to provide location-specific property data to the TCR digital platform. Mechanical testing at Argonne is conducted to ASME NQA-1 or its lab equivalent for quality assurance. This report presents the results of the creep tests at 550°C and microstructural characterization for the assessment of the effect of the post-build heat treatment on the creep behavior of AM 316L SS. It also discusses ongoing efforts on obtaining location-dependent properties of AM 316L SS.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nonlinear magnetohydrodynamic modeling of ideal ballooning modes in high- β Wendelstein 7-X plasmas

We present nonlinear magnetohydrodynamic (MHD) simulations of high- β Wendelstein 7-X plasmas using the stellarator extension of the M3D- C 1 code, building on the recent work that shows benign saturation of ideal ballooning modes above the designed β limit in the standard configuration [Zhou et al., Phys. Rev. Lett. 133, 135102 (2024)]. First, we examine the results' sensitivity to the parallel thermal conductivity. It is found that while an increased parallel conductivity reduces the linear growth rate, the saturated pressure profile is barely affected. Second, we consider the dependence on the profile shape. It is shown that an equilibrium with a peaked pressure profile and lower β is subject to more significant change than a broad profile with higher β and a larger growth rate, suggesting that benign saturation, or nonlinear stability, is not guaranteed and not dictated by linear growth. Third, we study the influence of the magnetic configuration, with the equilibrium rotational transform varied by adjusting the planar coil current. With similar growth rates, similar magnitudes of profile change are found regardless of the presence of a low-order resonance, which implies that the saturation mechanism is not specific to a resonant or non-resonant mode. These results indicate that MHD stability should still be treated seriously in stellarator operation and design, for which nonlinear modeling using tools like M3D- C 1 can play an instrumental role.

Zhou, Yao [Shanghai Jiao Tong University (China)] ↗
DOE OSTI2020

Neutral-current neutrino scattering from the deuteron

Neutral-current neutrino scattering from the deuteron leading to proton-neutron final states is considered using an approach that incorporates relativistic dynamics and consequently provides robust modeling at relatively high energies and momenta. In this work the focus is placed on the fully exclusive reaction where both the proton and neutron in the final state are assumed to be detected. Accordingly, the incident neutrino energy, the neutrino scattering angle and the scattered neutrino's energy can all be reconstructed. It is shown that for specific choices of kinematics the reaction proceeds mainly via scattering from the proton, while for other choices of kinematics it proceeds mainly from the neutron. Specific asymmetries are introduced to focus on these attributes. Measurements in both regions have the potential to yield valuable information on the nucleon's electroweak form factors at momentum transfers up to a (GeV/c)$^2$. In particular, the cross sections are shown to be very sensitive to the isoscalar axial-vector form factor, and sensitive but less so to the magnetic strangeness form factor. Comparisons with other reactions, specifically charge-changing neutrino reactions and both parity-conserving and -violating electron scattering, have the potential to provide new ways to test the Standard Model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Physiological Adaptations to Progressive Endurance Exercise Training in Adult and Aged Rats: Insights from the Molecular Transducers of Physical Activity Consortium (MoTrPAC)

While regular physical activity is a cornerstone of health, wellness, and vitality, the impact of endurance exercise training on molecular signaling within and across tissues remains to be delineated. The Molecular Transducers of Physical Activity Consortium (MoTrPAC) was established to characterize molecular networks underlying the adaptive response to exercise. Here, we describe the endurance exercise training studies undertaken by the Preclinical Animal Sites Studies component of MoTrPAC, in which we sought to develop and implement a standardized endurance exercise protocol in a large cohort of rats. To this end, Adult (6-mo) and Aged (18-mo) female (n = 151) and male (n = 143) Fischer 344 rats were subjected to progressive treadmill training (5 d/wk, ~70%–75% VO 2 max) for 1, 2, 4, or 8 wk; sedentary rats were studied as the control group. A total of 18 solid tissues, as well as blood, plasma, and feces, were collected to establish a publicly accessible biorepository and for extensive omics-based analyses by MoTrPAC. Treadmill training was highly effective, with robust improvements in skeletal muscle citrate synthase activity in as little as 1–2 wk and improvements in maximum run speed and maximal oxygen uptake by 4–8 wk. For body mass and composition, notable age- and sex-dependent responses were observed. This work in mature, treadmill-trained rats represents the most comprehensive and publicly accessible tissue biorepository, to date, and provides an unprecedented resource for studying temporal-, sex-, and age-specific responses to endurance exercise training in a preclinical rat model.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Reducing module soiling with scalable and robust photocatalytic coatings

