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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Intrinsic surface passivation of CdTe

Recombination is critically limiting in CdTe devices such as solar cells and detectors, with much of it occurring at or near the surface. In this work, we explore different routes to passivate p-type CdTe surfaces without any intentional extrinsic passivation layers. To provide deeper insight into the passivation routes, we uniquely correlate a set of characterization methods: surface analysis and time-resolved spectroscopy. We study two model systems: nominally undoped single crystals and large-grain polycrystalline films. We examine several strategies to reduce surface recombination velocity. First, we study the effects of removing surface contaminants while maintaining a near-stoichiometric surface. Then we examine stoichiometric thermally reconstructed surfaces. Here, we also investigate the effects of shifting the surface stoichiometry by both “subtractive” (wet chemical etches) and “additive” (ampoule anneals and epitaxial growth) means. We consistently find for a variety of methods that a highly ordered stoichiometric to Cd-rich surface shows a significant reduction in surface recombination, whereas a Te-rich surface has high recombination and propose a mechanism to explain this. While as-received single crystals and as-deposited polycrystalline films have surface recombination velocities in the range of 10 5 –10 6 cm/s, we find that several routes can reduce surface recombination velocities to <2.5 × 10 4 cm/s.

14 SOLAR ENERGY↗
DOE OSTI2011

CO{sub 2} FORMATION IN QUIESCENT CLOUDS: AN EXPERIMENTAL STUDY OF THE CO + OH PATHWAY

The formation of CO{sub 2} in quiescent regions of molecular clouds is not yet fully understood, despite CO{sub 2} having an abundance of around 10%-34% H{sub 2}O. We present a study of the formation of CO{sub 2} via the nonenergetic route CO + OH on nonporous H{sub 2}O and amorphous silicate surfaces. Our results are in the form of temperature-programmed desorption spectra of CO{sub 2} produced via two experimental routes: O{sub 2} + CO + H and O{sub 3} + CO + H. The maximum yield of CO{sub 2} is around 8% with respect to the starting quantity of CO, suggesting a barrier to CO + OH. The rate of reaction, based on modeling results, is 24 times slower than O{sub 2} + H. Our model suggests that competition between CO{sub 2} formation via CO + OH and other surface reactions of OH is a key factor in the low yields of CO{sub 2} obtained experimentally, with relative reaction rates of k{sub CO+H}<<k{sub CO+OH}< k{sub H{sub 2}O{sub 2}+H}< k{sub OH+H},k{sub O{sub 2}+H}. Astrophysically, the presence of CO{sub 2} in low A{sub V} regions of molecular clouds could be explained by the reaction CO + OH occurring concurrently with the formation of H{sub 2}O via the route OH + H.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE FORMATION OF GLYCOLALDEHYDE IN DENSE MOLECULAR CORES

Glycolaldehyde is a simple monosaccharide sugar linked to prebiotic chemistry. Recently, it was detected in a molecular core in the star-forming region G31.41+0.31 at a reasonably high abundance. We investigate the formation of glycolaldehyde at 10 K to determine whether it can form efficiently under typical dense core conditions. Using an astrochemical model, we test five different reaction mechanisms that have been proposed in the astrophysical literature, finding that a gas-phase formation route is unlikely. Of the grain-surface formation routes, only two are efficient enough at very low temperatures to produce sufficient glycolaldehyde to match the observational estimates, with the mechanism culminating in CH{sub 3}OH + HCO being favored. However, when we consider the feasibility of these mechanisms from a reaction chemistry perspective, the second grain-surface route looks more promising, H{sub 3}CO + HCO.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Exploring the $A$-V-Sb landscape beyond $A$$\mathrm{V_3}$ $\mathrm{Sb_5}$: A case study on the $\mathrm{KV_6}$ $\mathrm{Sb_6}$ Kagome compound

