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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 OSTI2023

Experimental Characterization of Hydrocarbons and Nitrogen Oxides Production in a Heavy-Duty Diesel–Natural Gas Reactivity-Controlled Compression Ignition Engine

Reactivity-Controlled Compression Ignition (RCCI) combustion is considered one of the most promising Low-Temperature Combustion (LTC) concepts aimed at reducing greenhouse gases for the transportation and power generation sectors. Due to the spontaneous combustion of a lean, nearly homogeneous mixture of air and low-reactivity fuel (LRF), ignited through the direct injection of a small quantity of high-reactivity fuel (HRF), RCCI (dual-fuel) shows higher efficiency and lower pollutants compared to conventional diesel combustion (CDC) if run at very advanced injection timing. Even though a HRF is used, the use of advanced injection timing leads to high ignition delays, compared to CDC, and generates high cycle-to-cycle variability, limited operating range, and high pressure rise rates at high loads. This work presents an experimental analysis performed on a heavy-duty single-cylinder compression ignited engine in dual-fuel diesel–natural gas mode. The objective of the present work is to investigate and highlight the correlations between combustion behavior and pollutant emissions, especially unburned hydrocarbons (HC) and oxides of nitrogen (NOx). Based on the analysis of crank-resolved pollutants measurements performed through fast FID and fast NOx systems under different engine operating conditions, two correlations were found demonstrating a good accordance between pollutant production and combustion behavior: Net Cyclic Hydrocarbon emission—cyclic IMEP variations (R 2 = 0.86), and Cyclic NOx—maximum value of the Rate of Heat Released (R 2 = 0.82).

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Modification of LiMn 2 O 4 surfaces by controlling the Acid–Base surface chemistry of atomic layer deposition

In this combined theoretical and experimental study, we report the effects of Al precursor selection on the growth chemistry, interfacial structure, and electrochemistry of Al 2 O 3 coatings on spinel LiMn 2 O 4 (LMO) surfaces by atomic layer deposition (ALD). Five Al precursors, exhibiting a range of Lewis acid-base properties, were used to establish trends in the ALD Al 2 O 3 growth chemistry on LMO powders in comparison to redox-inactive planar silicon substrates. We show that the Lewis acid-base properties of the Al precursor ligands can be used to tune both the Mn oxidation states and the Al 2 O 3 coverage on the LMO surface. Density functional theory calculations are used to examine the reaction mechanism of each precursor on LMO surfaces, elucidating a correlation between the Lewis acidity of the ligands and the decomposition thermochemistry. In-depth X-ray photoelectron spectroscopy and in situ Fourier transform infrared spectroscopy measurements support these theoretical predictions and further reveal how different Al precursors modify the atomic and electronic structure near the LMO surface during ALD. While the Mn oxidation state is strongly influenced by the Lewis acidity of the precursor ligand, the surface coverage and thickness of the Al 2 O 3 coating are a more representative descriptor of the electrochemical performance measured in coin cell experiments. Finally, we show how the ligand acid-base properties of ALD precursors can be used to rationally tailor atomic layer growth mechanisms, which may enable atomic level control over the structure of functionalized interfaces for various applications related to catalysis, semiconductors, and energy storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Broken symmetries and excitation spectra of interacting electrons in partially filled Landau levels

Interacting electrons in flat bands give rise to a variety of quantum phases. One fundamental aspect of such states is the ordering of the various flavours – such as spin or valley – that the electrons can undergo and the excitation spectrum of the broken symmetry states that they form. These properties cannot be probed directly with electrical transport measurements. The zeroth Landau level of monolayer graphene with four-fold spin-valley degeneracy is a model system for such investigations, but the nature of its broken symmetry states – particularly at partial fillings – is still not understood. Here, in this study, we demonstrate a non-invasive spectroscopic technique with a scanning tunneling microscope and use it to perform measurements of the valley polarization of the electronic wavefunctions and their excitation spectrum in the partially filled zeroth Landau level of graphene. We can extract information such as the strength of Haldane pseudopotentials that characterize the repulsive interactions underlying the fractional quantum states. Our experiments also demonstrate that fractional quantum Hall phases are built upon broken symmetry states that persist at partial filling. Our experimental approach quantifies the valley phase diagram of the partially filled Landau level as a model flat band platform which is applicable to other graphene-based electronic systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

