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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 19 records

Time-resolved measurements of OH during auto-ignition of syngas with trimethylsilanol and hexamethyldisiloxane

The effects of trimethylsilanol (TMSO) and hexamethyldisiloxane (HMDSO) addition on OH time histories during syngas (H 2 and CO) ignition were investigated using the University of Michigan rapid compression facility. Experiments spanned temperatures of 1010–1080 K, at a pressure of approximately 5 atm. Syngas mixtures of 1.2 % H 2 /2.8 % CO/20 % O 2 by volume (balance N 2 and Ar) provided a baseline for comparison with mixtures that included 100, 200, and 1000 ppm of the TMSO and 100 ppm of HMDSO. Narrow-line ultraviolet laser-absorption was used to measure OH mole-fraction during ignition. The addition of TMSO and HMDSO significantly shifted the OH time-histories earlier in time, by up to 51 %, compared with the baseline syngas mixture. The value of the maximum OH mole fraction was consistent between the 100 and 200 ppm TMSO mixtures and the 100 ppm HMDSO mixtures, but the maximum OH increased significantly with the 1000 ppm TMSO mixtures. Here, the OH data indicate TMSO and HMDSO were not direct sources of OH radicals. Analysis further indicates the TMSO and HMDSO decompose rapidly followed by reactions that enhance the production of H atoms, and the increased reactivity observed is via the H + O 2 = OH + O reaction.

Hexamethyldisiloxane↗

Superconducting pairing mechanism in CeCoIn 5 revisited

Spectroscopic-imaging scanning-tunneling microscopy (SI-STM) measurements have previously been applied to the study of the heavy-fermion system CeCoIn 5 to examine the superconducting gap structure and band dispersions via quasiparticle intereference. Here we directly measure the dispersing electron bands with angle-resolved-photoelectron spectroscopy (ARPES) and compare with first principles electronic structure calculations. By auto-correllating the ARPES-resolved bands with themselves we can measure the potential q-vectors and discern exactly which bands the STM is measuring. We find that the STM results are dominated by scattering associated with a cloverleaf shaped band centered at the zone corners. This same band is also a viable candidate to host the superconducting gap. Overall, the electronic structure calculations indicate that this region of the Fermi surface involves significant contributions from the Co d-electrons, an indication that the superconductivity in these materials is more 3-dimensional than that found in the related unconventional superconductors, the cuprates and the pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Haxall-based (Axon) fault auto-correction package for building HVAC system (Haxall-based Fault Correction) v1.0

Haxall-based Fault Correction is a set of fault auto-correction algorithms implemented using the Axon language. These algorithms can automatically fix equipment and control problems as they arise and improve the operation of building Heating, Ventilation, and Air Conditioning (HVAC) systems. The coded auto-correction algorithms include mitigation of rogue zones, ASHRAE Guideline 36 static pressure and supply air reset, resolution of control hunting due to improper settings in a proportional-integral-derivative controller, correction of biased temperature sensors, etc. FDD tools with enhanced auto-correction capability can resolve control problems as they are detected, increasing energy savings and emissions reductions while freeing up operational staff expertise for the hardest facility problems.

Vitti, Raphael↗

Detection of Isotopes in Urban Source Search Low-Count Gamma Spectra Using Hopfield Neural Networks

Source search campaigns involve measurements of background gamma-ray spectra with a mobile detector-spectrometer traveling along arbitrarily chosen trajectories over a wide screening area. Radiation counts are typically measured with a tellurium-doped sodium iodide [NaI(Tl)] scintillator detector-spectrometer in short acquisition intervals, usually 1 s. The objective is to detect orphan isotopes with half-lives shorter than those of the isotopes in the natural background. In principle, radioisotopes can be identified by their unique gamma emission spectrum. However, detecting orphan isotopes in search data is challenging because low counts measured in short acquisition intervals result in incomplete spectral lines. In this study, we investigate the performance of a Hopfield neural network (HNN) that implements an auto-associative memory for the detection of isotopes of interest in an urban search campaign. The HNN is trained on one example of gamma spectra with well-resolved spectral lines of each isotope of interest. During testing, the auto-associative memory implementation of the HNN processes low-count gamma spectra with partially complete isotopic lines by matching incoming measurements to the closest one of its memory-stored patterns. The testing database consisted of almost 10 000 1-s gamma spectra, including measurements of orphan isotopes 137 Cs, 241 Am, and 131 I, obtained during two urban search surveys with a NaI(Tl) detector. The performance of the HNN detection algorithm was evaluated using precision, recall, and F1 scores, and benchmarked with a multiple linear regression (MLR) identification algorithm. In conclusion, the test results demonstrate that HNN outperforms MLR in the detection of all the isotopes of interest.

