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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Critical Role Of Conversion Cost And Comparative Advantage In Modeling Agricultural Land Use Change

The difference in land use modeling approaches is an important uncertain factor in evaluating future climate scenarios in global economic models. We compare five widely used land use modeling approaches: constrained optimization, constant elasticity of transformation (CET), the additive form of constant elasticity of transformation (ACET), logit, and Ricardian. We demonstrate that the approaches differ not only by the extent of parameter uses but also by the definition of conversion cost and the consideration of comparative advantage implied by land heterogeneity. We develop a generalized hybrid approach that incorporates ACET/logit and Ricardian to account for both conversion cost and comparative advantage. We use this hybrid approach to estimate future climate impacts on agriculture. We find a welfare loss of about 0.38–0.46% of the global GDP. We demonstrate that ignoring land heterogeneity or land conversion costs underestimates climate impacts on agricultural production and welfare.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Development of optimal methods for collection, transportation, holding, handling, and tagging of juvenile American shad

American shad (Alosa sapidissima) are an anadromous fish species native to the United States that have an extensive range along the east coast, but their populations are declining worldwide. Acoustic telemetry can play a vital role in better understanding the behavior and survival of this sensitive species. A stepwise, systematic approach was used to assess juvenile shad survival during multiple stressors typically associated with an acoustic telemetry study. Minimizing out-of-water handling and the use of saltwater during collection increased 24-hour survival (78 to 99%) between the first two shad transports. Several experiments were conducted to determine the best transmitter design method for implanting juvenile shad. Saltwater was fundamental in keeping tagged shad alive overnight and during the tagging process. Shad as small as 50 mm were tagged using the pectoral incision method with no suture. In a 60-d holding evaluation, tagged fish survived at a comparable rate as their non-tagged counterparts (81.5% for tagged, 70% for untagged). Also, when tagged and untagged shad were exposed to a tank of predators, there was no difference in their survival. Results from this study are encouraging for improving conservation efforts for small, sensitive species of fish, like American shad. The techniques identified may help broaden the application of telemetry studies by informing researchers of optimal methods to ensure survival of tagged fish in future field studies looking to evaluate survival and entrainment rates of juvenile American shad.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Very High Efficiency Dedicated Outdoor Air System Field Site Re-Evaluation

The study reported here evaluated the long-term performance of Very High Efficiency (VHE) Dedicated Outside Air Systems (DOASs) installed at eight sites that participated in field evaluation studies performed by the Northwest Energy Efficiency Alliance (NEEA) and Institute for Market Transformation (IMT) from 2015 through 2020. The study compared the energy performance of the systems in 2021-2022 to the findings of the original evaluation. It also evaluated the indoor environmental quality (IEQ) as perceived by occupants and building operator feedback before and after the system conversion. The findings of the study are important for building owners and managers who are considering adopting VHE DOASs. The study found that the systems: (1) consistently saved energy over the long term, (2) improved occupant comfort, and (3) received positive feedback from building operators. All of the sites had similar or improved energy savings over the pre-conversion system compared to the original evaluation savings, and only one site had a small reduction in energy savings. The sites averaged 48 percent whole site energy savings compared to the pre-conversion system. The continued energy performance of these sites provides strong evidence that the energy savings achieved by VHE DOAS retrofits will be sustained long term. The study also investigated the changes in occupant comfort resulting from the VHE DOAS retrofit. Responses to a survey sent to the sites’ occupants revealed that the conversion resulted in a better indoor environment for the occupants. Most respondents reported that their satisfaction increased, and dissatisfaction decreased post-conversion. Overall occupants were 43 percent more satisfied and 30 percent less dissatisfied post-conversion compared to pre-conversion. The study's findings suggest that a VHE DOAS can be a solution to improve the energy efficiency, reduce energy costs, and increase occupant comfort in buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Fast-Spectrum Critical Assemblies with a Pb-HEU Core Surrounded by a Copper Reflector