An Empirical Study on the Use of the Rancor Microworld Simulator to Support Full-scope Data Collection

A lack of data has been identified as a major challenge in human reliability analysis (HRA). Accordingly, several institutes and researchers have tried to collect HRA data from different data sources such as actual historical measurements, expert judgements, or simulator studies. While the most recent studies predominantly focus on collecting data using full-scope simulators with actual operators, Idaho National Laboratory (INL) has begun to collect HRA data using a simplified simulator, i.e., the Rancor Microworld simulator, with student participants. Full-scope studies have been known to have several intrinsic challenges to securing enough quantity of the data due to many reasons like the high cost for performing experiments or requiring actual operators’ cooperation. The ultimate goal of INL’s effort aims to infer actual operators’ data collected from a full-scope simulator on the basis of microworld data with student subjects as well as collect additional data that could be missed in the full-scope research. As a first step to achieve this goal, this paper projects an experimental plan for investigating the differences in human performance between individuals in two groups: 1) an actual operator and 2) a student when using the Rancor Microworld simulator. A randomized factorial experiment design has been developed with two independent variables, i.e., type of scenario and type of subject. Six human performance measures, i.e., 1) time, 2) error, 3) workload, 4) situation awareness, 5) patterns of attention and 6) the number of manipulations were selected. A couple of scenarios and their procedures available to the Rancor Microworld simulator have been developed.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Single Quadrupole Multiple Fragment Ion Monitoring Quantitative Mass Spectrometry

Single quadrupole mass spectrometry (MS) with enhanced in-source multiple fragment ion monitoring was designed to perform high sensitivity quantitative mass analyses. Enhanced in-source fragmentation amplifies fragmentation from traditional soft electrospray ionization producing fragment ions that have been found to be identical to those generated in tandem MS. We have combined enhanced in-source fragmentation data with criteria established by the European Union Commission Directive 2002/657/EC for electron ionization single quadrupole quantitative analysis to perform quantitative analyses. These experiments were performed on multiple types of complex samples that included a mixture of 50 standards, as well as cell and plasma extracts. The dynamic range for these quantitative analyses was comparable to triple quadrupole multiple reaction monitoring (MRM) analyses at up to 5 orders of magnitude with the cell and plasma extracts showing similar matrix effects across both platforms. Amino acid and fatty acid measurements performed from certified NIST 1950 plasma with isotopically labeled standards demonstrated accuracy in the range of 91–110% for the amino acids, 76–129% for the fatty acids, and good precision (coefficient of variation <10%). To enhance specificity, a newly developed correlated ion monitoring algorithm was designed to facilitate these analyses. This algorithm autonomously processes, aligns, filters, and compiles multiple ions within one chromatogram enabling both precursor and in-source fragment ions to be correlated within a single chromatogram, also enabling the detection of coeluting species based on precursor and fragment ion ratios. Single quadrupole instrumentation can provide MRM level quantitative performance by monitoring/correlating precursor and fragment ions facilitating high sensitivity analysis on existing single quadrupole instrumentation that are generally inexpensive, easy to operate, and technically less complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Track vs Shower Discrimination in the Event Reconstruction of the ICARUS Experiment