Auto associative memory↗

Spatially-resolved soot evolution and statistics in high-pressure diesel spray flames using two-color pyrometry

Previous studies of diesel spray flames have focused on details of the sooting behavior mainly during the quasi-steady period, but few have considered the spatially-resolved transient evolution in combination with injection-to-injection variations. In this study, a 500-injection data set is utilized to investigate the temporal evolution of a spray flame during auto-ignition, the premixed burn phase, and the quasi-steady period. Spatially-resolved OH* chemiluminescence data provide ignition delay times and reaction zone locations. Two-color pyrom-etry with a vastly improved optical system is used to quantify spatially-resolved soot evolution and its statistical variations. The ambient thermodynamic con-ditions are slightly below those in modern diesel engines, resulting in longer lift-off lengths and lower overall soot production. Spatially, soot formation in the lift-off region is small, but appreciable soot forms in the jet core and jet head regions, while it oxidizes gradually on the jet periphery. Total soot mass profiles indicate that regions with larger local soot mass take longer to form, but are the first to oxidize. Probability distributions of soot mass in localized regions indicate that a few injections with high soot mass bias the average soot mass data towards higher values. Altogether, results show good agreement with previous studies employing different diagnostic techniques while providing statistical details of transient and localized soot behavior in high pressure diesel spray flames in support of the related modeling efforts.

09 BIOMASS FUELS↗

Application of Frequency Division Multiplexing and Neural Networks in the Operation and Diagnosis of the Stator Current and Shaft Position Sensors Used in Electric/Hybrid Vehicles

Fast, precise and robust sensing of currents and motor shaft angle is essential for the excellent performance of electric and hybrid vehicles (EV/HEV). Multiplexing techniques are commonly applied in data acquisition systems (DAQs) to digitize the signals sensed in EV/HEV drives. Frequency-division multiplexing (FDM) applied to get the signals from current sensors and resolver angular position sensor has advantages over conventional multiplexing approaches. However, problems such as aging and mechanical imperfections distort the outputs of those sensors, producing measurement errors of the angular position and currents. Conventional techniques designed to compensate for those errors cannot be applied in signals multiplexed in frequency. This paper proposes online techniques to detect and compensate for the distortions in the resolver sensor and current sensors. The demultiplexing process was adjusted to allow distortion detection and compensation. An auto-associative neural network (ANN) compensates for the current measurement error, while an energy-based technique is applied to compensate for the distortions in the resolver outputs. The obtained results show that the distortions were compensated, allowing a more accurate estimation of stator currents and angular position when FDM is applied in EV/HEV DAQs.

Pereira Pinto, Joao↗

Investigation of the ignition processes of a multi-injection flame in a Diesel engine environment using the flamelet model

In this paper, the first flamelet analysis is conducted of a highly resolved DNS of a multi-injection flame with both auto-ignition and ignition induced by flame-flame interaction. A novel method is proposed to identify the different combustion modes of ignition processes using generalized flamelet equations. The state-of-the-art DNS database generated by Rieth et al. (US National Combustion Meeting, 2019) for a multi-injection flame in a Diesel engine environment is investigated. Three-dimensional flamelets are extracted from the DNS at different time instants with a focus on auto-ignition and interaction-ignition processes. The influences of mixture field interactions and the scalar dissipation rate on the ignition process are investigated by varying the species composition boundary conditions of the transient flamelet equations. Budget analyses of the generalized flamelet equations show that the transport along the mixture fraction iso-surface is insignificant during the auto-ignition process, but becomes important when interaction-ignition occurs, which is further confirmed through a flamelet regime classification method.