Kagome compounds have garnered attention in the past few years for their intriguing magnetic properties arising from spin frustration dictated by the geometry of the Kagome sublattice. In this paper, we highlight the success of the unconventional hydride route for the fast and easy synthesis of the Kagome compound $\mathrm{KV_6}$ $\mathrm{Sb_6}$. Here, high-temperature in situ powder x-ray diffraction (PXRD) studies proved to be useful in hinting at the existence of $\mathrm{KV_6}$ $\mathrm{Sb_6}$, identifying its synthesis conditions, and understanding the reaction mechanism. The crystal structure for $\mathrm{KV_6}$ $\mathrm{Sb_6}$ was determined from high-resolution PXRD data. The compound has a layered structure [$R\overline{3}m, a = 5.5318$ (9) Å, $c = 34.23$ (3)Å 3 $Z = 3$] at room temperature] and features a Kagome bilayer of V atoms. $\mathrm{KV_6}$ $\mathrm{Sb_6}$ is isostructural to the previously reported $\mathrm{RbV_6}$ $\mathrm{Sb_6}$ and $\mathrm{CsV_6}$ $\mathrm{Sb_6}$ compounds. $\mathrm{KV_6}$ $\mathrm{Sb_6}$ is thermally stable in vacuum up to 1173 K, as evident from the high-temperature in situ PXRD and differential scanning calorimetric analysis. Investigation of magnetic properties for $\mathrm{KV_6}$ $\mathrm{Sb_6}$ between 2 and 300 K reveals temperature-independent paramagnetism and an absence of superconductivity, like the Rb and Cs analogs. Furthermore, we compare the magnetic properties of K V 3 Sb 5 , another ternary Kagome compound, synthesized via two different methods: the hydride route and the traditional route from elements. Low-temperature transport property measurements of $\mathrm{KV_6}$ $\mathrm{Sb_6}$ indicate metallic behavior and an intrinsically low thermal conductivity of $\mathrm{1.0 W K^-1}$ $\mathrm{m^-1}$ at 300 K. The layered structure of $\mathrm{KV_6}$ $\mathrm{Sb_6}$ makes it an attractive candidate for deintercalation and doping studies to tune both magnetic and transport properties, laying a foundation for further studies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis and structure of high-purity BaCe 0.25 Mn 0.75 O 3 : an improved material for thermochemical water splitting

Solar thermochemical hydrogen production (STCH) via redox-active metal oxides is an approach for direct solar-driven hydrogen generation typically using a high-temperature redox cycle involving refractory oxides and steam. Typical cycles involve high-temperature reduction of oxides to form oxygen vacancies, followed by lower temperature reaction between oxygen vacancies and steam where the oxide is re-oxidized and the steam is reduced to hydrogen. Only a few materials have demonstrated reversible cycling under the typically harsh STCH conditions (e.g. 1500°C reduction, 900°C re-oxidation) and critical questions remain on the true reversibility of non-stoichiometric multi-cation oxide systems, significantly hampered by the lack of single-phase samples for these material systems. To date, most STCH processes have relied on CeO 2 as a benchmark active material, but more recently, the 12R phase of BaCe 0.25 Mn 0.75 O 3 (BCM) has demonstrated greater hydrogen-generation potential at lower peak temperatures. However, previous reports of 12R-BCM have included large fractions, > 10 wt%, of secondary phases, which complicate analysis of the stability and performance. A comprehensive understanding of the redox mechanism and reversibility of the process in BCM can only be achieved with nearly single-phase samples which, to date, have been difficult to produce. Here two approaches to BCM synthesis are reported: solid state and sol–gel-based routes. It is demonstrated that both routes can be tuned to produce the 12R structure with > 97 wt% yield when annealed ≥1450°C. Herein synchrotron-based diffraction measurements of rhombohedral 12R-BCM enabled characterization of the anisotropy between thermal expansion along the c-axis and within the ab plane. The impact of high-temperature redox cycling on the stability and phase fraction of the 12R-BCM polytype was also investigated. Our results offer two viable routes for synthesis of high-purity 12R-BCM critically needed for evaluating the efficacy of BCM as a STCH material and validate its ability to split water at lower temperatures over extended numbers of redox cycles.