The ICARUS collaboration has employed the 760-ton T600 liquid argon TPC detector in a successful three-year physics run at the underground LNGS laboratory, performing a sensitive search for LSND-like anomalous appearance in the CERN Neutrino to Gran Sasso beam, which contributed to the constraints on the allowed neutrino oscillation parameters to a narrow region around 1 eV. After a significant overhaul at CERN, the T600 detector has been installed at Fermilab. The detector commissioning phase lasted until June 2022, then ICARUS moved to data taking for neutrino oscillation physics collecting events from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI) beam off-axis. The initial experiment goals are to either confirm or refute the claim by Neutrino-4 short-baseline reactor experiment, perform measurements of neutrino cross sections with the NuMI beam and several Beyond Standard Model searches. Then, ICARUS will jointly search for evidence of sterile neutrinos with the Short-Baseline Near Detector (SBND). In this contribution, we discuss recent changes to the standard TPC event reconstruction that uses Pandora, a pattern recognition software common to liquid argon-based detectors. In particular, we performed a new training of the Boosted Decision Tree (BDT) employed to separate track-like and shower-like reconstructed particles using Monte Carlo simulations of neutrino events from BNB in ICARUS. We compare the discrimination capabilities of the old and new BDT training and discuss further improvements of this algorithm.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Status and perspectives of the ICARUS experiment at the Fermilab Short Baseline Neutrino program

In this study, the ICARUS collaboration has employed the 760 t T600 detector in a successful three-year physics run at the underground LNGS laboratory, performing a sensitive search for LSND-like anomalous ν e appearance in the CERN Neutrino to Gran Sasso beam, which contributed to the constraints on the allowed neutrino oscillation parameters to a narrow region around Δm 2 ~ 1 eV 2 . After a significant overhaul at CERN, the T600 detector has been installed at Fermilab. In 2020 the cryogenic commissioning began with detector cool down, liquid Argon filling and recirculation. ICARUS then started its operation collecting the first neutrino events from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI) beam off-axis, which were used to test the ICARUS event selection, reconstruction and analysis algorithms. ICARUS successfully completed its commissioning phase in June 2022, moving then to data taking for neutrino oscillation physics, aiming at first to either confirm or refute the claim by Neutrino-4 short-baseline reactor. ICARUS will also jointly search for evidence of sterile neutrinos together with the Short-Baseline Near Detector, within the Fermilab Short-Baseline Neutrino program experiment, and will perform measurements of neutrino cross sections with both beams and several Beyond Standard Model searches with the NuMI beam. In this paper, the main technical achievements of the ICARUS detector subsystems (Time Projection Chambers, Light Detection System, Cosmic Ray Tagger, Trigger and Data Acquisition) obtained with both BNB and NuMI neutrino beams during the commissioning phase, will be presented in terms of the overall detector performance and capability to select and reconstruct neutrino events.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Developing Enzyme Immobilization with Fibrous Membranes: Longevity and Characterization Considerations

Fibrous membranes offer broad opportunities to deploy immobilized enzymes in new reactor and application designs, including multiphase continuous flow-through reactions. Enzyme immobilization is a technology strategy that simplifies the separation of otherwise soluble catalytic proteins from liquid reaction media and imparts stabilization and performance enhancement. Flexible immobilization matrices made from fibers have versatile physical attributes, such as high surface area, light weight, and controllable porosity, which give them membrane-like characteristics, while simultaneously providing good mechanical properties for creating functional filters, sensors, scaffolds, and other interface-active biocatalytic materials. This review examines immobilization strategies for enzymes on fibrous membrane-like polymeric supports involving all three fundamental mechanisms of post-immobilization, incorporation, and coating. Post-immobilization offers an infinite selection of matrix materials, but may encounter loading and durability issues, while incorporation offers longevity but has more limited material options and may present mass transfer obstacles. Coating techniques on fibrous materials at different geometric scales are a growing trend in making membranes that integrate biocatalytic functionality with versatile physical supports. Biocatalytic performance parameters and characterization techniques for immobilized enzymes are described, including several emerging techniques of special relevance for fibrous immobilized enzymes. Diverse application examples from the literature, focusing on fibrous matrices, are summarized, and biocatalyst longevity is emphasized as a critical performance parameter that needs increased attention to advance concepts from lab scale to broader utilization. This consolidation of fabrication, performance measurement, and characterization techniques, with guiding examples highlighted, is intended to inspire future innovations in enzyme immobilization with fibrous membranes and expand their uses in novel reactors and processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Quantifying Percolated Triple Phase Boundary Density and Its Effects on Anodic Polarization in Ni-Infiltrated Ni/YSZ SOFC Anodes

