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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

BEYONDPLANCK III. Commander3

We describe the computational infrastructure for end-to-end Bayesian cosmic microwave background (CMB) analysis implemented by the BeyondPlanck Collaboration. The code is called Commander3. It provides a statistically consistent framework for global analysis of CMB and microwave observations and may be useful for a wide range of legacy, current, and future experiments. The paper has three main goals. Firstly, we provide a high-level overview of the existing code base, aiming to guide readers who wish to extend and adapt the code according to their own needs or re-implement it from scratch in a different programming language. Secondly, we discuss some critical computational challenges that arise within any global CMB analysis framework, for instance in-memory compression of time-ordered data, fast Fourier transform optimization, and parallelization and load-balancing. Thirdly, we quantify the CPU and RAM requirements for the current BEYONDPLANCK analysis, finding that a total of 1.5 TB of RAM is required for efficient analysis and that the total cost of a full Gibbs sample for LFI is 170 CPU-hrs, including both low-level processing and high-level component separation, which is well within the capabilities of current low-cost computing facilities. The existing code base is made publicly available under a GNU General Public Library (GPL) license.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Computationally efficient models for aqueous organic redox flow batteries

The rising usage of intermittent energy has garnered the need for large scale energy storage systems. Redox flow batteries (RFB) based energy storage system shows promising potential. Numerical simulations and machine learning approaches have been widely used to study RFB performance. The development of autonomous material discovery framework and digital twin of energy storage system usually needs to query cell performance through fast response models. In this study, two computationally efficient models are introduced: a physics-based analytical flow battery model (EZBattery), and a machine learning operator model (Deep Operator Network, denoted by DeepONet). Both models can provide cell performance near instantly, and prediction accuracy was systematically examined on an application of evaluating the performances of a 780 cm 2 aqueous organic redox flow battery (AORFB), using potential anolyte candidates in dihydroxyphenazine (DHP)-based family of organic materials. A validated computationally expansive 3-dimensional multi-physics finite element model by COMSOL was used as the ground truth and provided the training data set for the DeepONet. 1280 samples were generated with 10 properties to mimic the different possible anolyte candidates, and the cell performances were evaluated under 10 different combined operating conditions. The accuracy comparisons for the two computationally efficient models show that both models can provide comparable accuracy in predicting cell charging/discharging voltage curves. DeepONet can provide slightly higher overall accuracy than EZBattery with faster calculation speed, but highly relies on the training dataset. EZBattery does not need a training dataset and can provide interpretable physics-based explanations of the results, while being more flexible to adjust to adapt any different cell designs, flow battery architectures, and electrolyte materials.

Analytical model↗
NASA NTRS2011

The Invasive Species Forecasting System

The Invasive Species Forecasting System (ISFS) provides computational support for the generic work processes found in many regional-scale ecosystem modeling applications. Decision support tools built using ISFS allow a user to load point occurrence field sample data for a plant species of interest and quickly generate habitat suitability maps for geographic regions of management concern, such as a national park, monument, forest, or refuge. This type of decision product helps resource managers plan invasive species protection, monitoring, and control strategies for the lands they manage. Until now, scientists and resource managers have lacked the data-assembly and computing capabilities to produce these maps quickly and cost efficiently. ISFS focuses on regional-scale habitat suitability modeling for invasive terrestrial plants. ISFS s component architecture emphasizes simplicity and adaptability. Its core services can be easily adapted to produce model-based decision support tools tailored to particular parks, monuments, forests, refuges, and related management units. ISFS can be used to build standalone run-time tools that require no connection to the Internet, as well as fully Internet-based decision support applications. ISFS provides the core data structures, operating system interfaces, network interfaces, and inter-component constraints comprising the canonical workflow for habitat suitability modeling. The predictors, analysis methods, and geographic extents involved in any particular model run are elements of the user space and arbitrarily configurable by the user. ISFS provides small, lightweight, readily hardened core components of general utility. These components can be adapted to unanticipated uses, are tailorable, and require at most a loosely coupled, nonproprietary connection to the Web. Users can invoke capabilities from a command line; programmers can integrate ISFS's core components into more complex systems and services. Taken together, these features enable a degree of decentralization and distributed ownership that have helped other types of scientific information services succeed in recent years.