42 ENGINEERING↗

Mixed gain detector configurations for time-resolved X-ray solution scattering

X-ray detection at X-ray free-electron lasers is challenging in part due to the XFEL's extremely short and intense X-ray pulses. Experimental measurements are further complicated by the large fluctuations inherent to the self-amplified spontaneous emission process producing the X-rays. At the Linac Coherent Light Source the ePix10ka2M detector offers multiple gain modes, and auto-ranging between these, to increase the dynamic range while retaining low noise. For diffuse scattering techniques, such as time-resolved X-ray solution scattering, where the shape of the scattering pattern largely does not change between exposures, a fixed mix of different gain modes offers many of the same advantages as auto-ranging. We find that configuring individual ASICs in separate gain modes does not impact the intensity linearity of the gain response and has a limited effect on the effective dynamic range in regions with different gain mode settings while avoiding the complexities of auto-ranging. Small (<5%) non-linear gain contributions arise when pixels on the same ASIC are configured in different gain modes. We present a configuration scheme that is designed to select the optimal mixed gain configuration to minimize effects of saturation in the high-/medium-gain region, while maximizing the number of pixels with higher gain to improve the signal-to-noise ratio.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Evaluating Chemical Kinetics Predictions for Propane Using 3-D and 0-D Models in a Boosted Spark-Ignited Engine

Propane has been shown to be a promising alternative fuel to reduce emissions while simultaneously achieving high efficiencies in medium- and heavy-duty engines. These high-power density applications require boosted engines which, combined with high compression ratio, can lead to auto-ignition and knock. While three-dimensional (3-D) computational fluid dynamics (CFD) models are often used for resolving the complex fluid flow in engines, these models can become computationally expensive when simulating detailed chemical kinetics. Likewise, zero-dimensional (0-D) models are computationally concise enough for kinetics development, but lack any flow-field information which governs the flame propagation processes in spark ignition (SI) engines. This work presents a comprehensive comparison between 3-D and 0-D closed cycle simulations at knocking conditions in a high compression ratio high stroke-to-bore ratio propane engine. In order to initialize the flow-field for the 3-D closed cycle (intake valve closing, (IVC) to exhaust valve opening, (EVO)) simulation, a motored multi-cycle 3-D model was run using Converge to create a map at IVC, reducing the computational time. The map allowed a non-homogeneous 3-D closed cycle simulation to be satisfactorily validated against experiments, while a homogeneous case using only the turbulence field mapping was also simulated, mimicking 0-D modeling. The 3-D simulations were used to prescribe the initial conditions (e.g., IVC thermodynamics, speciation, burn-rate profile) for a 2-zone 0-D SI engine model in Chemkin Pro for both cases. It was found that 2-zone 0-D modeling underpredicted the knock onset timing, likely due to the lack of thermal stratification in the unburned gas region. Future work will carry multi-zone 0-D modeling to capture the fuel auto-ignition in the unburned region.

Douvry-Rabjeau, Julien [Oakland University, Roches↗

Unsupervised Learning Based Interaction Force Model for Nonspherical Particles in Incompressible Flows

This project provides a neural network-based interaction force model for gas-solid flows from low to intermediate Reynolds numbers and concentration, which can be linked to MFiX-DEM. We have constructed a database of the interaction force between the irregular-shaped particles using a spherical harmonic method and the fluid phase based on the particle-resolved direct numerical simulation (PR-DNS) with immersed boundary-based gas kinetic scheme. Unsupervised learning method, i.e., variational auto-encoder (VAE) has been applied to extract the primitive shape factors determining the drag force, lifting forces, and torque. The interaction force model has been trained and validated with a simple but effective multi-layer feed-forward neural network: multi-layer perceptron (MLP), which will be concatenated after the encoder of the previously trained VAE for geometry feature extraction for single, irregular particles. We have trained transpose convolutional neural networks with the PR-DNS data to predict the velocity and pressure gradient of the single particle systems and utilized them to calculate drag force of multi-particle systems. This model can provide high computational efficiency because it does not require collecting multiparticle system data from PR-DNS.