The air-glass interface at the front of a photovoltaic (PV) module reflects approximately 4% of incident light, decreasing the potential power output of the module by the same amount. Today’s modules reduce this loss by adding a low-refractive-index (1.25-1.30) SiO2 coating to the sunward side of the module glass; this antireflection coating recovers approximately 3% of the 4% light that would otherwise be lost. While such antireflection coatings work very well on clean, new modules, they do not inhibit soiling—the accumulation of soilants such as dust, pollen, soot, or other foreign material—on the module glass, and soilants reflect and scatter incident light. An improved coating would serve provide not only an antireflection effect, but also an anti-soiling effect. The goal of this project was to develop such a coating and provide a path for it to be manufactured in the U.S. The project successfully designed and fabricated coatings that provided >3% transmittance gain compared to bare glass (matching the performance of commercial antireflection coatings) and displayed anti-soiling behavior in standard laboratory soiling effects. This was achieved by using a Swift Coat proprietary coating deposition technique, aerosol impact-driven assembly (AIDA), to control the porosity and thus refractive index of coatings of photocatalytic materials—such as TiO2—that would otherwise increase (instead of decrease) reflection. These combined antireflection/anti-soiling coatings passed PV industry standard module reliability tests as well as coating-specific abrasion tests, showing that they have the durability needed for decades in the field. Swift Coat scaled the AIDA hardware and deposition process to make mini-modules that were monitored for nearly two years during field tests administered by a third party, as well as demonstrated scaling to the widths of full-sized modules. The fielded mini-modules outperformed reference modules (with commercial antireflection coatings) in two locations, providing a 1% absolute average performance boost and larger increases during periods of heavier soiling. Swift Coat’s cost analysis indicated a coating manufacturing cost below the sales price of today’s antireflection coatings. More than five module manufacturers sampled and assessed the coatings, and three provided letters of support. The coating developed in this project increases the energy output of PV modules, thereby decreasing the cost per kilowatt-hour of solar energy generated. Cheaper solar electricity benefits the public by accelerating the transition to a stable, affordable, carbon-free energy economy. In addition, for select applications in which PV modules are highly visible—such as on residential rooftops—the coating provides an aesthetic benefit because it stays cleaner than today’s modules. Finally, Swift Coat and its prospective customers are U.S. companies, and successful commercialization of this technology will provide U.S. jobs and a secure solar supply chain.

14 SOLAR ENERGY↗
DOE OSTI2024

Two-dimensional coherent spectrum of high-spin models via a quantum computing approach

Here in this work we present and benchmark a quantum computing approach to calculate the two-dimensional coherent spectrum (2DCS) of high-spin models. Our approach is based on simulating their real-time dynamics in the presence of several magnetic field pulses, which are spaced in time. We utilize the adaptive variational quantum dynamics simulation algorithm for the study due to its compact circuits, which enables simulations over sufficiently long times to achieve the required resolution in frequency space. Specifically, we consider an antiferromagnetic quantum spin model that incorporates Dzyaloshinskii-Moriya interactions and single-ion anisotropy. The obtained 2DCS spectra exhibit distinct peaks at multiples of the magnon frequency, arising from transitions between different eigenstates of the unperturbed Hamiltonian. By comparing the one-dimensional coherent spectrum with 2DCS, we demonstrate that 2DCS provides a higher resolution of the energy spectrum. We further investigate how the quantum resources scale with the magnitude of the spin using two different binary encodings of the high-spin operators: the standard binary encoding and the Gray code. At low magnetic fields both encodings require comparable quantum resources, but at larger field strengths the Gray code is advantageous. Numerical simulations for spin models with increasing number of sites indicate a polynomial system-size scaling for quantum resources. Lastly, we compare the numerical 2DCS with experimental results on a rare-earth orthoferrite system. The observed strength of the magnonic high-harmonic generation signals in the 2DCS of the quantum high-spin model aligns well with the experimental data, showing significant improvement over the corresponding mean-field results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Production of mechanically-generated 316L stainless steel feedstock and its performance in directed energy deposition processing as compared to gas-atomized powder