Schnase, John↗
NASA NTRSDate not supplied

A Generalized Guidance Approach to In-Space Solid-Propellant Vehicle Maneuvers

Exploration-class vehicles that require fully autonomous ascent and descent must employ robust, explicit path-adaptive guidance algorithms that can operate in a wide range of physical environments. Vehicle designs that employ solid-propellant rocket motors (SRMs) for maneuvers are attractive from a systems engineering perspective because of their simplicity and reliability, but may cause complications for both mission designers and GNC engineers when dealing with total impulse uncertainty, as well as proper energy management of a motor with an uncontrolled cutoff time. This paper presents a simplified guidance algorithm, named Simple Cross-Product Steering (SxS), that was derived during early studies of NASA’s Mars Sample Return mission’s Mars Ascent Vehicle. The algorithm takes roots in a flight-proven guidance algorithm commonly referred to as Cross-Product Steering. SxS has been shown to provide sufficient guidance accuracy for in-space SRM burns in a simulated Martian environment, and preliminary studies have been conducted to test the algorithm in a solid-propellant lunar braking scenario. A method for predicting proper motor ignition time during execution of the Cross-Product Steering algorithm is the primary contribution of this paper. Mechanization notes are also provided that were realized in early phases of MAV. Results are shown for an example ascent vehicle in a simulated Mars environment.

GNC↗
NASA NTRS2020

A Generalized Guidance Approach to In-Space Solid-Propellant Vehicle Maneuvers

Exploration-class vehicles that require fully autonomous ascent and descent must employ robust, explicit path-adaptive guidance algorithms that can operate in a wide range of physical environments. Vehicle designs that employ solid-propellant rocket motors (SRMs) for maneuvers are attractive from a system engineering perspective because of their simplicity and reliability but may cause complications for both mission designers and GNC engineers when dealing with total impulse uncertainty, as well as proper energy management of a motor with an uncontrolled cutoff time. This paper presents a simplified guidance algorithm, named Simple Cross-Product Steering (SxS), that was derived during early studies of NASA’s Mars Sample Return mission’s Mars Ascent Vehicle. The algorithm takes roots in a flight-proven guidance algorithm commonly referred to as Cross-Product Steering. This algorithm has been shown to provide sufficient guidance accuracy for in-space SRM burns in a simulated Martian environment, and preliminary studies have been conducted to test the algorithm in a solid-propellant lunar braking scenario. A method for predicting proper motor ignition time during execution of the Cross-Product Steering algorithm is the primary contribution of this paper. Mechanization notes are also provided that were realized in early phases of MAV. Results are shown for an example ascent vehicle a simulated Mars environment.

Jason M Everett↗
DOE OSTI2021

Phase noise limited frequency shift impulsive Raman spectroscopy

We introduce a method to enable optical amplification of a coherent Raman spectroscopy signal, which we call radio frequency (RF) Doppler Raman spectroscopy. In this article, we consider the perturbation of a probe pulse in a sample due to an excited Raman vibrational coherence as a generalized Doppler shift, which connects a time-varying optical path length (the product of the propagation length and refractive index, OPL = n ℓ) with an optical frequency shift. Amplification of a Raman signal outside of the focused interaction is enabled by converting the Doppler frequency shift experienced by a laser probe pulse into a periodic timing jitter. This transit time perturbation is detected through the phase of a RF electronic signal measured at a harmonic of the probe pulse train with a method adapted from precision metrology techniques used to measure laser pulse train timing jitter. Measurement of a timing jitter allows access to much lower noise floors than other coherent Raman techniques, and by exploiting the new capability to scale the signal of a coherent Raman spectroscopic signal, this method opens the potential to detect very weak Raman signals that are currently not observable due to limits of illumination intensity imposed by laser damage to the specimen and noise.