99 GENERAL AND MISCELLANEOUS↗

Quantitative Microstructural Characterization of Plutonium Oxalate Auto-Degradation and Evidence for PuO2 Nanocrystal Formation

It has been known since the 1950s that plutonium oxalate powders change color and lose mass over time when stored at room temperature in air. Despite several studies monitoring these changes, there are still discrepancies in the literature regarding the speciation of intermediate and final products that result from this decomposition. Presented here for the first time is a comprehensive series of time-resolved powder X-ray diffraction experiments coupled with solid-state optical spectroscopy and electron microscopy of aged plutonium (III) and (IV) oxalate powders. These data provide fresh insight into the chemical and structural changes that occur in these solids over time at room temperature and represent new evidence suggesting both plutonium (III) and plutonium (IV) oxalates decompose to form nanocrystalline plutonium oxide in the solid state.

Corbey, Jordan F.↗

Detection of Isotopes in Urban Source Search Gamma Spectra Using Hopfield Neural Network

Source search campaigns involve the measurement of consecutive background gamma-ray spectra obtained with a mobile detector-spectrometer, such as tellurium-doped sodium iodide NaI(Tl) scintillator detector-spectrometer. Counts are measured with NaI(Tl) detector in short acquisition intervals, such as one second. Detection of isotopes in search data is challenging because of the low signal-to-noise ratio (S/N) of the spectral lines and highly varying background due to naturally occurring radioactive material (NORM). In this work, we investigate the performance of the detection of orphan Cs-137, Am-241, and I-131 isotopes in a gamma ray data set obtained in a search survey. Isotopic detection is performed with a Hopfield Neural Network (HNN), which implements an auto-associative memory by matching incoming measurements to the closest one of its memory-stored signature patterns. HNN is trained on examples of spectra of calibrated isotopic sources with well-resolved spectral lines. During testing, HNN processes spectra with partially complete or distorted isotopic lines. The performance of the HNN detection algorithm is benchmarked with Precision, Recall, and F1 scores. Test results demonstrate the potential of HNN to detect the isotope of interest with high accuracy (F1 > 90%) for all isotopes in this study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Deep learning for drag force modelling in dilute, poly-dispersed particle-laden flows with irregular-shaped particles

Here, this study applies machine learning-based approaches to develop a drag force model for irregular-shaped particles in incompressible flows. The particle-laden flows are studied through an in-house particle-resolved direct numerical simulation (PR-DNS) at low-intermediate Reynolds numbers (Re). We utilize the PR-DNS to obtain drag force coefficients and flow fields of single particles. A variational auto-encoder model is used to obtain latent vectors to represent the geometrical features of the particles, and artificial neural networks (ANN) are developed to predict drag force coefficients and flow fields of the single particles. This study applies a pairwise interaction extended point-particle (PIEP) model to obtain the coefficients assuming the flow fields of neighboring particles can be linearly superposed. The PIEP method shows significant improvement on prediction for a few neighbored particles. In addition, the results reveal R2 scores of 0.56-0.62 and errors of 9.1-10.0 % for the dilute, polydispersed systems with a volume fraction of 0.5 %.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of non-thermal termolecular chemistry on detonation development in hydrogen (H2) / methane (CH4) - air mixtures