08 HYDROGEN↗
DOE OSTI2018

Internet Performance Analysis of South Asian Countries Using End-to-End Internet Performance Measurements

Internet performance is highly correlated with key economic development metrics of a region. According to World Bank, the economic growth of a country increases 1.3% with a 10% increase in the speed of the Internet. Therefore, it is necessary to monitor and understand the performance of the Internet links in the region. It helps to figure out the infrastructural inefficiencies, poor resource allocation, and routing issues in the region. Moreover, it provides healthy suggestions for future upgrades. Therefore, the objective of this paper is to understand the Internet performance and routing infrastructure of South Asian countries in comparison to the developed world and neighboring countries using end-to-end Internet performance measurements. The South Asian countries comprise nearly 32% of the Internet users in Asia and nearly 16% of the world. The Internet performance metrics in the region are collected through the PingER framework. The framework is developed by the SLAC National Accelerator Laboratory, USA and is running for the last 20 years. PingER has 16 monitoring nodes in the region, and in the last year PingER monitors about 40 sites in South Asia using the ubiquitous ping facility. The collected data is used to estimate the key Internet performance metrics of South Asian countries. The performance metrics are compared with the neighboring countries and the developed world. Particularly, the TCP throughput of the countries is also correlated with different development indices. Further, worldwide Internet connectivity and routing patterns of the countries are investigated to figure out the inconsistencies in the region. Furthermore, the performance analysis revealed that the South Asia region is 7-10 years behind the developed regions of North America (USA and Canada), Europe, and East Asia.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Design and modeling for hydrogen fuel cell conversion of parcel delivery trucks

With an emphasis on reducing fossil fuel consumption and emissions, major delivery service corporations have begun deploying and operating Class 6 zero emissions delivery vans. Battery electric delivery vans are currently available, but their range is a limitation and doesn’t offer flexibility in assigning vehicles to delivery routes. Fuel cell hybrid delivery vans offer a zero emissions solution with extended range and route planning flexibility. In a competitive market, a delivery van design that trades the fuel cell and battery size, performance, and cost is critical to the success and adoption of these zero emissions trucks. This paper outlines a systematic approach using real world operational data and duty cycles to properly size the fuel cell and battery for a zero emissions hybrid delivery van. The approach uses real world GPS data to define routes and duty cycles, along with vehicle powertrain models to assess performance capabilities. Furthermore, the study suggests that a 32 kW fuel cell power system paired with a 49 kWh battery energy storage system and 15 kg of hydrogen storage is a desired option to complete the most demanding parcel and delivery duty cycles.

08 HYDROGEN↗
DOE OSTI2022

Coupled-DC Module-Based Photovoltaic System With Power Mismatch-Tolerated Modulation

Here, this article presents a coupled-DC power module-based cascaded multilevel converter integrating utility-scale photovoltaic (PV) generations (coupled-DC-link power module (CDPM)-PV). CDPM-PV inherits merits such as modular structure, distributed maximum power point tracking (MPPT), direct distribution grid access, from cascaded H-bridge-based PV (CHB-PV) system. But, it supplies more flexible power routes than CHB-PV, through coupling different DC-links. Power routes are intended for enlarging the entire operating range including conditions of active power mismatch arising from nonideal elements such as partial shading and parameter variations. The system construction with its self-balancing principle is first introduced. Switching states for different operating regions are then derived based on the principle of easing implementation. Based on these, a modulation strategy including initial switching pattern selection and coordinated power routing is proposed to allow module-mismatches. Operating ranges are also analyzed and compared with conventional CHB-PV. Simulation results of a 3-MW/13.8-kV system developed in MATLAB/Simulink platform, and experiment results based on a 2.4-kW/311-V setup are presented and have demonstrated that the CDPM-PV topology with proposed modulation strategy can not only ride through a larger range of module mismatches, but also improve solar power utilization and system efficiency owing to noncompromised MPPT.

