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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 577 records · Page 32

Non-Intrusive, Laser-Based Imaging of Jet-A Fuel Injection and Combustion Species in High Pressure, Subsonic Flows

The emphasis of combustion research efforts at NASA Glenn Research Center (GRC) is on collaborating with industry to design and test gas-turbine combustors and subcomponents for both sub- and supersonic applications. These next-generation aircraft combustors are required to meet strict international environmental restrictions limiting emissions. To meet these goals, innovative combustor concepts require operation at temperatures and pressures far exceeding those of current designs. New and innovative diagnostic tools are necessary to characterize these flow streams since existing methods are inadequate. The combustion diagnostics team at GRC has implemented a suite of highly sensitive, nonintrusive optical imaging methods to diagnose the flowfields of these new engine concepts. By using optically accessible combustors and flame-tubes, imaging of fuel and intermediate combustion species via planar laser-induced fluorescence (PLIF) at realistic pressures are now possible. Direct imaging of the fuel injection process through both planar Mie scattering and PLIF methods is also performed. Additionally, a novel combination of planar fuel fluorescence imaging and computational analysis allows a 3-D examination of the flowfield, resulting in spatially and temporally resolved fuel/air volume distribution maps. These maps provide detailed insight into the fuel injection process at actual conditions, thereby greatly enhancing the evaluation of fuel injector performance and other combustion phenomena. Stable species such as CO2, O2, N2, H2O, and hydrocarbons are also investigated by a newly demonstrated 1-D, spontaneous Raman spectroscopic method. This visible wavelength Raman technique allows the acquisition of quantitative, stable species concentration measurements from the flow.

Locke, R. J.↗

Improvised Field Expedient Method for Renal Replacement Therapy in a Porcine Model of Acute Kidney Injury

ABSTRACT Objective: Dialysis patients may not have access to conventional renal replacement therapy (RRT) following disasters. We hypothesized that improvised renal replacement therapy (ImpRRT) would be comparable to continuous renal replacement therapy (CRRT) in a porcine acute kidney injury model. Methods: Following bilateral nephrectomies and 2 hours of caudal aortic occlusion, 12 pigs were randomized to 4 hours of ImpRRT or CRRT. In the ImpRRT group, blood was circulated through a dialysis filter using a rapid infuser to collect the ultrafiltrate. Improvised replacement fluid, made with stock solutions, was infused pre-pump. In the CRRT group, commercial replacement fluid was used. During RRT, animals received isotonic crystalloids and norepinephrine. Results: There were no differences in serum creatinine, calcium, magnesium, or phosphorus concentrations. While there was a difference between groups in serum potassium concentration over time ( P < 0.001), significance was lost in pairwise comparison at specific time points. Replacement fluids or ultrafiltrate flows did not differ between groups. There were no differences in lactate concentration, isotonic crystalloid requirement, or norepinephrine doses. No difference was found in electrolyte concentrations between the commercial and improvised replacement solutions. Conclusion: The ImpRRT system achieved similar performance to CRRT and may represent a potential option for temporary RRT following disasters.

Public, Environmental & Occupational Health↗

A Sensitive Electrochemical Cholinesterase-Inhibiting Biosensor for Organophosphorus Pesticides Based on Ti 3 C 2 TX MXene Quantum Dots

Organophosphorus pesticides (OPs) pose significant environmental and health risks due to their widespread use and toxicity, primarily by inhibiting acetylcholinesterase. Traditional detection methods are often slow and costly, highlighting the urgent need for advanced, sensitive, and accessible technologies. This study developed a highly sensitive electrochemical cholinesterase-inhibiting biosensor for OP pesticides, utilizing Ti 3 C 2 T x MXene Quantum Dots (MQDs), which was synthesized via a hydrothermal method. The biosensor’s performance was characterized using electrochemical impedance spectroscopy, differential pulse voltammetry (DPV), and cyclic voltammetry. DPV proved to be the optimal technique, exhibiting an ultralow detection limit of 1 × 10 −17 M and a wide linear range (10 −14 –10 −8 M) for chlorpyrifos (a model OP) with an estimated inhibition constant of 62 nM. The biosensor demonstrated high selectivity for OPs (chlorpyrifos, acephate, glyphosate) over a non-target pyrethroid (permethrin), confirmed by distinct electrochemical signatures and compared to in vitro cholinergic activity assays in bean beetle homogenates. The enhanced performance is attributed to the high surface-to-volume ratio, quantum confinement effects, and superior conductivity of the MQDs, as well as the robust enzyme immobilization facilitated by glutaraldehyde cross-linking and a chitosan matrix. This work presents a promising platform for rapid, sensitive, and selective detection of OP pesticides, with potential applications in environmental monitoring and public health protection.

