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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 OSTI2025

SLIA Reference Architecture Models

The SLIA Reference Architecture Models project, sponsored by the DOE CESER Energy CyberSense Program (Oct 2024–Sep 2025), advanced LLNL’s PySCES simulation tool to better support CyTRICS Prioritization and Initial Risk Assessment (PIRA) reference architectures. Key achievements include enhancements to the PySCES transmission substation facility model, expanded asset coverage, and enhancements to the PySCES code base. Software improvements reduced code complexity, migrated PySCES to Python version 3.11, introduced an object-oriented design, and added a schema database for easier updates and validation. New features support device criticality assessments and a more precise parametric simulation mode. Remaining gaps include model validation, workflow limitations, Monte Carlo convergence issues, full device criticality metric implementation, model fidelity, and general software improvements. Continued development is recommended to address these gaps and fully align PySCES with CyTRICS PIRA requirements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

A quadrant-CCD star tracker

The characteristics of a quadrant-CCD designed for pointing and tracking are discussed with reference to its use in an adaptive optics program. The quadrant-CCD is used to correct stellar image motion proceeding from atmospheric turbulence by means of a system in which a sensor measures the image offset and sends data to a high-speed tip/tilt mirror. The design and control of the device are detailed, including four 100-micron-square pixels, the quadrant architecture, controller electronics, and data acquisition computer and interface. The transfer function is set forth in the x and y directions, and transfer curves are shown. A laboratory simulation of random image motion was conducted to evaluate the performance of the quadrant-CCD as an image motion sensor, and the experimental results are presented. The suitability of the quadrant-CCD for space-based pointing and tracking uses is demonstrated by this test and two earlier theoretical studies. Some future developments which improve performance capabilities are mentioned.

Clampin, M.↗
NASA NTRS1991

A Code Phase Division Multiple Access (CPDMA) technique for VSAT satellite communications

A reference concept and implementation relevant to the application of Code Phase Division Multiple Access (CPDMA) to a high capacity satellite communication system providing 16 Kbps single hop channels between Very Small Aperture Terminals (VSAT's) is described. The description includes a potential implementation of an onboard CPDMA bulk demodulator/converter utilizing programmable charge coupled device (CCD) technology projected to be available in the early 1990's. A high level description of the system architecture and operations, identification of key functional and performance requirements of the system elements, and analysis results of end-to-end system performance relative to key figures of merit such as spectral efficiency are also provided.

Bruno, R.↗
NASA NTRS1995

Mechanism For Adjustment Of Commutation Of Brushless Motor

Mechanism enables adjustment of angular position of set of Hall-effect devices that sense instantaneous shaft angle of brushless dc motor. Outputs of sensors fed to commutation circuitry. Measurement of shaft angle essential for commutation; that is, application of voltage to stator windings must be synchronized with shaft angle. To obtain correct angle measurement for commutation, Hall-effect angle sensors positioned at proper reference angle. The present mechanism accelerates adjustment procedure and makes it possible to obtain more accurate indication of minimum-current position because it provides for adjustment while motor running.