47 OTHER INSTRUMENTATION↗
NASA NTRS2024

Transfer-AE: A novel autoencoder-based impact detection model for structural digital twin

Accurately detecting the location and intensity of impacts is crucial for ensuring structural safety. Currently, AI-based structural impact detection methods are widely used for their excellent detection accuracy. However, their generalization capability is limited by the scenarios present in the training data. Many complex and dangerous impact scenarios are difficult to conduct real-world experiments on to collect sufficient samples. To capture all impact scenarios and fully leverage the advantages of AI-based detection technologies, advanced methods involve combining real-world structural monitoring data with corresponding numerical models to construct digital twins. These methods continuously refine the created numerical models with limited real-world data and provide diverse impact scenarios through numerical model simulations. However, there are inevitable differences between digital models and physical models that are challenging to correct through mechanical means. This discrepancy in data distribution between the two models significantly hinders the application of digital twin technology in impact/event identification tasks. To address this challenge, this study proposes a novel model based on autoencoders, named Transfer-AE. Transfer-AE encodes the common features of digital twins in the latent space to bridge the uncertainty gap at a macro scale between numerical models and physical models and synchronously fits the magnitude and location of the impact load in the decoder. This enables consistent detection results for the same impact event, whether the sample comes from the numerical model or the physical model. Transfer-AE includes two operating modes: Mode 1 has a fixed computational complexity with stable inference speed, but the training cost and difficulty increase with data distribution. Mode 2's computational complexity increases with data distribution, but it has a fixed training cost and speed. In both cases involving the geodesic dome structure simulating a deep space habitat and the IASC-ASCE benchmark structure, Transfer-AE demonstrated the best performance in impact localization and quantification tasks compared to mainstream domain-adaptive transfer models.

Chengjia Han↗
DOE OSTI2026

A new cw-NMR Q-meter for dynamically polarized targets for particle physics

Polarized solid targets produced via Dynamic Nuclear Polarization rely on Continuous-Wave Nuclear Magnetism Resonance measurements to accurately determine the degree of polarization of bulk samples polarized to nearly 100%. Since the late 1970's phase sensitive detection methods have been utilized to observe the magnetization of a sample as a small change in inductance under RF excitation near the Larmor frequency of the nuclear species of interest, using a device known as a Q-meter. Liverpool Q-meters, produced in the UK in the 80's and 90's, have been the workhorse devices for these targets for decades, however their age and scarcity has meant new systems are needed. In conclusion, we describe a Q-meter system designed and built at Jefferson Lab in the Liverpool style to have comparable electronic performance with several improvements to update and adapt the devices for modern use.

Dynamic nuclear polarization↗
DOE OSTI2021

Probing subwavelength in-plane anisotropy with antenna-assisted infrared nano-spectroscopy

Infrared nano-spectroscopy based on scattering-type scanning near-field optical microscopy (s-SNOM) is commonly employed to probe the vibrational fingerprints of materials at the nanometer length scale. However, due to the elongated and axisymmetric tip shank, s-SNOM is less sensitive to the in-plane sample anisotropy in general. In this article, we report an easy-to-implement method to probe the in-plane dielectric responses of materials with the assistance of a metallic disk micro-antenna. As a proof-of-concept demonstration, we investigate here the in-plane phonon responses of two prototypical samples, i.e. in (100) sapphire and x-cut lithium niobate (LiNbO 3 ). In particular, the sapphire in-plane vibrations between 350 cm–1 to 800 cm–1 that correspond to LO phonon modes along the crystal b- and c-axis are determined with a spatial resolution of < λ/10, without needing any fitting parameters. In LiNbO 3 , we identify the in-plane orientation of its optical axis via the phonon modes, demonstrating that our method can be applied without prior knowledge of the crystal orientation. Furthermore, our method can be elegantly adapted to retrieve the in-plane anisotropic response of a broad range of materials, i.e. subwavelength microcrystals, van-der-Waals materials, or topological insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Gaming the beamlines—employing reinforcement learning to maximize scientific outcomes at large-scale user facilities