Chemistry↗

Vectorization and parallelization of the finite strip method for dynamic Mindlin plate problems

The finite strip method is a semi-analytical finite element process which allows for a discrete analysis of certain types of physical problems by discretizing the domain of the problem into finite strips. This method decomposes a single large problem into m smaller independent subproblems when m harmonic functions are employed, thus yielding natural parallelism at a very high level. In this paper we address vectorization and parallelization strategies for the dynamic analysis of simply-supported Mindlin plate bending problems and show how to prevent potential conflicts in memory access during the assemblage process. The vector and parallel implementations of this method and the performance results of a test problem under scalar, vector, and vector-concurrent execution modes on the Alliant FX/80 are also presented.

Chen, Hsin-Chu↗

System and Method for Providing a Climate Data Analytic Services Application Programming Interface

A system, method and computer-readable storage devices for providing a climate data analytic services application programming interface. The system includes a programming library that enables client device software to invoke the capabilities of a climate data analytics system through requests to various services supported by the climate data analytics system, and also includes a client-side communications interface that enables the programming library's methods to interact with a climate data analytics system's server interface to obtain access to the capabilities of the system. In one implementation, the programming library is implemented in the Python programming language. The programming library can include basic utilities that call a single, server-side method implemented by one of the various services supported by the climate data analytics system, and extended utilities that call a series of basic utilities and/or other extended utilities that have been placed under programmatic control in order to create client-side convenience methods and workflows.

Schnase, John L.↗

252 Cf yield calibration method for nuclear material accountancy and safeguards practitioners

Californium-252 is an isotope commonly encapsulated as a physically small but strong spontaneous fission neutron source for applications in industry, academia, and research. Within the nuclear safeguards community, a well-characterized 252 Cf source is often used as an accessible alternative for plutonium in calibrations measurements, which require the absolute source strength. Current methods of source strength quantification can provide an accurate estimate, approximately 1% uncertainty under optimal conditions, but are typically costly and time consuming. An alternative method was developed to determine 252 Cf source strength using passive neutron correlation counting (PNCC). The PNCC method enables institutions and facilities to perform 252 Cf source calibration measurements in-house using detection systems that are common within the nuclear safeguards community. This novel method was previously successfully demonstrated using neutron multiplicity well counters. However, the previous evaluation utilized detection systems with high neutron detection efficiencies, greater than 60%. The purpose of the current study is to extend the previous evaluation and demonstrate the feasibility of the PNCC 252 Cf calibration method for suite of coincidence counters with lower neutron detection efficiencies, between 15% and 35%, which are more commonly encountered in the field, as well as to provide a step-by-step guide to using the method. The neutron source used in this evaluation was previously certified by the National Institutes of Science and Technology (NIST), which provides a reference for the accuracy of the PNCC method. In conclusion, the present source yield calculations demonstrate excellent agreement with a NIST calibration technique and achieve a standard uncertainty below the target 1%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Leveraging Exchange Kinetics for the Synthesis of Atomically Precise Porous Catalysts

Metal-organic frameworks (MOFs) have attracted significant attention as porous catalyst platforms due to the synthetic modularity of these materials and the diversity of lattice-confined catalytic active sites that are readily embedded within periodic crystalline frameworks. MOFs offer platforms to heterogenize molecular catalysts, stabilize novel coordination motifs, and leverage confinement effects in catalysis. Crystallinity allows diffraction-based methods to be employed in the characterization of these catalysts. Access to crystalline MOFs typically requires reversible construction of the metal-ligand (M-L) bonds that connect the SBUs, which provides a mechanism to anneal defects during crystallization. While the required M-L bond reversibility is often promoted by synthesis at elevated temperature, access to crystalline materials based on either transition metals with characteristic slow exchange kinetics or highly basic donor ligands remains a synthetic challenge. Here in this paper, we highlight synthetic strategies that leverage M-L exchange kinetics to access MOFs based on kinetically inert ions and extensions of these strategies to the assembly of atomically precise multimetallic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Clumping index estimation with 30°-tilted cameras in row crops: Evaluation of methods and segment size effects