Schaefer, Richard E.↗
NASA NTRS2006

High-frequency ECG

The standard ECG is by convention limited to 0.05-150 Hz, but higher frequencies are also present in the ECG signal. With high-resolution technology, it is possible to record and analyze these higher frequencies. The highest amplitudes of the high-frequency components are found within the QRS complex. In past years, the term "high frequency", "high fidelity", and "wideband electrocardiography" have been used by several investigators to refer to the process of recording ECGs with an extended bandwidth of up to 1000 Hz. Several investigators have tried to analyze HF-QRS with the hope that additional features seen in the QRS complex would provide information enhancing the diagnostic value of the ECG. The development of computerized ECG-recording devices that made it possible to record ECG signals with high resolution in both time and amplitude, as well as better possibilities to store and process the signals digitally, offered new methods for analysis. Different techniques to extract the HF-QRS have been described. Several bandwidths and filter types have been applied for the extraction as well as different signal-averaging techniques for noise reduction. There is no standard method for acquiring and quantifying HF-QRS. The physiological mechanisms underlying HF-QRS are still not fully understood. One theory is that HF-QRS are related to the conduction velocity and the fragmentation of the depolarization wave in the myocardium. In a three-dimensional model of the ventricles with a fractal conduction system it was shown that high numbers of splitting branches are associated with HF-QRS. In this experiment, it was also shown that the changes seen in HF-QRS in patients with myocardial ischemia might be due to the slowing of the conduction velocity in the region of ischemia. This mechanism has been tested by Watanabe et al by infusing sodium channel blockers into the left anterior descending artery in dogs. In their study, 60 unipolar ECGs were recorded from the entire ventricular surface and were signal-averaged and filtered in the 30-250 Hz frequency range. The results showed that the decrease noted in the HF-QRS correlated linearly with the local conduction delay. The results suggest that HF-QRS is a potent indicator of disturbed local conduction. An alternative theory is that HF-QRS reflect the shape of the original electrocardiographic signal. Bennhagen et al showed that root mean square (RMS) voltage values of the depolarization signal correlate poorly with the signal amplitude but highly with the first and second derivatives, i.e. the velocity and the acceleration of the signal. It has also been suggested that the autonomic nervous system affects HF-QRS. For example, sitting up causes significant changes in HF-QRS in some leads compared to the supine position [Douglas et al., 2006]. Unpublished results indicate that familial dysautonomic patients (both vagal and sympathetic degeneration) have very little Reduced Amplitude Zones (RAZ) formation . Athletic individuals, especially elite athletes, who have vagally-mediated changes on the conventional ECG (i.e. early repolarization, bradycardia) have increased RAZ formation. Further electrophysiological studies are needed, however, to better understand the underlying mechanisms of HF-QRS. Several investigators have studied HF-QRS in different cardiac conditions, including acute myocardial ischemia and myocardial infarction (MI). However, in order for clinicians to confidently use HF-QRS as an adjunct to standard ECG, more knowledge about the characteristics of HF-QRS is needed.

Tragardh, Elin↗
NASA NTRS2007

Broadband Phase Retrieval for Image-Based Wavefront Sensing

A focus-diverse phase-retrieval algorithm has been shown to perform adequately for the purpose of image-based wavefront sensing when (1) broadband light (typically spanning the visible spectrum) is used in forming the images by use of an optical system under test and (2) the assumption of monochromaticity is applied to the broadband image data. Heretofore, it had been assumed that in order to obtain adequate performance, it is necessary to use narrowband or monochromatic light. Some background information, including definitions of terms and a brief description of pertinent aspects of image-based phase retrieval, is prerequisite to a meaningful summary of the present development. Phase retrieval is a general term used in optics to denote estimation of optical imperfections or aberrations of an optical system under test. The term image-based wavefront sensing refers to a general class of algorithms that recover optical phase information, and phase-retrieval algorithms constitute a subset of this class. In phase retrieval, one utilizes the measured response of the optical system under test to produce a phase estimate. The optical response of the system is defined as the image of a point-source object, which could be a star or a laboratory point source. The phase-retrieval problem is characterized as image-based in the sense that a charge-coupled-device camera, preferably of scientific imaging quality, is used to collect image data where the optical system would normally form an image. In a variant of phase retrieval, denoted phase-diverse phase retrieval [which can include focus-diverse phase retrieval (in which various defocus planes are used)], an additional known aberration (or an equivalent diversity function) is superimposed as an aid in estimating unknown aberrations by use of an image-based wavefront-sensing algorithm. Image-based phase-retrieval differs from such other wavefront-sensing methods, such as interferometry, shearing interferometry, curvature wavefront sensing, and Shack-Hartmann sensing, all of which entail disadvantages in comparison with image-based methods. The main disadvantages of these non-image based methods are complexity of test equipment and the need for a wavefront reference.