The objective of this work is to study the feasibility of mechanically-generated feedstock for use in directed energy deposition (DED) processing. Mechanically-generated powder was created by machining 316L stainless steel bar stock followed by comminution of the resulting chips through oscillation ball milling. This methodology's production yield and processing time for the specifications of a commercially available DED system are presented along with resulting powder morphology. Performance of the mechanically-generated feedstock was compared to gas-atomized powder and evaluated based on the following figures of merit: flowability, printed part height, printed part density, and chemical compositional stability throughout processing. Mechanically-generated feedstock was created to meet deposition system requirements. Compared with gas-atomized powder, mechanically-generated powder did not flow as well through the powder-delivery system. Parts printed from mechanically-generated feedstock were generally taller than their counterparts from gas-atomized feedstock, but their densities were less predictable. As a result, chemical composition of prints using both feedstocks was within standard nominal compositions for 316L stainless steel.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A proposed framework for the development and qualitative evaluation of West Nile virus models and their application to local public health decision-making

West Nile virus (WNV) is a globally distributed mosquito-borne virus of great public health concern. The number of WNV human cases and mosquito infection patterns vary in space and time. Many statistical models have been developed to understand and predict WNV geographic and temporal dynamics. However, these modeling efforts have been disjointed with little model comparison and inconsistent validation. In this paper, we describe a framework to unify and standardize WNV modeling efforts nationwide. WNV risk, detection, or warning models for this review were solicited from active research groups working in different regions of the United States. A total of 13 models were selected and described. The spatial and temporal scales of each model were compared to guide the timing and the locations for mosquito and virus surveillance, to support mosquito vector control decisions, and to assist in conducting public health outreach campaigns at multiple scales of decision-making. Our overarching goal is to bridge the existing gap between model development, which is usually conducted as an academic exercise, and practical model applications, which occur at state, tribal, local, or territorial public health and mosquito control agency levels. The proposed model assessment and comparison framework helps clarify the value of individual models for decision-making and identifies the appropriate temporal and spatial scope of each model. This qualitative evaluation clearly identifies gaps in linking models to applied decisions and sets the stage for a quantitative comparison of models. Specifically, whereas many coarse-grained models (county resolution or greater) have been developed, the greatest need is for fine-grained, short-term planning models (m–km, days–weeks) that remain scarce. We further recommend quantifying the value of information for each decision to identify decisions that would benefit most from model input.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Modeling Photovoltaics Innovation and Deployment Dynamics

PV’s historically rapid cost reduction is exceptional among technologies. Further cost reductions could play a major role in increasing deployment in the future. To enable such cost reductions, new modeling frameworks are needed to understand the determinants of innovation in PV. In this project, we study the mechanisms driving PV module and system cost reductions, delving deeply into the specific technological innovations that have occurred in the past and the policies that encouraged them, and also opportunities for future cost reduction and widespread deployment. The project contributes new fundamental insight on the determinants of technological innovation by developing novel methods and insights that are generalizable and can therefore be applied to other technologies. The results will allow policy makers, engineers, and other stakeholders to better prioritize their efforts and investments in the future. The project is organized around four journal articles as described below. The first article [1] identifies ‘low-level’ (e.g. conversion efficiency improvement) and ‘high- level’ (e.g. R&D efforts) mechanisms of cost reduction in PV systems (Tasks 1-4). This work builds on a previous DOE grant, where we developed a framework for technological innovation leading to PV module cost reduction [2]. We advance a method to disentangle the contributions of physical (‘hardware’) and non-physical (‘soft technology’) changes. Our results uncover reasons behind the relatively slow evolution of soft technology and can inform new innovation approaches to these technologies. The second article [3] identifies specific engineering or institutional innovations that enabled the low-level mechanisms of cost reduction in PV module and balance-of-systems (BOS) (Tasks 5, 9, 10). We identify 85 innovations and connect them to the cost variables they affected. By developing an innovations typology, this study shows the differences between the types of innovations affecting PV modules and BOS components. Finally, by analyzing the industry origins of innovations, this study also finds that PV was well-positioned within an ecosystem of continuously advancing technologies. The third article [4] studies prospective cost reduction opportunities (Task 10). We explore how design approaches that emphasize standardization and automation, such as plug-and-play PV systems, can create cost reduction opportunities by reducing interactions and speeding up activities with high process costs. We show that this can lead to cost reduction in cost components with the most untapped opportunity for improvement such as installation labor, overhead, electrical BOS, and customer acquisition. The fourth article [5] analyzes how various policies supporting PV deployment and R&D contributed to PV’s cost improvement by enabling high-level mechanisms, specific innovations, and ultimately low-level mechanisms of cost reduction (Tasks 8, 13, 14). We investigate examples from different countries and connect these policies to quantifiable cost change mechanisms. Our study sheds light on the roles that different nations played over time, through a diverse set of policy approaches.

