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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 OSTI2011

New development in high resolving power W-Si calorimeters

The Relativistic Heavy Ion Collider (BNL) collides heavy nuclei and creates a strongly coupled medium at unprecedented density and temperature. Characteristic event structures may be efficiently selected with calorimeters, which can provide triggers on high-pT particles, 'jets' of particles, or large transverse energy, along with precision measurements of the structures. The importance of calorimeters in studies of ultrarelativistic heavy-ion collisions was first recognized by W.Willis. The key requirements are photon identification and measurements, and high resolving power to handle extreme occupancies common to this kind of interactions. We present a fully developed and beam tested concept of the W-Si sampling calorimeter built to this specifications. Novel features of this design are concepts of silicon micromodules, use of microconnectors for the silicon alignment purposes and passive signal summation to form readout towers. A prototype calorimeter was built in collaboration between BNL and a number of University groups from USA, Russia, Korea, Finland and Czech Republic and exposed to particle beams at CERN PS and SPS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Decoy selection for protein structure prediction via extreme gradient boosting and ranking

Background: Identifying one or more biologically-active/native decoys from millions of non-native decoys is one of the major challenges in computational structural biology. The extreme lack of balance in positive and negative samples (native and non-native decoys) in a decoy set makes the problem even more complicated. Consensus methods show varied success in handling the challenge of decoy selection despite some issues associated with clustering large decoy sets and decoy sets that do not show much structural similarity. Recent investigations into energy landscape-based decoy selection approaches show promises. However, lack of generalization over varied test cases remains a bottleneck for these methods. Results: We propose a novel decoy selection method, ML-Select, a machine learning framework that exploits the energy landscape associated with the structure space probed through a template-free decoy generation. The proposed method outperforms both clustering and energy ranking-based methods, all the while consistently offering better performance on varied test-cases. Moreover, ML-Select shows promising results even for the decoy sets consisting of mostly low-quality decoys. Conclusions: ML-Select is a useful method for decoy selection. This work suggests further research in finding more effective ways to adopt machine learning frameworks in achieving robust performance for decoy selection in template-free protein structure prediction.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1975

A program for contouring randomly spaced data

A description is given of a digital computer program which prepares contour plots of three dimensional data. The contouring technique uses a triangulation procedure. As presently configured, the program can accept up to 56,000 randomly spaced data points, although the required computer resources may be prohibitive. However, with relatively minor internal modifications, the program can handle essentially unlimited amounts of data. Up to 20 contouring intervals can be selected and contoured with either polygonal lines or smooth curves. Sample cases are illustrated. A general description of the main program and primary level subroutines is included to permit simple modifications of the program.

Hamm, R. W.↗
NASA NTRS1980

Coplanar back contacts for thin silicon solar cells

A process for fabricating 2 to 3 mil wraparound solar cells was formulated. Sample thin wraparound cells were fabricated using this process. The process used a reinforced perimeter construction to reduce the breakage that occurs during handling of the wafers. A retracting piston post was designed and fabricated to help minimize the breakage that occurs during the screen printing process. Two alternative methods of applying the aluminum back surface field were investigated. In addition to the standard screen printed back surface field, both spin-on and evaporated aluminum techniques were researched. Neither spin-on nor evaporated aluminum made any noticeable improvement over the screen printing technique. A fine screen mesh was chosen for the application of the aluminum paste back surface field. The optimum time and temperature for firing the aluminum turned out to be thirty seconds at 850 C. The development work on the dielectric included looking at three dielectrics for the wraparound application. Transene 1000, Thick Film Systems 1126RCB and an in house formulation 61-2-2A were all tested. Cells with pre-dielectric thickness of 3.0-0-3.5 mils using Transene 1000 as the wraparound dielectric and the procedure outlined above showed an average efficiency of 10.7 percent. Thinner cells were fabricated, but had an unacceptable yield and efficiency.

Thornhill, J. W.↗
NASA NTRS2012

Saliva Preservative for Diagnostic Purposes

Saliva is an important body fluid for diagnostic purposes. Glycoproteins, glucose, steroids, DNA, and other molecules of diagnostic value are found in saliva. It is easier to collect as compared to blood or urine. Unfortunately, saliva also contains large numbers of bacteria that can release enzymes, which can degrade proteins and nucleic acids. These degradative enzymes destroy or reduce saliva s diagnostic value. This innovation describes the formulation of a chemical preservative that prevents microbial growth and inactivates the degradative enzymes. This extends the time that saliva can be stored or transported without losing its diagnostic value. Multiple samples of saliva can be collected if needed without causing discomfort to the subject and it does not require any special facilities to handle after it is collected.