The Department of Energy invests tens of millions of dollars each year to develop the next generation of nuclear engineering modeling & simulation (M&S) tools. These M&S tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers become more powerful, we are able to enhance resolution in our calculations. This improved resolution is taking us to a point where the limitations of simulation capability are in the quality of data, including our ability to quantify the uncertainty and sensitivity of the data. In order to accurately model systems of interest, the industry must improve key nuclear data measurements and our confidence of how well we understand the data. Thus, M&S tools need evaluated and quality-assured experimental data for validation purposes. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles benchmark experiment data in a handbook that can be used by criticality safety engineers to validate computer codes and cross-section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. Figure 1 organizes all the benchmark evaluations that have been performed by the isotope of interest, in this case Pb, and the neutron energy within the system. Compared to other isotopes of interest for nuclear applications, there are few benchmark evaluations for Pb systems. This has caused the latest nuclear cross-section libraries to over/underestimate changes in the neutron population compared to experimental results. Therefore, this evaluation fills an important knowledge gap in benchmark evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Effectiveness of Residue and Tillage Management on Runoff Pollutant Reduction from Agricultural Areas

Highlights No-till and no-till residue systems were effective in reducing runoff particulate and total nutrients but increased dissolved nutrients. Maintaining >30% residue cover reduced most runoff constituents, irrespective of no-till or tillage. No-till-residue prevented runoff nutrient losses and benefitted farm revenue by avoiding tillage. Abstract. Reduced tillage management conservation practices (No-till and Reduced-till) are widely adopted in agriculture; however, understanding their overall effectiveness for water quality protection is challenging. A meta-analysis was conducted to understand and quantify the effectiveness of residue and tillage management on runoff, sediment, and nutrient losses from agricultural fields. Annual runoff and the associated sediment, and nutrient (nitrogen and phosphorus) loads were compiled from 60 peer reviewed research articles published across the United States and Canada. A total of 1575 site-years of data were categorized into tillage (<30% surface cover), no-tillage (<30% surface cover), tillage with residue (>30% surface cover), no-tillage with residue (>30% surface cover), and pasture management. No-tillage, no-tillage-residue, and tillage-residue managements were evaluated for their effectiveness in reducing runoff, nutrients, and sediment loads compared to tillage. Synthesized and surveyed corn yield data were used to evaluate the economic cost effectiveness of no-tillage-residue management with respect to tillage. Across the site years (1968-2019) studied, median runoff depth for no-tillage and no-tillage-residue were 84% and 70% greater than tillage and tillage-residue management, respectively. No-tillage-residue management had up to 86% less sediment losses than tillage systems, on average, for both >30% and <30% surface cover. No-tillage-residue management was most effective, with a positive performance effectiveness of 65% to 90% in controlling sediments, particulate, and total nutrient losses in runoff compared to tillage. Cost effectiveness analysis revealed the benefits of no-tillage-residue management in reducing nutrient loads and increasing net-farm revenue by avoiding tillage operational costs. Except for dissolved phosphorus, no-tillage-residue management cost effectiveness for sediments and nutrient loads ranged from negative $6 to negative $102 per every Mg or kg of load reduction, indicating it had both economic and environmental benefits compared to tillage management. Overall, these results indicate that over the long-term, no-tillage and tillage, combined with greater than 30% residue cover, can effectively reduce sediment and nutrient losses. This work highlights the importance of crop residues on the soil surface to reduce runoff losses, even in no-tillage systems. Keywords: Conservation tillage, No-tillage, Residue cover, Tillage, Water quality.

Agriculture↗
DOE OSTI2020

Comparative scintillation performance of EJ-309, EJ-276, and a novel organic glass

An organic glass scintillator developed by Sandia National Laboratories was characterized in terms of its light output and pulse shape discrimination (PSD) properties and compared to commercial liquid (EJ-309) and plastic (EJ-276) organic scintillators. The electron light output was determined through relative comparison of the 137 Cs Compton edge location. The proton light yield was measured using a double time-of-flight technique at the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory. Using a tunable broad-spectrum neutron source and an array of pulse-shape-discriminating observation scintillators, a continuous measurement of the proton light yield was performed for EJ-309 (200 keV–3.2 MeV), EJ-276 (170 keV–4.9 MeV), and the organic glass (50 keV–20 MeV) . Finally, the PSD properties of the organic glass, EJ-309, and EJ-276 were evaluated using an AmBe source and compared via a figure-of-merit metric. The organic glass exhibited a higher electron light output than both EJ-309 and EJ-276. Its proton light yield and PSD performance were comparable to EJ-309 and superior to that of EJ-276. Finally, with these performance characteristics, the organic glass scintillator is well poised to replace current state-of-the-art PSD-capable scintillators in a range of fast neutron detection applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Assessment of Electric Grid Transmission System Simulator for Human Factors Research