Increasing the density of percolated triple phase boundaries (TPBs) by infiltrating nanoscale electrocatalysts can improve the performance of solid oxide fuel cell (SOFC) anodes. However, the complex microstructure of these infiltrated nanocatalysts creates challenges in quantifying their role in anode performance improvements. In this research, scanning electron microscopy of fractured cross-sections of a Ni-nanocatalyst infiltrated anodic symmetric cell along with three-dimensional (3-D) reconstruction of the same anode have been used to quantify the changes in percolated TPB densities due to infiltration. This change in percolated TPB density has been compared to the improvement in anode activation polarization resistance measured by electrochemical impedance spectroscopy (EIS). It was found that increased TPB densities only partially accounted for the measured performance improvement. Distribution of relaxation times (DRT) analyses showed that a reduction in the time constants of the catalytic processes in the anode also play a role, suggesting that the added nanoscale percolated TPB boundaries are more electrochemically active as compared to the cermet TPB boundaries.

25 ENERGY STORAGE↗
DOE OSTI2024

ICARUS at the Short-Baseline Neutrino program: first results

The ICARUS collaboration employed the 760-ton T600 detector in a successful three-year physics run at the underground LNGS laboratory, performing a sensitive search for LSND-like anomalous $\nu_e$ appearance in the CERN Neutrino to Gran Sasso beam, which contributed to the constraints on the allowed neutrino oscillation parameters to a narrow region around 1 $eV^2$. After a significant overhaul at CERN, the T600 detector has been installed at Fermilab. In 2020 the cryogenic commissioning began with detector cool down, liquid argon filling and recirculation. ICARUS then started its operation collecting the first neutrino events from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI) beam off-axis, which were used to test the ICARUS event selection, reconstruction and analysis algorithms. ICARUS successfully completed its commissioning phase in June 2022, moving then to data taking for neutrino oscillation physics, aiming at first to either confirm or refute the claim by Neutrino-4 short-baseline reactor experiment. ICARUS will also perform measurement of neutrino cross sections in LAr with the NuMI beam and several Beyond Standard Model studies. After the first year of operations, ICARUS will search for evidence of sterile neutrinos jointly with the Short-Baseline Near Detector, within the Short-Baseline Neutrino program. In this presentation, preliminary results from the ICARUS data with the BNB and NuMI beams are presented both in terms of performance of all ICARUS subsystems and of capability to select and reconstruct neutrino events.

Artero Pons, Maria↗
DOE OSTI2025

ICARUS at the Short-Baseline Neutrino Program: First Results

The ICARUS collaboration employed the 760-ton T600 detector in a successful three-year physics run at the underground LNGS laboratory. In 2021, ICARUS started its new operation at Fermilab, collecting a substantial amount of neutrino events from the Booster Neutrino Beam (BNB) and the neutrinos at the Main Injector (NuMI) beam off-axis. These were used to test the ICARUS event selection, reconstruction, and analysis algorithms. ICARUS successfully completed its commissioning phase in June 2022, moving then to data taking for neutrino oscillation physics, aiming at first to either confirm or refute the claim by the Neutrino-4 short-baseline reactor experiment. ICARUS will also perform measurements of neutrino cross sections in LAr with the NuMI beam and several Beyond Standard Model studies. After the first year of operations, ICARUS will search for evidence of sterile neutrinos jointly with the Short-Baseline Near Detector, within the Short-Baseline Neutrino program. In this work, preliminary results from the ICARUS data with the BNB and NuMI beams are presented, both in terms of the performance of all ICARUS subsystems and the capability to select and reconstruct neutrino events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Status and perspective of ICARUS at the Fermilab Short-Baseline Neutrino Program