The clumping index (CI) quantifies the spatial distribution of foliage elements and is essential for accurately estimating the plant area index (PAI), canopy radiative transfer, and photosynthesis. Traditionally, the finite-length averaging method (LX), the gap size distribution method (CC), and a combined approach of CC and LX (CLX) have been applied to instruments like TRAC and digital hemispherical photography to estimate CI. However, a comprehensive evaluation of these methods in row crops remains limited, especially regarding the influence of segment size on CI. Meanwhile, digital cameras offer a cost-effective and user-friendly solution for canopy measurements in row crops, yet their application in this context remains underexplored. In this study, we employed a new approach using a 30°-tilted digital camera to estimate CI in corn and soybean fields, applying the LX, CC, and CLX methods. We systematically assessed the performance of these three methods by combining field measurements in real-world fields with simulations using the LESS 3D radiative transfer model. Our results showed that CLX applied to the whole image and 45° segment offered accurate estimation of CI (bias within ±0.1, RMSE < 0.2) and PAI (bias within ±0.4, RMSE < 1) in real-world fields and LESS simulations. The accuracy of the LX method was highly sensitive to segment size, with the best performance observed at the 15° segment (PAI bias within ±0.4). In contrast, the CC method remained stable across different segment sizes, and its performance was generally comparable to that of LX, except at the 15° segment. Across view zenith angles, CI derived from CC generally showed a continuous increase, while those from LX and CLX followed a rising trend at small zenith angles but began to decline at 68°, likely due to an increasing proportion of no-gap segments. Seasonally, LX tended to show decreasing CI during early growth stages but increased as the canopy matured, whereas CC and CLX showed gradually increasing CI before plateauing at peak PAI. The 30°-tilted camera effectively captured CI variations across different angles and growth stages, making it a practical and robust instrument for row crop canopy structure analysis. Furthermore, applying these CI methods to digital cameras offers a low-cost and accessible CI estimation alternative, improving canopy structure monitoring accuracy in row crops.

30°-tilted camera↗

Conformational space exploration of cryo-EM structures by variability refinement

Cryo-EM observation of biological samples enables visualization of sample heterogeneity, in the form of discrete states that are separable, or continuous heterogeneity as a result of local protein motion before flash freezing. Variability analysis of this continuous heterogeneity describes the variance between a particle stack and a volume, and results in a map series describing the various steps undertaken by the sample in the particle stack. While this observation is absolutely stunning, it is very hard to pinpoint structural details to elements of the maps. Here, in order to bridge the gap between observation and explanation, we designed a tool that refines an ensemble of structures into all the maps from variability analysis. Using this bundle of structures, it is easy to spot variable parts of the structure, as well as the parts that are not moving. Comparison with molecular dynamics simulations highlights the fact that the movements follow the same directions, albeit with different amplitudes. Ligand can also be investigated using this method. Variability refinement is available in the Phenix software suite, accessible under the program name phenix.varref.

59 BASIC BIOLOGICAL SCIENCES↗

Chemoselective, osmium-free, dihydroxylation/oxidative cleavage of heteroaryl isoprenes by a contemporary Malaprade reaction

The methyl ketone is a central synthetic building block for the construction of advanced heteroaryl scaffolds and systems. Reactions, including oxidative cyclization strategies, are often predicated on efficient access to this ubiquitous moiety. In the context of arenes, standard approaches leveraging Markovnikov hydration/oxidation or oxidative cleavage of the C–C π bond often afford satisfactory performance. However, when the substrate contains an electron-deficient heteroaryl core, the traditional Malaprade reaction, and related oxidative-cleavage strategies, frequently result in diminished performance over carbon-based arenes. In this work we present the development and application of an oxidative cleavage reaction of various pyridinyl isoprenes towards accessing the downstream methyl ketone for utilization in advanced cyclizations for the preparation of soft-N-donor complexant scaffolds. Further, this efficient protocol parallels the principles of Green chemistry by exchanging KMnO 4 for the toxic OsO 4 and offers the end-user an efficient, more environmentally friendly option for accessing heteroaryl methyl ketones in one hour of reaction time using potassium permanganate and sodium paraperiodate as a synergistically potent oxidative cleavage system. The wide substrate scope defined access to simple, as well as advanced heteroaryl methyl ketones. Method development, optimization, substrate scope, preliminary mechanistic observations, and a scale up reaction are delineated herein.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Postquantum Quench Growth of Renyi Entropies in Low-Dimensional Continuum Bosonic Systems