Pierson, Duane L.↗
NASA NTRS2012

NASA Tech Briefs, November 2012

The topics include: Visual System for Browsing, Analysis, and Retrieval of Data (ViSBARD); Time-Domain Terahertz Computed Axial Tomography NDE System; Adaptive Sampling of Time Series During Remote Exploration; A Tracking Sun Photometer Without Moving Parts; Surface Temperature Data Analysis; Modular, Autonomous Command and Data Handling Software with Built-In Simulation and Test; In-Situ Wire Damage Detection System; Amplifier Module for 260-GHz Band Using Quartz Waveguide Transitions; Wideband Agile Digital Microwave Radiometer; Buckyball Nucleation of HiPco Tubes; FACT, Mega-ROSA, SOLAROSA; An Integrated, Layered-Spinel Composite Cathode for Energy Storage Applications; Engineered Multifunctional Surfaces for Fluid Handling; Polyolefin-Based Aerogels; Adjusting Permittivity by Blending Varying Ratios of SWNTs; Gravity-Assist Mechanical Simulator for Outreach; Concept for Hydrogen-Impregnated Nanofiber/Photovoltaic Cargo Stowage System; DROP: Durable Reconnaissance and Observation Platform; Developing Physiologic Models for Emergency Medical Procedures Under Microgravity; Spectroscopic Chemical Analysis Methods and Apparatus; Low Average Sidelobe Slot Array Antennas for Radiometer Applications; Motion-Corrected 3D Sonic Anemometer for Tethersondes and Other Moving Platforms; Water Treatment Systems for Long Spaceflights; Microchip Non-Aqueous Capillary Electrophoresis (MicronNACE) Method to Analyze Long-Chain Primary Amines; Low-Cost Phased Array Antenna for Sounding Rockets, Missiles, and Expendable Launch Vehicles; Mars Science Laboratory Engineering Cameras; Seismic Imager Space Telescope; Estimating Sea Surface Salinity and Wind Using Combined Passive and Active L-Band Microwave Observations; A Posteriori Study of a DNS Database Describing Super critical Binary-Species Mixing; Scalable SCPPM Decoder; QuakeSim 2.0; HURON (HUman and Robotic Optimization Network) Multi-Agent Temporal Activity Planner/Scheduler; MPST Software: MoonKommand

Source record↗
NASA NTRS2016

The HEXITEC Hard X-Ray Pixelated CdTe Imager for Fast Solar Observations

There is an increasing demand in solar and astrophysics for high resolution X-ray spectroscopic imaging. Such observations would present ground breaking opportunities to study the poorly understood high energy processes in our solar system and beyond, such as solar flares, X-ray binaries, and active galactic nuclei. However, such observations require a new breed of solid state detectors sensitive to high energy X-rays with fine independent pixels to sub-sample the point spread function (PSF) of the X-ray optics. For solar observations in particular, they must also be capable of handling very high count rates as photon fluxes from solar flares often cause pile up and saturation in present generation detectors. The Rutherford Appleton Laboratory (RAL) has recently developed a new cadmium telluride (CdTe) detector system, called HEXITEC (High Energy X-ray Imaging Technology). It is an 80 x 80 array of 250 micron independent pixels sensitive in the 2-200 keV band and capable of a high full frame read out rate of 10 kHz. HEXITEC provides the smallest independently read out CdTe pixels currently available, and are well matched to the few arcsecond PSF produced by current and next generation hard X-ray focusing optics. NASA's Goddard and Marshall Space Flight Centers are collaborating with RAL to develop these detectors for use on future space borne hard X-ray focusing telescopes. We show the latest results on HEXITEC's imaging capability, energy resolution, high read out rate, and reveal it to be ideal for such future instruments.