14 SOLAR ENERGY↗
DOE OSTI2019

Economic Optimal Control for Minimizing Fuel Consumption of Heavy-Duty Trucks in a Highway Environment

This paper provides a comparative assessment of three economic optimal control strategies, aimed at minimizing the fuel consumption of heavy-duty trucks in a highway environment, under a representative lead vehicle model informed by traffic data. These strategies fuse a global, offline dynamic programming (DP) optimization with online model predictive control (MPC). We then show how two of the three strategies can be adapted to accommodate the presence of traffic and optimally navigate signalized intersections using infrastructure-to-vehicular (I2V) communication. The MPC optimization, which is local in nature, makes refinements to a coarsely (but globally, subject to grid resolution) optimized target velocity profile from the DP optimization. The three candidate economic MPC formulations that are evaluated include: a nonlinear time-based formulation that directly penalizes predicted fuel consumption, a nonlinear time-based formulation that penalizes braking effort as a surrogate for fuel consumption, and a linear distance-based convex formulation that maintains a tradeoff between energy expenditure and tracking of the coarsely optimized velocity profile obtained from DP. Using a medium-fidelity Simulink model, based on a Volvo truck's longitudinal and engine dynamics, we analyze the optimization's performance on four highway routes under various traffic scenarios. Results demonstrate 3.7-8.3% fuel economy improvement on highway routes without traffic and 6.5-10% on the same routes with traffic included. Furthermore, we present a detailed analysis of energy usage by "type" (aerodynamic losses, braking losses, and comparison of brake-specific fuel consumption), under each candidate control strategy.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2011

In-flight alloying of nanocrystalline yttria-stabilized zirconia using suspension spray to produce ultra-low thermal conductivity thermal barriers.

Previous researchers have shown that it is possible to combine rare-earth oxides with the standard thermal barrier coating material (4.5 mol% Y{sub 2}O{sub 3}-ZrO{sub 2} or YSZ) to form ultra-low thermal conductivity coatings using a standard powder manufacturing route. A similar approach to making low thermal conductivity coatings by adding rare-earth oxides is discussed presently, but a different manufacturing route was used. This route involved dissolving hydrated ytterbium and neodymium nitrates into a suspension of 80 nm diameter 4.5 mol% YSZ powder and ethanol. Suspension plasma spray was then used to create coatings in which the YSZ powders were alloyed with rare-earth elements while the plasma transported the melted powders to the substrate. Mass spectrometry measurements showed a YSZ coating composition, in mol%, of ZrO{sub 2}-4.4 Y{sub 2}O{sub 3}-1.4 Nd{sub 2}O{sub 3}-1.3 Yb{sub 2}O{sub 3}. The amount of Yb{sup 3+} and Nd{sup 3+} ions in the final coating was {approx}50% of that added to the starting suspension. Wide-angle X-ray diffraction revealed a cubic ZrO{sub 2} phase, consistent with the incorporation of more stabilizer into the zirconia crystal structure. The total porosity in the coatings was {approx}35-36%, with a bulk density of 3.94 g/cm{sup 3}. Small-angle X-ray scattering measured an apparent void specific surface area of {approx}2.68 m{sup 2}/cm{sup 3} for the alloyed coating and {approx}3.19 m{sup 2}/cm{sup 3} for the baseline coating. Thermal conductivity (k{sub th}) of the alloyed coating was {approx}0.8 W/m/K at 800 C, as compared with {approx}1.5 W/m/K at 800 C for the YSZ-only baseline coating. After 50 h at 1200 C, k{sub th} increased to {approx}1.1 W/m/K at 800 C for the alloyed samples, with an associated decrease in the apparent void specific surface area to {approx}1.55 m{sup 2}/cm{sup 3}.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis of mesoporous silica using a mineral silica source

Abstract Mesoporous silica has been applied in catalysis, separations, and drug delivery. It has generally been made using organosilicon precursors such as tetraethyl orthosilicate. For sustainability, it is necessary to find readily accessible mineral sources for making mesoporous silica. In this work, we demonstrate the successful synthesis of mesoporous silica with 10 nm average pore size using the mineral forsterite (Mg 2 SiO 4 ) as a silica source, providing a potentially cheaper and more Earth‐friendly route to making technologically important porous silica materials. Pure forsterite was synthesized by a solid‐state chemistry route at 1000°C and underwent dissolution–reprecipitation in aqueous hydrochloric acid containing the soft template surfactant, Pluronic P123. Variations of initial reaction pH (−0.2 to 0.6), reaction time (12–24 h), reaction temperature (50 to 90°C), and silica precursor (forsterite and fumed silica) were performed. The mesoporous silica aged at 70°C for 24 h had the highest porosity, with a surface area of 735 m 2 /g and a pore volume of 1.4 ml/g, comparable to mesoporous silica made using conventional starting materials. This novel geomimetic synthesis route supports the possibility of analogous formation of structured (mesoporous or zeolitic) silica in nature under abiotic or prebiotic conditions.