The growth of Renyi entropies after the injection of energy into a correlated system provides a window upon the dynamics of its entanglement properties. Here we develop a simulation scheme by which this growth can be determined in Luttinger liquids systems with arbitrary interactions, even those introducing gaps into the liquid. We apply this scheme to an experimentally relevant quench in the sine-Gordon field theory. While for short times we provide analytic expressions for the growth of the second and third Renyi entropy, to access longer times, we combine our scheme with truncated spectrum methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Band structures and Z 2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy elements, such as the transition-metal dichalcogenides (TMDs), relativistic effects must be taken into account in first-principles calculations. We present an all-electron method based on the four-component Dirac Hamiltonian and Gaussian-type orbitals (GTOs) that overcomes complications associated with linear dependencies and ill-conditioned matrices that arise when diffuse functions are included in the basis. Until now, there has been no systematic study of the convergence of GTO basis sets for periodic solids either at the nonrelativistic or the relativistic level. Here, in this study, we provide such a study of relativistic band structures of the 2D TMDs in the hexagonal (2H), tetragonal (1T), and distorted tetragonal (1T') structures, along with a discussion of their SOC-driven properties (Rashba splitting and Z 2 topological invariants). We demonstrate the viability of our approach even when large basis sets with multiple basis functions involving various valence orbitals (denoted triple- and quadruple-ζ) are used in the relativistic regime. Our method does not require the use of pseudopotentials and provides access to all electronic states within the same framework. Our study paves the way for direct studies of material properties, such as the parameters in spin Hamiltonians, that depend heavily on the electron density near atomic nuclei where relativistic and SOC effects are the strongest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Improved Distributed-memory Triangle Counting by Exploiting the Graph Structure

Graphs are ubiquitous in modeling complex systems and representing interactions between entities to uncover structural information of the domain. Traditionally, graph analytics workloads are challenging to efficiently scale (both strong and weak cases) on distributed memory due to the irregular memory-access driven nature (with little or no computations) of the methods. The structure of graphs and their relative distribution over the processing elements poses another level of complexity, making it difficult to attain sustainable scalability across platforms. In this paper, we discuss enhancements to TriC, a distributed-memory implementation of graph triangle counting using Message Passing Interface (MPI), which was featured in the 2020 Graph Challenge competition. We have made some incremental enhancements to TriC, primarily adopting a user-defined buffering strategy to overcome the startup problem for large graphs (by fixing the memory for intermediate data), and experimenting with probabilistic data structures such as bloom filter to improve the query response time for assessing edge existence, at the expense of increasing the overall false positive rate. These adjustments have led to a modest improvements in most cases, as compared to the previous version.

Graph Analytics, HPC↗

An Integrated Platform for Collaborative Data Analytics

While collaboration among data scientists is a key to organizational productivity, data analysts face significant barriers to achieving this end, including data sharing, accessing and configuring the required computational environment, and a unified method of sharing knowledge. Each of these barriers to collaboration is related to the fundamental question of knowledge management “how can organizations use knowledge more effectively?”. In this paper, we consider the problem of knowledge management in collaborative data analytics and present ShareAL, an integrated knowledge management platform, as a solution to that problem. The ShareAL platform consists of three core components: a full stack web application, a dashboard for analyzing streaming data and a High Performance Computing (HPC) cluster for performing real time analysis. Prior research has not applied knowledge management to collaborative analytics or developed a platform with the same capabilities as ShareAL. ShareAL overcomes the barriers data scientists face to collaboration by providing intuitive sharing of data and analytics via the web application, a shared computing environment via the HPC cluster and knowledge sharing and collaboration via a real time messaging application.