Dean, Bruce H.↗
DOE OSTI2019

Development of an accelerator-based diagnostic for plasma-facing surfaces in magnetic confinement devices

The focus of this work was the development of the Accelerator-based In-situ Material Surveillance (AIMS) diagnostic. The understanding of plasma-material interaction processes in fusion devices has been greatly hampered by the lack of ability to measure the surface ~micron layers of solid surfaces that are in contact with and greatly modified by the boundary fusion plasma. AIMS was the first diagnostic developed and deployed that allowed non-destructive surface measurements with adequate spatial and time resolution. The deployment was primarily carried out on the Alcator C-Mod tokamak. AIMS diagnostic goal is to remotely generate isotopic concentration maps on a plasma shot-to-shot timescale that cover a large fraction of the plasma-facing surface inside of a magnetic fusion device without the need for vacuum breaks or physical access to the material surfaces. The diagnostic used a compact (~ 1 m), high-current (~ 1 milliamp) radio-frequency quadrupole accelerator to inject 0.9 MeV deuterons into the Alcator C-Mod tokamak. The tokamak magnetic fields were controlled – in between plasma shots – to steer the deuterons to material surfaces where the deuterons cause high-Q nuclear reactions with low-Z isotopes up to 5 microns into the material. The induced neutrons and gamma rays are measured with scintillation detectors; energy spectra analysis provides quantitative reconstruction of surface compositions. Experimental validation showed that low-Z isotopes such as deuterium and boron can be quantified on the material surfaces, and that magnetic steering provides access to different measurement locations. AIMS measurements of D retention on inner wall PFCs were acquired during diverted and limited plasma operations and during wall conditioning experiments om Alcator C-Mod. Intershot measurements demonstrate the local erosion and co-deposition of boron films on PFC surfaces with a constant D-B ratio. This is consistent with previous results suggesting that D co-=deposition with boron is insufficient to account for the net retention observed in Alcator C-Mod. Changes in deuterium concentration during boronization, electron cyclotron and glow cleanings were also measured. These initial results were limited to studying low-Z surface properties, because the Coulomb barrier precludes nuclear reactions between high-Z elements and the ~1 MeV AIMS deuteron beam. In order to measure the high-Z erosion of interest in Alcator C-Mod and future fusion devices, a new technique using deuteron-induced gamma emission and a low-Z depth marker was developed using implanted depth markers as a method of measuring bulk erosion and redeposition. This method is dubbed DEA: Depth marker Erosion with AIMS. DEA simulations and experiments were used to validate this technique, both in the laboratory and via experiments in the EAST tokamak. Based on these results, the DEA technique, using ion beam implanted depth markers as a reference to the surface in order to monitor surfaces for erosion and redeposition, is a viable option as a diagnostic, both in and ex situ. These markers show stability to temperature, the tokamak environment, and multiple probing beams. The ex-situ (eDEA) method, which uses resonances in the cross sections of gamma producing reactions to track the surface, was used to successfully measure erosion in samples that were exposed in the EAST tokamak. The in-situ (iDEA) method, which uses the gamma yield ratio to monitor changes to the surface, was used to differentiate between markers implanted to different depths. Both techniques were successfully simulated, and both presented unique challenges experimentally and in data analysis. In particular, the eDEA probing beam was found to have energy variations leading to initial experimental uncertainty, and the iDEA gamma spectra had conflicting gamma peaks which make data analysis difficult. However, the end result is a promising framework for a diagnostic technique that supplements the abilities of AIMS and expands the possibilities of surface diagnostics in fusion devices. While the results of this work are overwhelmingly encouraging for further development of AIMS in general, and the DEA technique specifically, several areas require significant development before this diagnostic is as robust and widely applicable as a surface diagnostic ought to be. Recommended future work includes the development of a cross section/yield measurement database, erosion tests with secondary verification of results using a fiducial mark from a focused ion beam, and acquiring a new accelerator with a more reliable high energy proton and deuterium beam The project resulted in 14 publications, including the PhD theses of three MIT graduate students, cited in the included bibliography.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Developing the hybrid scenario in DIII-D and KSTAR for W-compatible long-pulse operation