Abstract Beamline experiments at central facilities are increasingly demanding of remote, high-throughput, and adaptive operation conditions. To accommodate such needs, new approaches must be developed that enable on-the-fly decision making for data intensive challenges. Reinforcement learning (RL) is a domain of AI that holds the potential to enable autonomous operations in a feedback loop between beamline experiments and trained agents. Here, we outline the advanced data acquisition and control software of the Bluesky suite, and demonstrate its functionality with a canonical RL problem: cartpole. We then extend these methods to efficient use of beamline resources by using RL to develop an optimal measurement strategy for samples with different scattering characteristics. The RL agents converge on the empirically optimal policy when under-constrained with time. When resource limited, the agents outperform a naive or sequential measurement strategy, often by a factor of 100%. We interface these methods directly with the data storage and provenance technologies at the National Synchrotron Light Source II, thus demonstrating the potential for RL to increase the scientific output of beamlines, and layout the framework for how to achieve this impact.

36 MATERIALS SCIENCE↗
NASA NTRS1999

In Situ Identification of Mineral Resources with an X-Ray-Optical "Hands-Lens" Instrument

The recognition of material resources on a planetary surface requires exploration strategies not dissimilar to those employed by early field geologists who searched for ore deposits primarily from surface clues. In order to determine the location of mineral ores or other materials, it will be necessary to characterize host terranes at regional or subregional scales. This requires geographically broad surveys in which statistically significant numbers of samples are rapidly scanned from a roving platform. To enable broad-scale, yet power-conservative planetary-surface exploration, we are developing an instrument that combines x-ray diffractometry (XRD), x-ray fluorescence spectrometry (XRF), and optical capabilities; the instrument can be deployed at the end of a rover's robotic arm, without the need for sample capture or preparation. The instrument provides XRD data for identification of mineral species and lithological types; diffractometry of minerals is conducted by ascertaining the characteristic lattice parameters or "d-spacings" of mineral compounds. D-spacings of 1.4 to 25 angstroms can be determined to include the large molecular structures of hydrated minerals such as clays. The XRF data will identify elements ranging from carbon (Atomic Number = 6) to elements as heavy as barium (Atomic Number = 56). While a sample is being x-rayed, the instrument simultaneously acquires an optical image of the sample surface at magnifications from lx to at least 50x (200x being feasible, depending on the sample surface). We believe that imaging the sample is extremely important as corroborative sample-identification data (the need for this capability having been illustrated by the experience of the Pathfinder rover). Very few geologists would rely on instrument data for sample identification without having seen the sample. Visual inspection provides critical recognition data such as texture, crystallinity, granularity, porosity, vesicularity, color, lustre, opacity, and so forth. These data can immediately distinguish sedimentary from igneous rocks, for example, and can thus eliminate geochemical or mineral ambiguities arising, say between arkose and granite. It would be important to know if the clay being analyzed was part of a uniform varve deposit laid down in a quiescent lake, or the matrix of a megabreccia diamictite deposited as a catastrophic impact ejecta blanket. The unique design of the instrument, which combines Debye-Scherrer geometry with elements of standard goniometry, negates the need for sample preparation of any kind, and thus negates the need for power-hungry and mechanically-complex sampling systems that would have to chip, crush, sieve, and mount the sample for x-ray analysis. Instead, the instrument is simply rested on the sample surface of interest (like a hand lens); the device can interrogate rough rock surfaces, coarse granular material, or fine rock flour. A breadboard version of the instrument has been deployed from the robotic arm of the Marsokhod rover in field trials at NASA Ames, where large vesicular boulders were x-rayed to demonstrate the functionality of the instrument design, and the ability of such a device to comply with constraints imposed by a roving platform. Currently under development is a flight prototype concept of this instrument that will weigh 0.3 kg, using about 4500 J of energy per sample analysis. It requires about 5 min. for XRD analysis, and about 30 min. for XRF interrogation. Its small mass and rugged design make it ideal for deployment on small rovers of the type currently envisaged for the exploration of Mars (e.g., Sojourner-scale platforms). The design utilizes a monolithic P-N junction photodiode pixel array for XRD, a Si PIN photodiode/avalanche photodiode system for XRF, and an endoscopic imaging camera system unobtrusively embedded between the detectors and the x-ray source (the endoscope with its board-mounted camera can be adapted for IR light in addition to visible wavelenths. A rugged, miniature (7 cu cm) x-ray source for the instrument has already been breadboarded.