Baumgartner, Wayne H.↗
DOE OSTI2022

DarkNews: a Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering

We introduce DarkNews, a lightweight Python-based Monte-Carlo generator for beyond-the-Standard-Model neutrino-nucleus scattering. The generator handles the production and decay of heavy neutral leptons via additional vector or scalar mediators, as well as through transition magnetic moments. DarkNews samples pre-computed neutrino-nucleus upscattering cross sections and heavy neutrino decay rates to produce dilepton and single-photon events in accelerator neutrino experiments. We present two case studies with differential distributions for models that can explain the MiniBooNE excess. The aim of this code is to aid the neutrino theory and experimental communities in performing searches and sensitivity studies for new particles produced in neutrino upscattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Design and Development of an Automated Instrument for Measuring Radioactivity in an Excavator Bucket - 16246

Increasing interest and emphasis is being given to the presence of radioactive contamination in the environment and the methods by which this contamination can be remediated. Radioactive contamination may arise from industrial process including the operation of nuclear facilities. It may also arise from the enhancement of naturally occurring radioactive material by industrial processes. An area of particular concern is the remediation of soil and rubble with radioactive contamination. Traditional methods of soil remediation involve sampling followed by the excavation of areas where contamination is found. The soil removal process is normally very inefficient and can involve multiple handling of excessive quantities of soil and ultimately an over estimate of the quantity of soil with radioactive contamination. In order to both minimize material handling and to reduce the final volume of contaminated material, which must be handled for disposal, a sensitive instrument has been developed and tested which is designed to measure the radioactive content of an excavator bucket. The instrument detector is positioned automatically just above the open top of the bucket and the measurement employs a high efficiency sodium iodide crystal which has a graded shadow shield to reduce the effect of background radioactivity. The measurement efficiency is enhanced as the detector is located in close proximity to the soil in the bucket and the thick steel shell of the bucket acts as a shield to further reduce the effect of background from the ground below. The method has obvious advantages over methods, which attempt to measure the potentially radioactive soil through the shielding provided by the thick steel bucket shell. As the first stage of the bucket measurement the excavator operator fills the bucket and locates it in a designated position with the open top of the bucket facing upwards, close to the operator cab. A measurement technician, located outside the danger area of the excavator boom, begins the measurement using a tablet computer with a wireless connection to the instrument. The shielded detector is moved from a storage position above the operator cab to the measurement position close to the open surface of the excavator bucket. Once the measurement is completed in typically one to two minutes, the detector is repositioned in its storage location and the measurement data is transmitted to the tablet computer. At this point the measurement technician makes the decision based on the measurement results as to how to disposition the bucket contents. Typically contaminated material will be transferred to a vehicle for off-site disposal. Alternatively, and this is the great advantage of this technique, uncontaminated material may be returned directly to the site of the excavation without the need for further handling. The development, detailed design and preliminary testing of the instrument are described. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Generalized spectral method for near-field optical microscopy

Electromagnetic interaction between a sub-wavelength particle (the “probe”) and a material surface (the “sample”) is studied theoretically. The interaction is shown to be governed by a series of resonances corresponding to surface polariton modes localized near the probe. The resonance parameters depend on the dielectric function and geometry of the probe as well as on the surface reflectivity of the material. Calculation of such resonances is carried out for several types of axisymmetric probes: spherical, spheroidal, and pear-shaped. For spheroids, an efficient numerical method is developed, capable of handling cases of large or strongly momentum-dependent surface reflectivity. Application of the method to highly resonant materials, such as aluminum oxide (by itself or covered with graphene), reveals a rich structure of multi-peak spectra and nonmonotonic approach curves, i.e., the probe-sample distance dependence. These features also strongly depend on the probe shape and optical constants of the model. For less resonant materials such as silicon oxide, the dependence is weak, so that the spheroidal model is reliable. The calculations are done within the quasistatic approximation with radiative damping included perturbatively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Efficient and robust gradient enhanced Kriging emulators.

%E2%80%9CNaive%E2%80%9D or straight-forward Kriging implementations can often perform poorly in practice. The relevant features of the robustly accurate and efficient Kriging and Gradient Enhanced Kriging (GEK) implementations in the DAKOTA software package are detailed herein. The principal contribution is a novel, effective, and efficient approach to handle ill-conditioning of GEK's %E2%80%9Ccorrelation%E2%80%9D matrix, RN%CC%83, based on a pivoted Cholesky factorization of Kriging's (not GEK's) correlation matrix, R, which is a small sub-matrix within GEK's RN%CC%83 matrix. The approach discards sample points/equations that contribute the least %E2%80%9Cnew%E2%80%9D information to RN%CC%83. Since these points contain the least new information, they are the ones which when discarded are both the easiest to predict and provide maximum improvement of RN%CC%83's conditioning. Prior to this work, handling ill-conditioned correlation matrices was a major, perhaps the principal, unsolved challenge necessary for robust and efficient GEK emulators. Numerical results demonstrate that GEK predictions can be significantly more accurate when GEK is allowed to discard points by the presented method. Numerical results also indicate that GEK can be used to break the curse of dimensionality by exploiting inexpensive derivatives (such as those provided by automatic differentiation or adjoint techniques), smoothness in the response being modeled, and adaptive sampling. Development of a suitable adaptive sampling algorithm was beyond the scope of this work; instead adaptive sampling was approximated by omitting the cost of samples discarded by the presented pivoted Cholesky approach.