The ICARUS collaboration has employed the 760-ton T600 detector in a successful three-year physics run at the underground LNGS laboratory, performing a sensitive search for LSND-like anomalous appearance in the CERN Neutrino to Gran Sasso beam, which contributed to the constraints on the allowed neutrino oscillation parameters to a narrow region around 1 eV. After a significant overhaul at CERN, the T600 detector has been installed at Fermilab. In 2020 the cryogenic commissioning began with detector cool down, liquid argon filling and recirculation. ICARUS then started its operation collecting the first neutrino events from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI) beam off-axis, which were used to test the ICARUS event selection, reconstruction and analysis algorithms. ICARUS successfully completed its commissioning phase in June 2022, moving then to data taking for neutrino oscillation physics, aiming at first to either confirm or refute the claim by Neutrino-4 short-baseline reactor experiment. ICARUS will also perform measurements of neutrino cross sections with the NuMI beam and several Beyond Standard Model searches. After the first year of operations, ICARUS will jointly search for evidence of sterile neutrinos with the Short-Baseline Near Detector (SBND), within the Fermilab Short-Baseline Neutrino (SBN) program. In this presentation, preliminary technical results from the ICARUS data with the BNB and NuMI beams are presented both in terms of performance of all ICARUS subsystems and its capability to select and reconstruct neutrino events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Ba₁₋ₓSrₓFeO₃₋ᵧ as an Improved Oxygen Carrier for Chemical Looping Air Separation: A Computational and Experimental Study

Chemical looping air separation (CLAS) is a promising method to generate pure carbon-dioxide from fuel combustion with a pure oxygen stream, which is produced through the capture, and targeted release, of oxygen from the atmosphere using a solid oxide carrier. The performance of this process depends on the redox characteristics of the oxide carrier. Using experimental oxygen-temperature-programmed desorption (TPD) and thermogravimetric analysis (TGA), the study shows that Ba₀․₇₅Sr₀․₂₅FeO₃ has improved oxygen storage capacity (OSC), oxidation, and reduction kinetics over pristine SrFeO₃ at temperatures ranging from 300-500 °C. The redox energetics computed by using first-principles density functional theory (DFT) calculations also depict the measured trend establishing it as an important descriptor of the measured performance. The Ba₁₋ₓSrₓFeO₃₋ᵧ depicts a Sr-substitution and oxygen stoichiometry induced structural phase transition from hexagonal at low temperatures to pseudo-cubic phase with higher OSC up to T=400 °C. Also, the mechanism leading to this structural phase transition is identified by performing electronic and vibrational structural calculations. This presentation was given on March 8, 2024 at the APS March Meeting in Minneapolis, MN.

Acharya, Shree Ram↗
DOE OSTI2022

Comparison of measurement and simulation of ATLAS cavern radiation background

Sixteen Medipix2 pixel detector based (MPX) devices were operated at various positions within the ATLAS detector and cavern continuously from early 2008 up to 2013. In addition to photons, each MPX detector is capable to detect charged particles, and neutrons as it is covered with a mask of converter materials dividing its area into regions sensitive to thermal or fast neutrons. The MPX detector network was effectively used for real-time measurements of the spectral characteristics and composition of complex radiation fields in ATLAS. This article reports comparison of the results of measurements performed with MPX detectors during the LHC operation period in 2010 and 2011 with Monte Carlo simulations results from the FLUGG and GCALOR codes. For the purpose of this comparison, the MPX detectors were operated in tracking mode with low threshold (8–10 keV) allowing one to distinguish among particle categories based on the recognition of track patterns left by the particles in the MPX sensitive layer. The comparison of measurements with simulations shows that the agreement between measured and simulated data is satisfactory in most cases within a factor of two.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Persistence of collectivity in the low-lying states of 30,31 Na inside the 𝑁 = 20 island of inversion