Marshall, J.↗
NASA NTRS2001

Application of Computer Tomography for Life Detection

Perhaps one of the most fundamentally difficult challenges facing those who would search for life is that of scale determination. Spatial scales of life on Earth range over more than 15 orders of magnitude in mass and volume, and more than 8 orders of magnitude in 2 dimensional space. If the distribution of life is sparse in comparison to the background on which it is found, then the choice of the right scale is critical to finding that life. But how does one identify the proper scale? To put this in other words, how does one recognize the "haystacks" in which the needles (biosignatures and evidence of life) might be most profitably searched for? The problem is further exacerbated when conditions get extreme because much of the life moves from the clement surface environment into the pores and more clement environments inside of rocks, minerals and soils. Once encased in their lithic homes, these microbes become nearly impossible to study by standard techniques because of the opacity of the rocks. It is this problem that we propose to address in the work proposed here. Computer Tomography (CT) has been a very valuable tool in medicine, where the best resolution available has typically been of the order of about 0.5 mm. However, to adapt the approach for life detection of microbial endoliths, the resolution needs to be moved to the micrometer and even submicrometer levels. Thus for the studies proposed here, we begin with a commercially available instrument that can yield resolution of approximately 10 micrometers. The rational for this is twofold: first, this is the "state of the art" in laboratory instruments; and second, that while the usual size of a microbial cell is about 1 micron, microorganisms tend to live in communities that usually exceed the 10 micrometer size range. The resolution also depends on the sample size itself, so having a small lab instrument into which small samples can be placed will be beneficial to the resolution. We have now used several different CT systems, beginning with the medical scanners (Arcadia CT group) for the detection of layered communities in sandstone rocks from Antarctica. Even this crude instrument was able to point to the areas of the rock that were dominated by microbial populations - this provides the critical first information that says, "Go back and look at these sites with other methods." We showed that without sample preparation or destruction it was possible to gain knowledge as to the presence of density differences suggestive of life.

Tsapin, A.↗
NASA NTRS2003

Evaluation of Neutral Body Posture on Shuttle Mission STS-57 (SPACEHAB-1)

Research has shown that the space environment induces physiological changes in the human body, such as fluid shifts in the upper body and chest cavity, spinal lengthening, muscular atrophy, space motion sickness, cardiopulmonary deconditioning, and bone mass loss, as well as some changes in visual perception. These require a period of adaptation and can substantially affect both crew member performance and posture. These physiological effects, when work activities are conducted, have been known to impact the body's center of gravity, reach, flexibility, and dexterity. All these aspects of posture must be considered to safely and efficiently design space systems and hardware. NASA has documented its microgravity body posture in the Man-Systems Integration Standards (MSIS); the space community uses the MSIS posture to design workstations and tools for space application. However, the microgravity body posture should be further investigated for several reasons, including small sample size in previous studies, possible imprecision, and lack of detail. JSC undertook this study to investigate human body posture exhibited under microgravity conditions. STS-57 crew members were instructed to assume a relaxed posture that was not oriented to any work area or task. Crew members were asked to don shorts and tank tops and to be blindfolded while data were recorded. Video data were acquired once during the mission from each of the six crew members. No one crew member exhibited the typical NBP called out in the MSIS; one composite posture is not adequate. A range of postures may be more constructive for design purposes. Future evaluations should define precise posture requirements for workstation, glove box, maintenance, foot-restraint, and handhold activities.