Over the past decades, various technologies have been developed for electric grid operations to support clean energy, meet rising electricity demands, and address infrastructure concerns. However, the human factors aspect is often overlooked during rapid integration. Questions persist about how these technologies impact human performance. Simulators play a critical role in supporting investigation of human factors design concepts and conducting comprehensive usability testing to evaluate human performance and assess human reliability. This paper aims to address human factors research simulator requirements and conduct a comparative study of six different simulators. A detailed evaluation reveals that the evaluated simulators lack the ability to customize user interfaces. Additionally, their user interface designs do not fulfill the basic human factors design principles, potentially leading to increased response variability and reduced statistical power when conducting controlled experimental research. In the future, it is essential to develop scripting tools to integrate customizable user interfaces and simulation models, ensuring meeting research requirements.

Li, Ruixuan↗
DOE OSTI2022

Better bang for your buck? Comparing savings realization from ESPCs and direct-funded projects

Energy savings performance contracts (ESPCs) offer an opportunity to tremendously scale decarbonization projects, given their paid-from-savings premise. However, prospective customers still question whether ESPC is worth the effort and expense. This study evaluates the savings realization rates of ESPCs compared to direct-funded projects using ENERGY STAR Portfolio Manager (ESPM) benchmarking data. It compares normalized EUIs from ESPM before and after energy conservation projects implemented via ESPC or direct funding in roughly 450 federal buildings. This documented change, ideally a savings, can then be compared to the estimated savings from the energy conservation initiative in order to generate a rough realization rate. Preliminary results indicate a notably greater savings realization rate for the ESPC buildings (median = 105% of estimated savings) than those that underwent direct-funded projects (median = 46%). Because of a shortage of good quality data and the wide range in results, the difference is only significant at the p < 0.20 level. However, the higher savings realization of ESPCs corroborates the authors’ 2014 findings using a different comparison method. With continued soft government funding and regulatory impediments for climate change mitigation in the U.S., financed, paid-from-savings project models (e.g., ESPC, PACE, EaaS and others) certainly merit more attention. This study’s results are particularly compelling (and encouraging) given the country’s likely reliance on these vehicles to address existing building retrofits.

Earni, Shankar↗
DOE OSTI2023

Status of HEU-Pb in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook

The Department of Energy invests tens of millions of dollars each year to develop the next generation of nuclear engineering modeling & simulation (M&S) tools. These tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers become more powerful, we are able to enhance resolution in our calculations. This improved resolution is taking us to a point where the limitations of simulation capability are in the quality of data, including our ability to quantify the uncertainty and sensitivity of the data. In order to model systems of interest with increasing accuracy, the industry must improve key nuclear data measurements. Thus, M&S tools need evaluated and quality-assured experimental data for validation purposes. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles and evaluates experiment data in a handbook that can be used by criticality safety engineers and others to validate computer codes and cross-section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. Figure 1 organizes all the benchmark evaluations that have been performed by the isotope of interest, in this case Pb, and the average neutron energy the system. Compared to other isotopes of interest for nuclear applications, there are few benchmark evaluations for Pb systems. The lack of integral measurements to determine errors in Pb cross-section data has caused the latest nuclear cross-section libraries to over/underestimate k eff compared to experimental results. Therefore, this evaluation fills an important knowledge gap in benchmark evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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

Life Cycle Analysis of Electrofuels: Fischer–Tropsch Fuel Production from Hydrogen and Corn Ethanol Byproduct CO 2