Dalbey, Keith R.↗
DOE OSTI2024

Reaching the potential of electron diffraction

Microcrystal electron diffraction (MicroED) is an emerging structural technique in which submicron crystals are used to generate diffraction data for structural studies. Structures allow for the study of molecular-level architecture and drive hypotheses about modes of action, mechanisms, dynamics, and interactions with other molecules. Combining cryoelectron microscopy (cryo-EM) instrumentation with crystallographic techniques, MicroED has led to three-dimensional structural models of small molecules, peptides, and proteins and has generated tremendous interest due to its ability to use vanishingly small crystals. In this perspective, we describe the current state of the field for MicroED methodologies, including making and detecting crystals of the appropriate size for the technique, as well as ways to best handle and characterize these crystals. Our perspective provides insight into ways to unlock the full range of potential for MicroED to access previously intractable samples and describes areas of future development.

3D ED↗
DOE OSTI2026

AI-assisted rapid crystal structure generation towards a target local environment

In material design, traditional crystal structure prediction approaches are expensive as they require extensive structural sampling through expensive energy minimization methods. Emerging artificial intelligence (AI) generative models have shown great promise in rapidly generating realistic crystals, but they typically handle only a few tens of atoms per unit cell. To overcome this limitation, we introduce a symmetry-informed approach, the Local Environment Geometry-Oriented Crystal Generator (LEGO-xtal). Our method generates initial structures using AI models trained on an augmented dataset, and then optimizes them using structure descriptors rather than energy-based optimization. We demonstrate its effectiveness by expanding from 25 known low-energy sp2 carbon allotropes to over 1700, all within 0.5 eV/atom of the ground-state energy of graphite. This framework offers a generalizable strategy for the targeted design of materials with modular building blocks, such as metal-organic frameworks and battery materials.

Ridwan, Osman Goni [University of North Carolina a↗
DOE OSTI2025

Detecting anomalous SRF cavity behavior with unsupervised learning

We present an unsupervised learning framework for detecting anomalous superconducting radio-frequency (SRF) cavity behavior at the Continuous Electron Beam Accelerator Facility (CEBAF), emphasizing its initial performance and effectiveness. Key to the system’s success was the development of data acquisition systems (DAQs) that capture fast-sampled, information-rich signals, essential for detecting transient effects. The approach involves creating daily cavity-specific models using principal component analysis to handle variations in rf signal behavior and mitigate performance degradation from data drift. This unsupervised method eliminates the need for expensive labeling by continuously updating models with recent data. Deployed and operational for 3 months before a scheduled shutdown, the system successfully identified several issues with DAQ signals, confirming its effectiveness. Despite access to only a fraction of CEBAF’s SRF cavity signals, the framework efficiently detected several instances requiring intervention, demonstrating a significant improvement over traditional, labor-intensive methods of manual plot inspection. Published by the American Physical Society 2025

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Feature Engineering and Ensemble Methods for Imbalanced ICS Intrusion Detection: Pipeline Audit and Constrained Evaluation

Industries are becoming increasingly connected and are more vulnerable to cyberattacks due to the widened attack surface. Industrial Control Systems (ICS) are among the most critical sectors that malicious actors can target, as such attacks can cause significant operational disruption and physical damage. It is imperative to detect such attacks as early as possible. This paper evaluates constraint-conditioned optimistic performance estimates for traditional ML models in ICS intrusion detection (i.e., estimates obtained under contiguous, non-shuffled temporal evaluation without test-set alteration, but with pre-split feature engineering that may introduce temporal leakage, due to dataset constraints). Our findings are threefold. First, we quantify how iterative feature engineering affects tree-based ensemble performance and examine how pipeline decisions (split strategy, sampling scope, and cleaning policy) can inflate or reduce reported IDS results under constraint-bound evaluation. Second, we compare intrinsic class-imbalance handling across ensemble models. Third, under our current pipeline constraints (including pre-split feature engineering), CatBoost achieves the best performance on Water Storage Tank (accuracy: 0.9831, class-1 F1: 0.9682), while Light- GBM achieves the best performance on Gas Pipeline (accuracy: 0.9618, class-1 F1: 0.9086).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Vitrification of Hanford Tank Waste 241-AP-105 in a Continuous Laboratory-Scale Melter