In combustion simulations, it is usually assumed that highly-energized collision complexes (either radical or stable species) formed in exothermic reactions are always under thermal equilibrium as they evolve through competing networks of reactions. However, in practical flames, non-trivial amounts of reactive radicals such as H, O and OH are present apart from O2. As a result, collisions of these reactive species with the energized collision complexes have been shown in recent studies to induce non-thermal reactivity. These studies have also demonstrated that such non-thermal reactions can be suitably represented in macroscopic kinetics models as chemically termolecular reactions. The present work was focused on identifying and quantifying the effects of including such reactions on the evolution of an initial deflagration front to a developing detonation in H2/CH4-air mixtures under boosted internal combustion (IC) engine conditions. Specifically, fully resolved simulations, with and without non-thermal reactivity, were performed for a constant volume reactor containing stoichiometric H2/CH4-air mixture. It was found that inclusion of termolecular chemistry resulted in a delayed onset of end-gas auto-ignition. Concurrently, the developing detonation intensity was observed to be significantly higher. Chemical explosive mode analysis (CEMA) was performed to identify the dominant species/reactions responsible for the observed variation in the results.

Detonation↗

Microscopic subsurface characterization of layered magnetic materials using magnetic resonance force microscopy

This project resulted in the following accomplishments: 1) The invention of scanned probe ferromagnetic resonance microscopy. Upon implementation and refinement this approach was used to measure static and dynamic magnetic resonance properties of ferromagnets with an unprecedented combination of spectral and spatial resolution. 2) Demonstration and study of spin pumping in a pristine ferromagnet across a boundary defined entirely by a magnetic field gradient, and so free of materials discontinuities. 3) First demonstrated highly efficient dynamic spin injection from Y 3 Fe 5 O 12 (YIG) into NiO, an antiferromagnetic (AF) insulator and robust spin propagation in AF NiO over distances up to 100-nm thickness; both spin injection and spin transport are mediated by the AF spin correlations. 4) Demonstration of exceptionally high efficiency conversion of spin current to charge current achieved in spin pumping from the dynamic magnetization of a ferromagnetic insulator into a variety of adjacent metal films. 5) Seminal study of the nature of spin-orbit coupling in d-electron metals that revealed the dominant sensitivity of the d-orbital moment to the d-electron count and revealing the important roles of both d-electron configuration and atomic number in the physics of the spin Hall effect. 6) Demonstration of observation of FMR by means of optically-detected NV diamond relaxometry that provided a highly sensitive, spatially resolved FMR detection method and revealed spin pumping across 100-nm length scales by means of dipolar coupling. 7) Using magnetic field localization, developed for FMR imaging, demonstrated a novel approach to discretizing spin wave modes to improve the characteristics of auto-oscillators driven by pure spin currents produced by the spin Hall effect. 8) We demonstrated large spin pumping signals from propagating high wavevector spinwaves in thin film YIG find that the spin pumping efficiency was insensitive to wavevector thus emphasizing the promise of thin YIG films for spinwave-based spintronics by allowing for predictable down-scaling of device dimensions and enabling a broad range of operational frequencies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The DESI One-Percent Survey: Constructing Galaxy–Halo Connections for ELGs and LRGs Using Auto and Cross Correlations

In the current Dark Energy Spectroscopic Instrument (DESI) survey, emission line galaxies (ELGs) and luminous red galaxies (LRGs) are essential for mapping the dark matter distribution at z ~ 1. We measure the auto and cross correlation functions of ELGs and LRGs at 0.8 < z ≤ 1.0 from the DESI One-Percent survey. Following Gao et al., we construct the galaxy–halo connections for ELGs and LRGs simultaneously. With the stellar–halo mass relation for the whole galaxy population (i.e., normal galaxies), LRGs can be selected directly by stellar mass, while ELGs can also be selected randomly based on the observed number density of each stellar mass, once the probability P sat of a satellite galaxy becoming an ELG is determined. We demonstrate that the observed small scale clustering prefers a halo mass-dependent P sat model rather than a constant. With this model, we can well reproduce the auto correlations of LRGs and the cross correlations between LRGs and ELGs at r p > 0.1 Mpc h –1 . We can also reproduce the auto correlations of ELGs at r p > 0.3 Mpc h –1 (s > 1 Mpc h –1 ) in real (redshift) space. Although our model has only seven parameters, we show that it can be extended to higher redshifts and reproduces the observed auto correlations of ELGs in the whole range of 0.8 < z ≤ 1.6, which enables us to generate a lightcone ELG mock for DESI. With the above model, we further derive halo occupation distributions for ELGs, which can be used to produce ELG mocks in coarse simulations without resolving subhalos.