Materials Science↗
DOE OSTI2013

Waste management strategy for cost effective and environmentally friendly NPP decommissioning

Decommissioning of nuclear power plants generates large volumes of radioactive or potentially radioactive waste. The proper management of the dismantling waste plays an important role for the time needed for the dismantling phase and thus is critical to the decommissioning cost. An efficient and thorough process for inventorying, characterization and categorization of the waste provides a sound basis for the planning process. As part of comprehensive decommissioning studies for Nordic NPPs, Westinghouse has developed the decommissioning inventories that have been used for estimations of the duration of specific work packages and the corresponding costs. As part of creating the design basis for a national repository for decommissioning waste, the total production of different categories of waste packages has also been predicted. Studsvik has developed a risk based concept for categorization and handling of the generated waste using six different categories with a span from extremely small risk for radiological contamination to high level waste. The two companies have recently joined their skills in the area of decommissioning on selected market in a consortium named ndcon to further strengthen the proposed process. Depending on the risk for radiological contamination or the radiological properties and other properties of importance for waste management, treatment routes are proposed with well-defined and proven methods for on-site or off-site treatment, activity determination and conditioning. The system is based on a graded approach philosophy aiming for high confidence and sustainability, aiming for re-use and recycling where found applicable. The objective is to establish a process where all dismantled material has a pre-determined treatment route. These routes should through measurements, categorization, treatment, conditioning, intermediate storage and final disposal be designed to provide a steady, un-disturbed flow of material to avoid interruptions. Bottle-necks in the process causes increased space requirements and will have negative impact on the project schedule, which increases not only the cost but also the dose exposure to personnel. For these reasons it is critical to create a process that transfers material into conditioned waste ready for disposal as quickly as possible. To a certain extent the decommissioning program should be led by the waste management process. With the objective to reduce time for handling of dismantled material at site and to efficiently and environmental-friendly use waste management methods (clearance for re-use followed by clearance for recycling), the costs for the plant decommissioning could be reduced as well as time needed for performing the decommissioning project. Also, risks for delays would be reduced with a well-defined handling scheme which limits surprises. Delays are a major cost driver for decommissioning projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Modelling study to evaluate two variants for accessing a deep geological repository from the point of view of long-term safety

Siting a deep geological repository for radioactive waste essentially involves two interrelated steps: deciding on an appropriate geological environment for the underground facilities and selecting a suitable location for the associated surface facility. An acceptable solution is more easily achieved if some flexibility exists for siting the surface facility, irrespective of the exact position of the underground facilities. Such flexibility is available if a ramp is used as the main access route from the surface facility to the underground facilities. Another option is to use a combination of shafts and (sub)horizontal tunnels as the main access route. Both variants include shafts for ventilation, etc. In this paper, the two variants (i) main access via ramp and (ii) main access via shaft are compared in terms of long-term safety. To this end, the entire network of underground tunnels of a deep geological repository is implemented in an analytical resistor network flow model. Radionuclide release through the tunnel system and the host rock is then calculated with a numerical network transport model, using as input the results from the flow model. The results clearly indicate that, even in case of hypothetically deficient horizontal and sub-horizontal sealing elements, the choice between ramp and shaft as the main access route is irrelevant to long-term safety. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Detection of Airborne Influenza A and SARS-CoV-2 Virus Shedding following Ocular Inoculation of Ferrets