Electrofuels from renewable H 2 and waste CO 2 streams are of increasing interest because of their CO 2 emissions reduction potentials compared to fossil counterparts. This study evaluated the well-to-wheel (WTW) greenhouse gas (GHG) emissions of Fischer-Tropsch (FT) fuels from various electrolytic H 2 pathways and CO 2 sources, using various process designs (i.e., with and without H 2 recycle) and system boundaries. Two systems with different boundaries were considered: a stand-alone plant (with CO 2 from any source) and an integrated plant with corn ethanol production (supplying CO 2 ). The FT fuel synthesis process was modeled using Aspen Plus, which showed that 45% of the carbon in CO 2 can be fixed in the FT fuel, with a fuel production energy efficiency of 58%. Using nuclear or solar/wind electricity, the stand-alone FT fuel production from various plant designs can reduce WTW GHG emissions by 90-108%, relative to petroleum fuels. When integrating the FT fuel production process with corn ethanol production, the WTW GHG emissions of FT fuels are 57-65% lower compared to petroleum counterparts. This study highlights the sensitivity of the carbon intensity of FT fuels to the system boundary selection (i.e., stand-alone vs integrated), which has different implications under various GHG emission credit frameworks.

08 HYDROGEN↗
DOE OSTI2021

Evaluation of microstructural changes in fresh cement paste using AC impedance spectroscopy vs. oscillation rheology and 1H NMR relaxometry

AC impedance spectroscopy (ACIS) is a promising technique for monitoring the microstructure evolution of fresh cement paste in real-time. This paper compared the change of bulk electric resistivity (ρ{sub bulk}) obtained from ACIS with the developments of storage modulus (G′) and the mean transverse relaxation times (T{sub 2}) of fresh Portland cement pastes within 5 h. It was found that the three different phases (Phase I, II, and III) on the microstructural build-up process of fresh paste can be accurately distinguished by analyzing ρ{sub bulk}, as well as G′ and T{sub 2}. The use of ρ{sub bulk} fails to characterize the microstructural changes in Phase I due to the great sensitivity on the electrical conductivity of the interstitial solution. However, it can successfully reflect the developing features of microstructure in Phases II and III, and reliably evaluate the impacts of water to cement ratio, superplasticizer, and supplementary cementitious materials on the microstructural development.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparing Model Representations of Physiological Limits on Transpiration at a Semi-arid Ponderosa Pine Site

Mechanistic representations of biogeochemical processes in ecosystem models are rapidly advancing, requiring advancements in model evaluation approaches. Here we quantify multiple aspects of model functional performance to evaluate improved process representations in ecosystem models. We compare semi-empirical stomatal models with hydraulic constraints against more mechanistic representations of stomatal and hydraulic functioning at a semi-arid pine site using a suite of metrics and analytical tools. We find that models generally perform similarly under unstressed conditions, but performance diverges under atmospheric and soil drought. The more empirical models better capture synergistic information flows between soil water potential and vapor pressure deficit to transpiration, while the more mechanistic models are overly deterministic. Although models can be parameterized to yield similar functional performance, alternate parameterizations could not overcome structural model constraints that underestimate the unique information contained in soil water potential about transpiration. Additionally, both multilayer canopy and big-leaf models were unable to capture the magnitude of canopy temperature divergence from air temperature, and we demonstrate that errors in leaf temperature can propagate to considerable error in simulated transpiration. This study demonstrates the value of merging underutilized observational data streams with emerging analytical tools to characterize ecosystem function and discriminate among model process representations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Analysis of Material Properties of Aged Rigid Polyurethane Foam