Near the 𝛽-stability line, nuclei with magic numbers are expected to exhibit spherical ground states. However, mass measurements of neutron-rich nuclei near the 𝑁 = 20 island of inversion have indicated an excess in the binding energies. These results, together with subsequent spectroscopic studies and theoretical works, point to the structural evolution from normal configurations to intruder-deformed configurations characterized by particle-hole excitations across the shell gap. Despite evidence of intruder-dominant ground states for the 30,31 Na isotopes in the vicinity of 𝑁 = 20, a question remains as to whether the deformation persists into the ground-state bands beyond the first excited states. Here, in this work, we report on a heavy-ion inelastic scattering measurement performed with GRETINA, the TRIPLEX device, and the S800 spectrograph to study the low-lying excitations in neutron-rich 30,31 Na . The observed gamma rays for the (4 + ) → (3 + ), (3 + ) → 2$^+_{g.s.}$, and (4 + ) → 2$^+_{g.s.}$ decays in 30 Na and for the (7/2 + ) → (5/2 + ) and (5/2 + )→3/2$^+_{g.s.}$ decays in 31 Na were used to extract the reduced transition probabilities 𝐵⁡(𝐸⁢2↑). We report the first measurement of the 𝐵⁡(𝐸⁢2↑) between the 3/2$^+_{g.s.}$ and the (7/2 + ) states in 31 Na . The results from this study are compared to shell-model calculations, confirming the persistence of large collectivity in the low-lying excited states consistent with the formation of the well-deformed ground-state bands in 30,31 Na .

collective models↗
DOE OSTI2025

Recent results from MicroBooNE

Modelling and reconstructing neutrino-nucleus scattering is difficult, but it is crucial to do it precisely to enable next-generation oscillation measurements. Liquid argon time projection chambers (LArTPCs), such as MicroBooNE, can be the tool for this job as they are excellent precision neutrino detectors with their ability to produce detailed three-dimensional interaction images and precise energy and spatial resolution. MicroBooNE currently possesses the world's largest neutrino-argon scattering data set collected over five years using the BNB and NuMI neutrino beams at Fermilab. The experiment has performed measurements over a broad range of physics topics including neutrino argon cross sections, searches for BSM physics, and investigations of the MiniBooNE LEE excess. Many of these measurements are essential for improving the modelling of nuclear effects for both MicroBooNE and future LArTPC neutrino experiments, such as DUNE. This talk will give an overview of recent MicroBooNE results, the analysis techniques that enable them, and prospects for future measurements.

Parkinson, Holly B. [U. Edinburgh (main)] (ORCID:0↗
DOE OSTI2021

Did the GPU obfuscate the load imbalance in my MPI simulation?

The current proliferation of GPU-based HPC systems necessitates a method for assessing the performance of simulations on heterogeneous machines. The addition of GPUs to a system adds multiple hierarchical levels of parallelism to the node architecture. In this paper, we demonstrate that the traditional load imbalance metric is insufficient for capturing the load imbalance on GPU-based machines, since it treats the GPU as a monolithic entity and ignores the internal parallelism. We propose a new hierarchical metric that improves the correlation of measured performance and application workload by up to 20.61%. Using our metric for determining application load instead of the traditional metric as the input for the load balancing algorithm reduces the residual load imbalance by up to 4× in our application.

Eberius, David↗
DOE OSTI2025

String breaking in the heavy quark limit with scalable circuits

Quantum simulations of non-Abelian gauge theories require efficient mappings onto quantum computers and practical state preparation and measurement procedures. A truncation of the Hilbert space of non-Abelian lattice gauge theories with matter in the heavy quark limit is developed. This truncation is applied to SU(2) lattice gauge theory in 1+1D to map the theory efficiently onto a quantum computer. Scalable variational circuits are found to prepare the vacuum and single meson states. It is also shown how these state preparation circuits can be used to perform measurements of the number of mesons produced during the system’s time evolution. A state with a single qq¯ pair is prepared on quantum hardware and the inelastic production of qq¯ pairs is observed using 104 qubits on IBM’s Heron quantum computer ibm_torino.

Ciavarella, Anthony N↗