79 ASTRONOMY AND ASTROPHYSICS↗

Robust two-colour pyrometry uncertainty analysis to acquire spatially-resolved measurements

Two-colour pyrometry (2CP) has been used over several decades to study engine-relevant combustion processes, but results are generally regarded as qualitative or semi-quantitative. In many current 2CP systems, large measurement errors are introduced by parallax because the two measured wavelengths are not from the same line of sight. Here this work presents a spatially-resolved 2CP system with the objective of quantifying and reducing measurement uncertainty. An optical setup that eliminates parallax in 2CP is used together with pixel-by-pixel calibration of the camera sensor to increase measurement accuracy. Primary uncertainty terms are identified, and an error propagation analysis is performed to compute uncertainties in the final results of soot temperature, soot concentration parameter, KL, and soot mass. These methodologies are applied to investigate an auto-igniting fuel spray in a constant pressure flow rig at diesel-like conditions of high ambient pressure and temperature. Results show bias uncertainty of around 200 K (≈10%) for temperature and about 40%–60% for KL. High uncertainty was found to occur on the diffusion flame front where both optical thickness and soot concentrations are small. However, these uncertain measurement zones with relatively low soot concentrations contribute minimally to the total soot mass present in the reacting jet during the temporal evolution of the flame.

42 ENGINEERING↗

Model-based Hierarchical Reinforcement Learning for Improved Physical Security Design: A Prototype

Prior work in FY24 developed an adversarial AI agent aid in path analysis of physical protection systems. This agent, trained using a model-based reinforcement learning algorithm, was able to successfully learn the most vulnerable path in facilities. It was able to extend the current state of practice for physical protection design by exhibiting dynamic behavior based on current environmental conditions. Whereas PathTrace largely performs a static, graph-based analysis, the AI agent was able to make decisions based on relative position in the facility, current conditions (was the adversarial agnet discovered?), and proximity to secondary targets. The agent demonstrated some novel capabilities, but had limitations that need to be resolved before it can be used for production purposes. For example, the adversarial agent generalizes poorly and takes a relatively long time to train. Nonetheless, there is still considerable promise for developing the adversarial agent further in order to explore even richer, more dynamic behaviors (e.g., adversary motivations, environmental debris, and more). This work considers a complementary idea; development of a planning agent. The planning agent is envisioned as an auto-complete-like tool that can help accelerate security system design by human experts. The agent would respect existing barriers and sensors placed by a human expert while offering cost-effective suggestions (i.e., implicitly balancing effectiveness with cost) to improve the design. The goal is for this agent to be part of an expert’s toolbox, not to totally upend the current state-of-practice, or to displace human experts. The ultimate goal would be concurrent training of both the adversarial and planning agent together, to learn entirely through self-play. This would represent an entirely new way of performing system deign. We selected a hierarchical, model-based reinforcement learning algorithm to serve as the planning agent. This is an extension of concepts used in the prior FY24 adversarial agent work. There, we had a single agent acting an environment. Here, we have two different sub-agents (policies), working together, to form a complete agent. There is a manager policy, which can select abstract goals on slower time scales, and a worker, which performs primitive actions to reach goals selected by the manager. It is worth noting that this class of algorithm is challenging to work with. From our understanding, our work is one of the first successful uses of model-based reinforcement learning (MBRL) in nuclear energy1 , and likely the first hierarchical model-based reinforcement learning application in nuclear energy. Further, this work is one of the first known attempts to apply AI to perform a design tasks in nuclear energy. Consequently, there were significant implementation challenges and the bulk of the work was focused on successful implementation and algorithm design. The results presented here are very low technology readiness level as a consequence of the lack of related literature, but still represent a significant step forward in the pursuit of applied AI for design.

42 ENGINEERING↗