Despite reports of confirmed human infection following ocular exposure with both influenza A virus (IAV) and SARS-CoV-2, the dynamics of virus spread throughout oculonasal tissues and the relative capacity of virus transmission following ocular inoculation remain poorly understood. Furthermore, the impact of exposure route on subsequent release of airborne viral particles into the air has not been examined previously. To assess this, ferrets were inoculated by the ocular route with A(H1N1)pdm09 and A(H7N9) IAVs and two SARS-CoV-2 (early pandemic Washington/1 and Delta variant) viruses. Virus replication was assessed in both respiratory and ocular specimens, and transmission was evaluated in direct contact or respiratory droplet settings. Viral RNA in aerosols shed by inoculated ferrets was quantified with a two-stage cyclone aerosol sampler (National Institute for Occupational Safety and Health [NIOSH]). All IAV and SARS-CoV-2 viruses mounted a productive and transmissible infection in ferrets following ocular inoculation, with peak viral titers and release of virus-laden aerosols from ferrets indistinguishable from those from ferrets inoculated by previously characterized intranasal inoculation methods. Viral RNA was detected in ferret conjunctival washes from all viruses examined, though infectious virus in this specimen was recovered only following IAV inoculation. Low-dose ocular-only aerosol exposure or inhalation aerosol exposure of ferrets to IAV similarly led to productive infection of ferrets and shedding of aerosolized virus. Viral evolution during infection was comparable between all inoculation routes examined. Furthermore, these data support that both IAV and SARS-CoV-2 can establish a high-titer mammalian infection following ocular exposure that is associated with rapid detection of virus-laden aerosols shed by inoculated animals.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Models Derived from In Vitro Analyses of Spleen, Liver, and Lung Leukocyte Functions Predict Vaccine Efficacy against the Francisella tularensis Live Vaccine Strain (LVS)

Currently, there are no licensed vaccines and no correlates of protection against Francisella tularensis, which causes tularemia. We recently demonstrated that measuring in vitro control of intramacrophage bacterial growth by murine F. tularensis-immune splenocytes, as well as transcriptional analyses, discriminated Francisella vaccines of different efficacies. Further, we identified potential correlates of protection against systemic challenge. Here, we extended this approach by studying leukocytes derived from lungs and livers of mice immunized by parenteral and respiratory routes with F. tularensis vaccines. Liver and lung leukocytes derived from intradermally and intranasally vaccinated mice controlled in vitro Francisella Live Vaccine Strain (LVS) intramacrophage replication in patterns similar to those of splenocytes. Gene expression analyses of potential correlates also revealed similar patterns in liver cells and splenocytes. In some cases (e.g., tumor necrosis factor alpha [TNF-α], interleukin 22 [IL-22], and granulocyte-macrophage colony-stimulating factor [GM-CSF]), liver cells exhibited even higher relative gene expression, whereas fewer genes exhibited differential expression in lung cells. In contrast with their strong ability to control LVS replication, splenocytes from intranasally vaccinated mice expressed few genes with a hierarchy of expression similar to that of splenocytes from intradermally vaccinated mice. Thus, the relative levels of gene expression vary between cell types from different organs and by vaccination route. Most importantly, because studies comparing cell sources and routes of vaccination supported the predictive validity of this coculture and gene quantification approach, we combined in vitro LVS replication with gene expression data to develop analytical models that discriminated between vaccine groups and successfully predicted the degree of vaccine efficacy. Thus, this strategy remains a promising means of identifying and quantifying correlative T cell responses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Massively Parallel Fitness Profiling Reveals Multiple Novel Enzymes in Pseudomonas putida Lysine Metabolism