Long-pulse, high-performance operation with tungsten plasma-facing components is a crucial challenge for achieving steady-state (SS) goals in ITER and future fusion devices. This paper presents a joint international effort between the DIII-D and KSTAR tokamaks aimed at demonstrating the compatibility of the high q 95 ~ 6 hybrid scenario with a tungsten divertor and superconducting coils. A DIII-D hybrid scenario recipe is successfully tailored to KSTAR’s operational constraints, which facilitates cross-device studies. The results show successful 30 s long-pulse operation in KSTAR at a normalized beta (β N = 2.4) with a benign m/n = 4/3 mode and effective mitigation of tungsten accumulation. Despite this success, the KSTAR scenario exhibits a greater than 25% reduction in thermal confinement compared to the DIII-D reference. To investigate this discrepancy, we performed a predictive TGYRO validation study, which suggests that the difference is likely caused by a weaker temperature pedestal in the KSTAR discharge due to a higher and narrower density pedestal. In addition, such lower thermal confinement leads to higher impurity accumulation, possibly due to a change in neoclassical transport with increased inward pinch, which further degrades global confinement. We also report that stationary, long-pulse operation with sustained thermal confinement requires consistent fueling and wall conditioning. These findings highlight the importance of optimized fueling and real-time wall conditioning in achieving a high temperature pedestal and strong global confinement during stable long-pulse operation. We propose potential approaches toward fully SS, long-pulse operation, including real-time wall conditioning using an impurity dropper in KSTAR and future tokamaks.

DIII-D↗
DOE OSTI2019

Physical and Chemical Sensing With Electronic Skin

This paper reviews current progress on flexible and stretchable transistors and sensors for the next-generation multiplex electronics (commonly referred to as 'electronics skin' or 'e-skin') that is capable of simultaneous detection of multiple information from a variety of surfaces including human skin. Flexible chemical sensors for sweat analysis as well as physical sensors for detecting tactile force, bending, and temperature will be discussed, with emphasis on materials, detection mechanisms, and device demonstration to realize multiplex human-interactive devices. System integration enabling the real-time monitoring of health conditions is also demonstrated as a proof of concept. Finally, perspectives on e-skin for moving toward realizing practical wearable electronics in the market are discussed. This paper targets the translation of the nano- and flexible technologies from academic innovations to industrial practical applications with high-impact breakthroughs.

42 ENGINEERING↗
NASA NTRS1988

High speed fiber optics local area networks: Design and implementation

The design of high speed local area networks (HSLAN) for communication among distributed devices requires solving problems in three areas: (1) the network medium and its topology; (2) the medium access control; and (3) the network interface. Considerable progress has been made in all areas. Accomplishments are divided into two groups according to their theoretical or experimental nature. A brief summary is given in Section 2, including references to papers which appeared in the literature, as well as to Ph.D. dissertations and technical reports published at Stanford University.