14 SOLAR ENERGY↗
DOE OSTI2022

ANL Design Team Analysis: Transportable Modular Reactor by Balance of Plant Elimination

HolosGen LLC is developing “Holos-Quad” a transportable gas-cooled reactor, with integral load following power conversion systems equipping subcritical power modules (SPMs), fully comprised within standard transport containers. The design eliminates the Balance of Plant (BoP) and greatly simplifies the design layout. A closed-loop full Brayton gas thermodynamic cycle converts the fuel cartridges thermal energy into electricity. This ARPA-E project utilizes advanced reactor modeling tools and manufacturing-testing of a scaled SPM equipped with a surrogate fuel cartridge to eliminate the most significant technology gaps to accelerate commercialization. The Argonne Design Team contributes to the research by demonstrating feasibility of various aspects of the Holos-Quad design by performing high-fidelity neutronic modeling, and investigating various reactivity control systems. This work consists of two main tasks: evaluation of HolosGen’s design features and alternative options study for reactivity control.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

How the NRC modernized its digital I&C infrastructure and where it goes from here

The NRC first formally developed infrastructure for the review of digital instrumentation and control (I&C) systems in the 1990’s. Although, the current U.S. fleet of nuclear power plants were originally designed and constructed with analog systems, the U.S. nuclear industry has for more that thirty years been working to upgrade these older systems with modern digital systems. Digital systems have many advantages but also pose different engineering challenges and need to be reviewed by the Nuclear Regulatory Commission (NRC) in a different way. Because of this the NRC started looking at its regulatory infrastructure to see if changes needed be made to support the expanded safe use of digital systems in nuclear power plants. Several efforts in the 1990’s included a review by the National Academies’ National Research Council, a review of the impact of potential new digital systems by the NRC staff as a result of advanced reactor designs and the NRC staff’s update to the I&C section of the Standard Review Plan (SRP) (Ref 1).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Energy and Emission Prediction for Mixed-Vehicle Transit Fleets Using Multi-task and Inductive Transfer Learning

Public transit agencies are focused on making their fixed-line bus systems more energy efficient by introducing electric (EV) and hybrid (HV) vehicles to their fleets. However, because of the high upfront cost of these vehicles, most agencies are tasked with managing a mixed-fleet of internal combustion vehicles (ICEVs), EVs, and HVs. In managing mixed-fleets, agencies require accurate predictions of energy use for optimizing the assignment of vehicles to transit routes, scheduling charging, and ensuring that emission standards are met. The current state-of-the-art is to develop separate neural network models to predict energy consumption for each vehicle class. Although different vehicle classes’ energy consumption depends on a varied set of covariates, we hypothesize that there are broader generalizable patterns that govern energy consumption and emissions. In this paper, we seek to extract these patterns to aid learning to address two problems faced by transit agencies. First, in the case of a transit agency which operates many ICEVs, HVs, and EVs, we use multi-task learning (MTL) to improve accuracy of forecasting energy consumption. Second, in the case where there is a significant variation in vehicles in each category, we use inductive transfer learning (ITL) to improve predictive accuracy for vehicle class models with insufficient data. As this work is to be deployed by our partner agency, we also provide an online pipeline for joining the various sensor streams for fixed-line transit energy prediction. Here, we find that our approach outperforms vehicle-specific baselines in both the MTL and ITL settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Deep learning for morphological identification of extended radio galaxies using weak labels