Mount, Frances E.↗
NASA NTRS2019

Surface Biology & Geology Pathfinder Data Analysis Pipeline

NASA's future global orbital mission, currently in development as the Surface Biology and Geology (SBG) Designated Observable study, will acquire relatively high resolution solar-reflected spectroscopy and thermal infrared observations. Innovative processes must be utilized for handling the high volume of data anticipated to be collected, which is anticipated to exceed 100 terabytes/day, greater than NASA's total extant airborne hyperspectral data collection. Collecting, processing/re-processing, disseminating, and exploiting this volume of data presents new challenges. To begin addressing them, NASA is drawing upon the expertise developed from its astrophysics programs to address Earth science and applications. Specifically, NASA is adapting the science processing operations technology developed for the Kepler and TESS planet-hunting missions for imaging spectroscopy data processing. This technology development has been the foundation for the remarkable scientific successes of Kepler and TESS. The Kepler/TESS data processing technology provides a scalable architecture for robust, repeatable, and replicable science and application products while enabling the Earth science community to develop, test, and implement new algorithms. Our effort to leverage this existing capability has begun by ingesting data and applying workflows from the EO-1/Hyperion 17-year mission archive that provides globally sampled visible through shortwave infrared spectra that are representative of SBG data types and volumes. This pathfinding data processing system will help define the solutions to processing SBG data volumes and will enable the scientific community to interact with the data and processing pipeline to create new science products.

Jenkins, Jon↗
NASA NTRS2018

Real-Time Adaptive Drag Minimization Wind Tunnel Investigation of a Flexible Wing with Variable Camber Continuous Trailing Edge Flap System

This paper reports the results of a recently completed real-time adaptive drag minimization wind tunnel investigation of a highly flexible wing wind tunnel model equipped with the Variable Camber Continuous Trailing Flap (VCCTEF) technology at the University of Washington Aeronautical Laboratory (UWAL). The wind tunnel investigation is funded by NASA SBIR Phase II contract with Scientific Systems Company, Inc. (SSCI) and University of Washington (UW) as a subcontractor. The wind tunnel model is a sub-scale Common Research Model (CRM) wing constructed of foam core and fiberglass skin and is aeroelastically scaled to achieve a wing tip deflection of 10% of the wing semi-span which represents a typical wing tip deflection for a modern transport such as Boeing 787. The jig-shape twist of the CRM wing is optimized using a CART3D aero-structural model to achieve the minimum induced drag for the design cruise lift coefficient of 0.5. The wing is equipped with two chord wise cambered segments for each of the six span wise flap sections for a total of 12 individual flap segments that comprise the VCCTEF system. Each of the 12 flap segments is actively controlled by an electric servo-actuator. The real-time adaptive drag optimization strategy includes an on-board aerodynamic model identification, a model excitation, and a real-time drag optimization. The on-board aerodynamic model is constructed parametrically as a function of the angle of attack and flap positions to model the lift and drag coefficients of the wing. The lift coefficient models include a linear model and a second-order model. The drag coefficient models include a quadratic model and a higher-order up to 6th-order model to accurately model the drag coefficient at high angles of attack. The onboard aerodynamic model identification includes a recursive least-squares (RLS) algorithm and a batch least-squares (BLS) algorithm designed to estimate the model parameters. The model excitation method is designed to sample the input set that comprises the angle of attack and the flap positions. Three model excitation methods are developed: random excitation method, sweep method, and iterative angle-of-attack seeking method. The real-time drag optimization includes a generic algorithm developed by SSCI and several optimization methods developed by NASA which include a second-order gradient Newton-Raphson optimization method, an iterative gradient optimization method, a pseudo-inverse optimization method, an analytical optimization method, and an iterative refinement optimization method. The first wind tunnel test entry took place in September 2017. This test revealed major hardware issues and required further redesign of the flap servo mechanisms. The second test entry took place in April 2018. However, the test was not successful due to the issues with the onboard aerodynamic model identification RLS algorithm which incorrectly identified model parameters. This test also provides an experimental comparison study between the VCCTEF and a variable camber discrete trailing edge flap (VCDTEF) without the elastomer transition mechanisms. The experimental result confirms the benefit of the VCCTEF which produces lower drag by 5% than the VCDTEF. The third and final test entry took place in June 2018 after the issues with the RLS algorithm have been identified and corrected. Additional improvements were implemented. These include the BLS algorithm, the iterative angle-of-attack seeking method, the iterative gradient optimization method, and the pseudo-inverse optimization method. The test objectives were successfully demonstrated as the real-time drag optimization identifies several optimal solutions at off-design lift coefficients. The iterative gradient optimization method is found to achieve up to 4.7% drag reduction for the off-design lift coefficient of 0.7. The pseudo-inverse optimization method which does not require the drag coefficient model is found to be quite effective in reducing drag. Up to 9.4% drag reduction for the off-design lift coefficient of 0.7 is achieved with the pseudo-inverse optimization method. The wind tunnel investigation demonstrates the potential of real-time drag optimization technology. Several new capabilities are developed that could enable future adaptive wing technologies for flexible wings equipped with drag control devices such as the VCCTEF.