Oesch, T↗

Improving Dynamic Wireless Charging System Performance For Electric Vehicles Through Variable Speed Limit Control Integration

Electric Vehicle (EV) charging has been a significant barrier to the widespread use of EVs. Traditional EV charging methods depend on cables, and there are concerns about safety, accessibility, convenience, and weather. A recent development, dynamic (or in-motion) wireless charging, enables EVs to charge wirelessly by incorporating charging infrastructure into roadways, allowing EVs to charge while moving. However, the energy transferred relies heavily on vehicle speed and time spent in the charging lane. This paper proposes an innovative solution that combines dynamic wire-less charging with Variable Speed Limit (VSL) control. This dynamic traffic control strategy adjusts speed limits based on real-time traffic, weather, and incidents. This integration of dynamic wireless charging and VSL has two potential benefits. First, it can motivate driver compliance with VSL through the incentive of charging. Second, it can promote smoother traffic flow and improve traffic safety by implementing lower speed limits at certain times. To verify these benefits, microscopic traffic simulations in SUMO were conducted under different EV penetration rates and VSL compliance rates. Simulation results reveal that the proposed approach can enhance dynamic wireless charging system performance while improving traffic flow and safety.

Xu, Guanhao [ORNL] (ORCID:0000000214326357)↗

CTT: Tools for Fine Alignment of Flash X-ray Systems

The CTT code is a compilation of the python code that was prototyped in the interest of making a method for fine alignment of Flash X-ray Systems at the lab. It contains python code for interacting with LTT and running optimization loops using LTT simulations or ray tracing with RaySpace. It Includes classes for creating phantom objects and modular geometry objects in the simulations. It allows one to generate a random phantom that has been optimized to stay with a certain cubic volume and maximize the minimum distance between any two ball phantom centers in all projections. It was primarily made to work on ball phantoms which were simulated as Teflon spheres. It allows the alignment from some nominal position to some displaced position to simulate recovery of a real geometry from the nominal geometry of the system. Fine alignment can be done with the projections in LTT while a rough alignment is faster using rayspace. If rayspace works well for the use case it should be preferred since it is considerably faster and less resource intensive in general. Some Notes about using this code is that one will have to edit the imports for the files to get to the correct LTT path, LTT GUI path and to the CTT path when importing. This was made by using anaconda with python 3 on windows 10. The LTT code was stored in a anaconda environment which seemed to help the python find the LTT although it shouldn’t be necessary if you append the path in your code using sys.path.append(r'add the path you want here’). The sys.path.append method is a quick way to give your python code access to a given folder when running it (such as LTT or CTT). Note that since the code was originally made with paths for a specific machine that a new user will have to edit those paths to make it work in all the files that use the old paths. This is somewhat tedious but will be required to run the code on a new machine. The methodology used to run and make these notebooks starts with opening a command prompt as administrator in windows 10. After this one would activate the anaconda environment in the appropriate directory using “conda activate myenv” in the command prompt. After this open a jupyter-notebook using the keyword “jupyter-notebook". After that a notebook should open in a browser. Note that some libraries used may not come with anaconda so those may have to be installed. There shouldn’t be much though since the main things used are scipy, numpy, matplotlib, and LTT. LTTQuicksetup also requires some paths that will be specific to the computer so that should be changed as well.

42 ENGINEERING↗

Large-Scale Synthesis of Semiconducting Cu(In,Ga)Se2 Nanoparticles for Screen Printing Application

During the last few decades, the interest over chalcopyrite and related photovoltaics has been growing due the outstanding structural and electrical properties of the thin-film Cu(In,Ga)Se2 photoabsorber. More recently, thin film deposition through solution processing has gained increasing attention from the industry, due to the potential low-cost and high-throughput production. To this end, the elimination of the selenization procedure in the synthesis of Cu(In,Ga)Se2 nanoparticles with following dispersion into ink formulations for printing/coating deposition processes are of high relevance. However, most of the reported syntheses procedures give access to tetragonal chalcopyrite Cu(In,Ga)Se2 nanoparticles, whereas methods to obtain other structures are scarce. Herein, we report a large-scale synthesis of high-quality Cu(In,Ga)Se2 nanoparticles with wurtzite hexagonal structure, with sizes of 10–70 nm, wide absorption in visible to near-infrared regions, and [Cu]/[In + Ga] ≈ 0.8 and [Ga]/[Ga + In] ≈ 0.3 metal ratios. The inclusion of the synthesized NPs into a water-based ink formulation for screen printing deposition results in thin films with homogenous thickness of ≈4.5 µm, paving the way towards environmentally friendly roll-to-roll production of photovoltaic systems.

36 MATERIALS SCIENCE↗