Abstract The present work discusses the use of a weakly-supervised deep learning algorithm that reduces the cost of labelling pixel-level masks for complex radio galaxies with multiple components. The algorithm is trained on weak class-level labels of radio galaxies to get class activation maps (CAMs). The CAMs are further refined using an inter-pixel relations network (IRNet) to get instance segmentation masks over radio galaxies and the positions of their infrared hosts. We use data from the Australian Square Kilometre Array Pathfinder (ASKAP) telescope, specifically the Evolutionary Map of the Universe (EMU) Pilot Survey, which covered a sky area of 270 square degrees with an RMS sensitivity of 25–35 $\mu$ Jy beam $^{-1}$ . We demonstrate that weakly-supervised deep learning algorithms can achieve high accuracy in predicting pixel-level information, including masks for the extended radio emission encapsulating all galaxy components and the positions of the infrared host galaxies. We evaluate the performance of our method using mean Average Precision (mAP) across multiple classes at a standard intersection over union (IoU) threshold of 0.5. We show that the model achieves a mAP $_{50}$ of 67.5% and 76.8% for radio masks and infrared host positions, respectively. The network architecture can be found at the following link: https://github.com/Nikhel1/Gal-CAM

Astronomy & Astrophysics↗
DOE OSTI2022

Next Generation System Analysis Model Recently Added Features and Future Plans - Abstract

The Nuclear Waste Policy Act of 1982, as amended (NWPA 1982), established the federal government’s responsibility to accept spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from waste owners and generators for ultimate disposition. SNF generated by the current fleet of commercial nuclear reactors is being stored at the reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The US Department of Energy Office of Nuclear Energy (DOE-NE) is developing an Integrated Waste Management Program (IWMP) comprising a suite of options and supporting analyses to enable future informed choices. The IWMP is applying integrated waste management system architecture analysis, system engineering, and decision analysis principles to inform potential future decisions regarding potential nuclear waste management system architectures. Architecture analyses of the IWM system are being conducted to support the future deployment of a comprehensive system for managing nuclear waste that considers all major aspects of the back end of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool designed for the express purpose of modeling the IWM system. NGSAM imports data from the Oak Ridge National Laboratory (ORNL) Unified Database (e.g., historic assembly information, thermal profiles for assembly heat, at-reactor dry storage loadings) to ensure that the simulation initializes with a realistic representation of the state of commercial SNF in the United States. Recent major enhancements that have been implemented into NGSAM since NGSAM was last presented at the WM2019 conference include: • Tracking of railroad escort and buffer car acquisition. • Addition of heavy haul and barge routes for some sites, as well as support for user-defined inter-modal routes. • Updates to the logic that checks the thermal maps prior to package transport. • Addition of an allocation method that predicts when reactor sites will pack assemblies from their pools for dry storage and allocates packages to those reactor sites in the preceding periods, favoring direct transport packages and reducing the number of packages that reactor sites pack for dry storage at their ISFSIs. • Addition of reactor site family operational limits, which are used to limit the number of loads from the pool and from dry storage at a given reactor site per year. • Support has been added for multiple canister loading maps and packages having multiple compatible transportation overpacks. • Updates in the handling of non-commercial fuel, including a new database containing data to support the updates. • Support for repackaging at reactor sites. • Implementing additional output reports or modifying existing reports. • User edits can now be created and edited via the NGSAM website. • Ability to load packages for dry storage at ISF pools. • Same-type package blending at DOE sites. • Support for multi-mode transloading at reactor sites. These new features have improved NGSAM capabilities and/or improve the user experience with the model and will be discussed in more detail. The initial NGSAM requirements for advanced reactor fuels, reprocessing, treatment, and conditioning are preliminary and are described at a high level in this paper: analysts will provide more specific requirements to the NGSAM team in the future. Additionally, there are many data needs associated with modeling advanced reactors in NGSAM, but many of the data or plans are still in progress and/or yet to be fully defined. However, this document describes an initial exploration of the data relevant to this program. Advanced reactor data will likely require revision as concepts evolve and new considerations are made. This is a technical paper that does not take into account contractual limitations or obligations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). For example, under the provisions of the Standard Contract, spent nuclear fuel in multi-assembly canisters is not an acceptable waste form, absent a mutually agreed to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract governs the obligations of the parties, and this paper in no manner supersedes, overrides, or amends the Standard Contract. This paper reflects technical work which could support future decision making by DOE. No inferences should be drawn from this paper regarding future actions by DOE, which are limited both by the terms of the Standard Contract and Congressional appropriations for the Department to fulfill its obligations under the Nuclear Waste Policy Act including licensing and construction of a spent nuclear fuel repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Reduced Order Model to Predict Dispersion of Flammable Refrigerant into a Space