Drag Optimization↗
DOE OSTI2022

Automated Crystal Orientation Mapping in py4DSTEM using Sparse Correlation Matching

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is crucial, but the information extracted from the diffraction condition probed by an electron beam is often incomplete. We have developed an automated crystal orientation mapping (ACOM) procedure which uses a converged electron probe to collect diffraction patterns from multiple locations across a complex sample. We provide an algorithm to determine the orientation of each diffraction pattern based on a fast sparse correlation method. We demonstrate the speed and accuracy of our method by indexing diffraction patterns generated using both kinematical and dynamical simulations. We have also measured orientation maps from an experimental dataset consisting of a complex polycrystalline twisted helical AuAgPd nanowire. From these maps we identify twin planes between adjacent grains, which may be responsible for the twisted helical structure. All of our methods are made freely available as open source code, including tutorials which can be easily adapted to perform ACOM measurements on diffraction pattern datasets.

36 MATERIALS SCIENCE↗
NASA NTRS1980

An interactive modular design for computerized photometry in spectrochemical analysis

A general functional description of totally automatic photometry of emission spectra is not available for an operating environment in which the sample compositions and analysis procedures are low-volume and non-routine. The advantages of using an interactive approach to computer control in such an operating environment are demonstrated. This approach includes modular subroutines selected at multiple-option, menu-style decision points. This style of programming is used to trace elemental determinations, including the automated reading of spectrographic plates produced by a 3.4 m Ebert mount spectrograph using a dc-arc in an argon atmosphere. The simplified control logic and modular subroutine approach facilitates innovative research and program development, yet is easily adapted to routine tasks. Operator confidence and control are increased by the built-in options including degree of automation, amount of intermediate data printed out, amount of user prompting, and multidirectional decision points.

Bair, V. L.↗
DOE OSTI2025

The evolution of analytical techniques for multiplex analysis of protein biomarkers

Introduction: The landscape of biomarker development has evolved with advanced analytical technologies, particularly affinity- and mass spectrometry-based techniques. These advancements have deepened our understanding of disease mechanisms, enabling the development of precise diagnostic tools and personalized medicine. Protein biomarkers, which play pivotal roles in biological processes, have become invaluable in diagnosing and monitoring diseases, aided by their presence in various biological samples and the availability of established detection methods. Areas covered: This review covers the role of protein biomarkers in clinical practice, the development and dimensionality of protein biomarkers, advancements in detection technologies, a comparison of these technologies, and future directions in biomarker discovery and disease mechanism elucidation. Expert opinion: Advances in biomarker technologies have the potential to transform diagnostics and personalized treatment but face challenges such as high costs and technical complexity. Enhancing reproducibility and integrating multi-omics approaches may offer better insights. In conclusion, the field should evolve toward high-throughput, automated methods, continuously adapting research, and clinical practices.

59 BASIC BIOLOGICAL SCIENCES↗