Foams are classified as either rigid or flexible and are commonly used in applications such as pipe insulation, carpet fibers, and chair foam cushions. Polyurethane foams are excellent thermal insulators, have excellent mechanical properties, and are chemically inert. With the addition of fire protective additives, polyurethane foams have the ability to intumescence when exposed to high temperatures. For the future storage of the 9977 nuclear shipping packages, the material properties of the General Plastics 3716 rigid polyurethane foam were evaluated for long term performance by comparing aged samples to unaged samples. General Plastics 3716 rigid polyurethane foam was aged from November 2014 to June 2019 at varying temperatures of: 160 deg. F, 160 deg. F + 50% relative humidity (RH), 185 deg. F, 215 deg. F, and 250 deg. F. The foam was then analyzed via Fourier Transform Infrared Spectroscopy (FTIR), 3D Optical Microscope, Thermal Gravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC). FTIR and Optical Microscope: No significant change to chemical or physical structure was evident by FTIR or optical microscope analysis. DSC: Decrease of heat capacity over time for all oven temperatures except a slight increase for the 185 deg. F conditioned foams. Largest decrease evident with foams conditioned at 250 deg. F. A slight increase in heat capacity for humid samples. Similar trends in heat capacities at 71 deg. C and 102 deg. C. TGA: As conditioning temperature increased, a decline was evident in the average percent weight loss, onset temperature, and first derivative peak temperature. No significant effect due to humidity except for a decrease in first derivative peak temperature. Unaged samples exhibited strong intumescence. Foams conditioned at 160 deg. F exhibited slight intumescence. Results suggest fire protective additives decomposed at higher temperatures, which contributed to a lower average percent mass loss in higher temperature conditioning. Further thermal degradation testing would be beneficial to evaluate the ability of the conditioned foams to intumesce. Evaluate irradiation dose rate effects on conditioned foam. Possible conditioning in an environment with a known humidity or analyzing a new aliquot of sample for each trial to achieve a more representative heat capacity calculation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Performance Evaluation of Low-Cost Condensers Immersed in the Water Tank of a Heat Pump Water Heater

This paper reports the effect of low-cost immersed condensers on the performance of a heat pump water heater (HPWH) that does not require a water-circulating pump. The proposed design is based on the immersion of an L-style condenser coil through an opening in the top of the water tank. The novel design aims to eliminate the need for the water-circulating pumps, thereby substantially improving efficiency and reducing costs and maintenance of the HPWH system. Comprehensive computational fluid dynamics (CFD) simulations and experimental tests were performed, and the results showed that the CFD simulations were close to the experimental data. Further results confirm that the L-style condenser can introduce buoyancy-driven flow and eliminate temperature stratification in the studied HPWH water tank, thereby improving the heat transfer coefficient and coefficient of performance of the HPWH. The testing results further showed that the L-style condenser enabled more than 53% higher coefficient of performance and 400% higher heat transfer coefficient compared with the straight vertical condenser, and achieved much faster water heating. Furthermore, the effects of immersed condensers with different circuits on the HPWH performance were evaluated and compared. All results indicate that the current energy-saving and inexpensive HPWH technology is technically valid, and the benefits of performance improvement and low cost are attractive in future HPWH design.

Gao, Zhiming [ORNL] (ORCID:0000000271397995)↗
DOE OSTI2024

BISON Simulated and Experimental Fission Product Release Comparisons from Reradiated AGR-3/4 Compacts During High Temperature Heating Tests

The fuel performance modeling code BISON was used to predict the release of fission products iodine-131 (131I), xenon-133 (133Xe), and krypton-85 (85Kr) from four re-irradiated AGR-3/4 fuel compacts containing tristructural isotropic (TRISO) coated particles during high-temperature isothermal heating tests. The AGR-3/4 fuel compacts were irradiated in the Advanced Test Reactor (ATR) as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) Program. They were subsequently stored and re-irradiated in the Neutron Radiography (NRAD) reactor for approximately five days and then stored for another five to eight days before being subjected to isothermal heating tests in the Fuel Accident Condition Simulation (FACS furnace) for 200 to 300 hours at temperatures between 1000°C and 1600°C to evaluate fission product release at elevated temperatures. New nuclide-specific fission product source term models for the three nuclides of interest were developed using the reactor multiphysics code Griffin and implemented into BISON to support this work. The new source term models were incorporated into coupled compact- and particle-scale BISON simulations, which predict spatially- and temporally-resolved radionuclide generation, radioactive decay, transport, and release throughout the entire irradiation history, including the initial ATR irradiation, NRAD re-irradiations, FACS heating tests, and intermediate periods spent in storage. The experimentally measured fission product release from the heating tests were compared to modeling release predictions calculated by BISON to evaluate how well the code compares to experimental results. Overall, the experimental measured and BISON predicted comparative release results varied but generally agreed to within 5 particle equivalents. Comparative release results identified general observations to take into consideration to help refine future models and reduce uncertainties associated with both the measurement results and predictive results. This includes developing new uranium oxycarbide (UCO) specific kernel diffusivities for the three isotopes examined to more accurately reflect the material properties of the fuel form. Deriving new diffusivities will aid in producing a more informed BISON model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