Low-activity waste (LAW) stored in underground tanks on the Hanford site in Washington State is planned to be filtered for solids removal and processed through ion exchange columns for cesium removal at the Low-Activity Waste Pretreatment System facility. These pretreatment steps will allow the waste to be transferred to the Hanford Tank Waste Treatment and Immobilization Plant LAW facility for immobilization into glass. The liquid waste will be combined with glass-forming chemicals (GFCs) to form a waste feed slurry that can be fed to electric melters for vitrification. The process of continuously converting the aqueous feed slurry into a melt is dynamic and includes multiple reactions, degassing, and dissolution processes that depend on heat from the melt below. In this conversion process, waste components are partitioned into one of two streams: glass and off-gas. Processing information and chemical information associated with these waste product streams has been requested by Washington River Protection Solutions for actual tank waste from tank 241-AP-105 (referred to as AP-105). To acquire this type of information, a small-scale melter system was desired that would not require high volumes of input waste or the large resource commitment of a full-scale melter system, while also providing dynamic information that would be difficult to determine from batch reactions in a crucible system. A continuous laboratory-scale melter (CLSM), has been designed to operate with a continuous feeding process, while periodically pouring glass product and collecting off-gas. The CLSM vessel has been sized to collect the relevant process and chemical information from obtainable volumes of AP-105 waste samples. Two CLSMs were constructed: one in a non-radioactive environment for processing waste simulants and another in a fume hood capable of handling radioactive material for processing actual Hanford tank waste. This dual-system setup allowed for comparison between simulated and real tank waste with essentially identical test equipment. AP-105 waste simulant was first tested in the non-radioactive CLSM to determine the processability and desired operating window for the actual tank waste. Rhenium (Re) was added to the simulant to act as a surrogate for technetium-99 ( 99 Tc), a key waste component found in the actual tank waste. The partitioning of Re into the glass and off-gas products during the continuous feeding of simulant was determined, which allowed the Re retention, the mass flow rate of Re out of the CLSM via the glass product with respect to the mass flow rate of Re into the CLSM via the feed slurry, to be calculated. Key processing results and the average Re retention, from the CLSM test run with AP-105 simulant feed slurry are shown in Table ES.1.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

An Optimal Strategy for Accurate Bulge-to-disk Decomposition of Disk Galaxies

The development of two-dimensional (2D) bulge-to-disk decomposition techniques has shown their advantages over traditional one-dimensional (1D) techniques, especially for galaxies with non-axisymmetric features. However, the full potential of 2D techniques has yet to be fully exploited. Secondary morphological features in nearby disk galaxies, such as bars, lenses, rings, disk breaks, and spiral arms, are seldom accounted for in 2D image decompositions, even though some image-fitting codes, such as GALFIT, are capable of handling them. We present detailed, 2D multi-model and multi-component decomposition of high-quality R -band images of a representative sample of nearby disk galaxies selected from the Carnegie-Irvine Galaxy Survey, using the latest version of GALFIT. The sample consists of five barred and five unbarred galaxies, spanning Hubble types from S0 to Sc. Traditional 1D decomposition is also presented for comparison. In detailed case studies of the 10 galaxies, we successfully model the secondary morphological features. Through a comparison of best-fit parameters obtained from different input surface brightness models, we identify morphological features that significantly impact bulge measurements. We show that nuclear and inner lenses/rings and disk breaks must be properly taken into account to obtain accurate bulge parameters, whereas outer lenses/rings and spiral arms have a negligible effect. We provide an optimal strategy to measure bulge parameters of typical disk galaxies, as well as prescriptions to estimate realistic uncertainties of them, which will benefit subsequent decomposition of a larger galaxy sample.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

A study of degradation of plates for nickel-cadmium spacecraft cells

The relative merits of coining and not coining of sintered nickel-oxide and cadmium plates was investigated. A survey of the industry including cell manufactures and users was made and results summarized. Sample plate materials from most commercial cell suppliers were obtained and characterized for properties that may correlate with the tendency toward physical disintegration during handling and over long periods of time in the cell. Special test methods were developed to obtain comparative data in a short time. A wide range of physical properties and coining thicknesses was observed, resulting in a range of responses. The stronger, less brittle materials resisted loss of sinter better than weaker materials whether or not coined. Coining improved handling and resistance to electrochemical cycling in all materials tested. An apparent exception was found to be due to improper coining of a tapered edge.

Scott, W. R.↗