As the HVAC&R industry mobilizes to deploy more low-GWP refrigerants, relevant standards are being continually reviewed and updated. Those include the general safety standards ISO 5149 and ASHRAE 15, and the equipment standards IEC and UL. The standards systematically set the allowable maximum amount of refrigerant that should be used in different equipment types and different applications. To do so, they rely on predictions of how a leaked refrigerant mass will disperse into a space. Dispersion characteristics, such as total flammable volume and its residence time, determine the risk associated with the presence of the flammable refrigerant. The standards have included provisions for the use of flammable refrigerants for approximately two decades. They relied on limited analytical analyses and test cases in their development. Dispersion of a refrigerant into a space is complex. Computational fluid dynamics (CFD) are the most accurate in predicting a given problem. However, CFD is computationally expensive and requires specialized expertise and resources and is not suitable for use by standards development working group as prediction tool. This paper presents the development of a reduced order model (ROM) that predicts the key dispersion characteristics relevant to the dispersion of a leaked refrigerant into a space for any combination of input variables. The inputs are the refrigerant release height, the total released refrigerant mass and its release flow rate, the refrigerant molecular weight, the ventilation flow rate, the floor area and height of the space, recirculation air flow rate, and the tightness of the space. The outputs are histograms of volume fraction of the room in prescribed concentration bins and the total mass of the refrigerant in each bin normalized by the total refrigerant charge at 13 prescribed simulation time stamps between 1 and 900 seconds. The ROM is constructed from a set of CFD simulations with carefully chosen combinations of input parameters. The selection if done using a multidimensional sparse grid which is a generalization of the classical tensor approach but offers additional flexibility and thus can be more carefully tuned towards a specific model. The tuning is done to improve the accuracy, measured in the difference between the output values of the ROM and the CFD model, while minimizing the computational cost, measured in number of CFD simulations which is orders of magnitude more expensive than the processing the training data.

Edwards, Dean↗
DOE OSTI2023

Sensitivity analysis of a layered piezoelectric system using ZFEM

The complex variable finite element method (ZFEM) is a numerical technique which aims to find the partial derivatives of the independent variables with respect to variation in dependent parameters declared in the physics. This is done by combining the complex Taylor series expansion within the weak formulation of the governing equation in a coupled system of linear equations forming a complex valued block matrix given by the Cauchy–Riemann matrix representation. In this work, two-dimensional linear first-order elements have been implemented in ZFEM to predict the design derivatives of the mechanical displacement field and the voltage potential field for a layered piezoelectric system in a steady-state study with Dirichlet boundary condition applied at the top and bottom edges of the geometry. This approach allows the standard FEM solution to quantify the sensitivity of the mechanical displacement and voltage potential fields with respect to small variations in the material properties through the information obtained from the computation of the derivatives. The domain is formed by a layered body with PZT-4 and PZT-5 stacked together. For result verification, the numerical solution obtained with ZFEM was compared to results from a commercial FEM package and the solution from the imaginary part was compared to the exact solution of a well-known benchmark problem. In conclusion, comparison of the results showed good agreement for both the real and imaginary parts of the solution and the largest sensitivities were found in PZT-5 specifically in C 13 , C 33 , and ε 33 .

42 ENGINEERING↗
DOE OSTI2024

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power densities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. The purpose of this work is to verify the power distribution results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

97 MATHEMATICS AND COMPUTING↗