A Novel and Secure Pseudovirus Reporter System Based Assay for Neutralizing and Enhancing Antibody Assay Against Marburg Virus

Marburg virus (MARV) is one of the principal members of the filovirus family, which can cause fatal hemorrhagic fever in humans. There are currently no prophylactic and therapeutic drugs on the market, and the high pathogenicity and infectivity of MARV make its research highly dependent on biosafety level 4 conditions, severely hindering the development of vaccines and therapies. Therefore, the development of medicines, such as MARV serological diagnosis, vaccines, and therapeutic antibody drugs, urgently needs a safe, convenient, and biosafety level 2 detection method to measure the neutralizing activity of MARV antibodies. To this end, we report a neutralization assay relying on a Rabies virus (RABV) reverse genetic operating system. We constructed infectious clones carrying the eGFP reporter gene and the full length of the original unmodified MARV GP gene. Based on the critical parameters of phylogenetic analysis, recombinant viruses targeting representative strains in the two major MARV lineages were successfully rescued. These pseudoviruses are safe in mice, and their inability to infect cells after being neutralized by antibodies can be visualized under a fluorescence microscope. We tested the system using the neutralizing antibody MR191. MR191 can significantly block the infection of BSR cells with pseudovirus. We compared it with the traditional lentivirus-type pseudovirus system to verify the system’s credibility and obtained the same results as reported in the literature. In general, we have established a safe and visualized method for evaluating the neutralizing activity of MARV antibodies. Compared with traditional methods, it has the advantages of convenient operation, short cycle, and low cost. It is a candidate method that can replace actual viruses for a neutralization assay.

Bi, Jinhao↗
DOE OSTI2023

A co-kurtosis PCA based dimensionality reduction with nonlinear reconstruction using neural networks

For turbulent reacting flow systems, identification of low-dimensional representations of the thermo-chemical state space is vitally important, primarily to significantly reduce the computational cost of device-scale simulations. Principal component analysis (PCA), and its variants, are a widely employed class of methods. Recently, an alternative technique that focuses on higher-order statistical interactions, co-kurtosis PCA (CoK-PCA), has been shown to effectively provide a low-dimensional representation by capturing the stiff chemical dynamics associated with spatiotemporally localized reaction zones. While its effectiveness has only been demonstrated based on a priori analyses with linear reconstruction, in this work, we employ nonlinear techniques to reconstruct the full thermo-chemical state and evaluate the efficacy of CoK-PCA compared to PCA. Specifically, we combine a CoK-PCA-/PCA-based dimensionality reduction (encoding) with an artificial neural network (ANN) based reconstruction (decoding) and examine, a priori, the reconstruction errors of the thermo-chemical state. In addition, we evaluate the errors in species production rates and heat release rates, which are nonlinear functions of the reconstructed state, as a measure of the overall accuracy of the dimensionality reduction technique. We employ four datasets to assess CoK-PCA/PCA coupled with ANN-based reconstruction: zero-dimensional (homogeneous) reactor for autoignition of an ethylene/air mixture that has conventional single-stage ignition kinetics, a dimethyl ether (DME)/air mixture which has two-stage (low and high temperature) ignition kinetics, a one-dimensional freely propagating premixed ethylene/air laminar flame, and a two-dimensional dataset representing turbulent autoignition of ethanol in a homogeneous charge compression ignition (HCCI) engine. Finally, results from the analyses demonstrate the robustness of the CoK-PCA based low-dimensional manifold with ANN reconstruction in accurately capturing the data, specifically from the reaction zones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