Despite intensive study for 50 years, the biochemical and genetic links between lysine metabolism and central metabolism in Pseudomonas putida remain unresolved. To establish these biochemical links, we leveraged r andom b arcode t ra n sposon seq uencing (RB-TnSeq), a genome-wide assay measuring the fitness of thousands of genes in parallel, to identify multiple novel enzymes in both L - and D -lysine metabolism. We first describe three pathway enzymes that catabolize L -2-aminoadipate ( L -2AA) to 2-ketoglutarate (2KG), connecting D -lysine to the TCA cycle. One of these enzymes, P. putida 5260 (PP_5260), contains a DUF1338 domain, representing a family with no previously described biological function. Our work also identified the recently described coenzyme A (CoA)-independent route of L -lysine degradation that results in metabolization to succinate. We expanded on previous findings by demonstrating that glutarate hydroxylase CsiD is promiscuous in its 2-oxoacid selectivity. Proteomics of selected pathway enzymes revealed that expression of catabolic genes is highly sensitive to the presence of particular pathway metabolites, implying intensive local and global regulation. This work demonstrated the utility of RB-TnSeq for discovering novel metabolic pathways in even well-studied bacteria, as well as its utility a powerful tool for validating previous research. IMPORTANCE P. putida lysine metabolism can produce multiple commodity chemicals, conferring great biotechnological value. Despite much research, the connection of lysine catabolism to central metabolism in P. putida remained undefined. Here, we used random barcode transposon sequencing to fill the gaps of lysine metabolism in P. putida We describe a route of 2-oxoadipate (2OA) catabolism, which utilizes DUF1338-containing protein P. putida 5260 (PP_5260) in bacteria. Despite its prevalence in many domains of life, DUF1338-containing proteins have had no known biochemical function. We demonstrate that PP_5260 is a metalloenzyme which catalyzes an unusual route of decarboxylation of 2OA to D -2-hydroxyglutarate ( D -2HG). Our screen also identified a recently described novel glutarate metabolic pathway. We validate previous results and expand the understanding of glutarate hydroxylase CsiD by showing that can it use either 2OA or 2KG as a cosubstrate. Our work demonstrated that biological novelty can be rapidly identified using unbiased experimental genetics and that RB-TnSeq can be used to rapidly validate previous results.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Modeling Large-Scale Slim Fly Networks Using Parallel Discrete-Event Simulation

As supercomputers approach exascale performance, the increased number of processors translates to an increased demand on the underlying network interconnect. We present that the slim fly network topology, a new low-diameter, low-latency, and low-cost interconnection network, is gaining interest as one possible solution for next-generation supercomputing interconnect systems. In this article, we present a high-fidelity slim fly packet-level model leveraging the Rensselaer Optimistic Simulation System (ROSS) and Co-Design of Exascale Storage (CODES) frameworks. We validate the model with published work before scaling the network size up to an unprecedented 1 million compute nodes and confirming that the slim fly observes peak network throughput at extreme scale. In addition to synthetic workloads, we evaluate large-scale slim fly models with real communication workloads from applications in the Design Forward program with over 110,000 MPI processes. We show strong scaling of the slim fly model on an Intel cluster achieving a peak network packet transfer rate of 2.3 million packets per second and processing over 7 billion discrete events using 128 MPI tasks. Enabled by the strong performance capabilities of the model, we perform a detailed application trace and routing protocol performance study. Lastly, through analysis of metrics such as packet latency, hop count, and congestion, we find that the slim fly network is able to leverage simple minimal routing and achieve the same performance as more complex adaptive routing for tested DOE benchmark applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Community Public Mobility Using On-Demand, Low-Speed Electric Vehicles: A Case Study in Downtown St. Louis, Missouri

Legacy fixed route transit systems designed to serve commuters struggle to provide efficient and effective service for short neighborhood trips and for population groups unable to access and egress transit stops using active modes (e.g., elderly, disabled). Neighborhood on-demand transit (ODT) services using low-speed electric vehicles (LSEV) are an innovative technological solution that can help fill this gap in service (e.g., short, high-frequency trips) for diverse populations and trip types. This study evaluated user characteristics and travel behavior for a neighborhood ODT service (using LSEVs) in downtown St. Louis, Missouri using responses from a community survey (n=244), ridership data, and vehicle trajectory information. A comparative analysis between neighborhood ODT, fixed route transit, and transportation network companies (TNC) was also conducted from the perspectives of total travel time, cost, and greenhouse gas emissions. Ultimately, the goal of the analysis was to motivate and inform holistic public mobility systems where different services are optimized to meet specific community needs. Findings indicate that the neighborhood ODT was effective at reaching diverse populations (elderly (20%), lower income (27%), and households with limited access to private vehicles (34%)). ODT reduced total travel time by 32% compared to fixed route transit, produced 2.4 - 4.3 times less greenhouse gas emissions per passenger mile (compared to transit and TNCs), and was more affordable (free to users) than alternative options ($1 for transit, $10-12 for TNCs). Overall satisfaction rates were high, with 80% of respondents rating the service a 4 or 5 out of 5.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