Tobagi, Fouad A.↗
NASA NTRS2011

A Review of Lunar Regolith Excavation Robotic Device Prototypes

The excavation of lunar regolith is desirable for use as a feedstock for oxygen production processes as well as civil engineering purposes and for the fabrication of parts and structures. This is known as In-Situ Resource Utilization (ISRU). More recently, there has been mounting evidence that water ice exists at the poles of the Moon, buried in the regolith where thermally stable conditions exist. This means that regolith excavation will be required to mine the water ice which is believed to be. mixed in with the regolith, or bonded to it. The mined water ice can then be electrolyzed to produce hydrogen and oxygen propellants which could form the basis of a cis-lunar transportation system using in-situ derived propellants. In 2007, the National Aeronautics & Space Administration (NASA) sponsored a Lunar Regolith Excavation Competition as part of its Centennial Challenges program, The competition was not won and it was held again in 2008 and 2009, when it was won by a university team. A $500,000 prize was awarded to the winning team by NASA. In 2010, NASA continued the competition as a spinoff of the Centennial Challenges, which is restricted to university participation only. This competition is known as the "Lunabotics Mining Competition" and is hosted by NASA at Kennedy Space Center. Twenty three American university teams competed in the 2010 Lunabotics Mining Competition. The competition was held again in May 2011 with over 60 teams registered, including international participation. The competition will be held again in May 2012 at Kennedy Space Center in Florida. . This paper contains a thorough review of the various regolith eX,cavation robotic device prototypes that competed in these NASA competitions, and will. classify the machines and their methods of excavation to document the variety of ideas that were spawned and built to compete at these events. It is hoped that documentation of these robots will serve to help future robotic excavation designers and provide a historical reference for future lunar mining machine endeavors.

Mueller, Robert P.↗
NASA NTRS2004

Development of Biomorphic Flyers

Biomorphic flyers have recently been demonstrated that utilize the approach described earlier in "Bio-Inspired Engineering of Exploration Systems" (NPO-21142), NASA Tech Briefs, Vol. 27, No. 5 (May 2003), page 54, to distill the principles found in successful, nature-tested mechanisms of flight control. Two types of flyers are being built, corresponding to the imaging and shepherding flyers for a biomorphic mission described earlier in "Cooperative Lander- Surface/Aerial Microflyer Missions for Mars Exploration" (NPO-30286), NASA Tech Briefs, Vol. 28, No. 5 (May 2004), page 36. The common features of these two types of flyers are that both are delta-wing airplanes incorporating bio-inspired capabilities of control, navigation, and visual search for exploration. The delta-wing design is robust to approx.40 G axial load and offers ease of stowing and packaging. The prototype that we have built recently is shown in the figure. Such levels of miniaturization and autonomous navigation are essential to enable biomorphic microflyers (<1 kg) that can be deployed in large numbers for distributed measurements and exploration of difficult terrain while avoiding hazards. Individual bio-inspired sensors that will be incorporated in a biomorphic flyer have been demonstrated recently. These sensors include a robust, lightweight (~6 g), and low-power (~40 mW) horizon sensor for flight stabilization. It integrates successfully the principles of the dragonfly ocelli. The ocelli are small eyes on the dorsal and forward regions of the heads of many insects. The ocelli are distinct from the compound eyes that are most commonly associated with insect vision. In many insects, the ocelli are little more than single-point detectors of short-wavelength light and behavioral responses to ocelli stimuli are hard to observe. The notable exception is found in dragonflies, where flight control is notably degraded by any interference with the ocellar system. Our team has discovered recently that the ocelli are a dedicated horizon sensor, with substantial optical processing and multiple spectral sensitivity. To our knowledge, this is the world s first demonstrated use of a "biomorphic ocellus" as a flight-stabilization system. The advantage of the ocelli over a similarly sized system of rate gyroscopes is that both attitude control and rate damping can be realized in one device. A full inertial unit and significant processing would otherwise be required to achieve the same effect. As a prelude to full autonomy, substantial stability augmentation is provided to the pilot at very low cost in terms of space, power, and mass. The sensor is about 40 times lighter than a comparable inertial attitude reference system. Other significant features of the biomorphic flyer shown in the figure include its ability to fly at high angles of attack ~30 and a deep wing chord which allows scaling to small size and low Reynold s number situations. Furthermore, the placement of the propulsion system near the center of gravity allows continued control authority at low speeds. These attributes make such biomorphic flyers uniquely suited to planetary and terrestrial exploration where small size and autonomous airborne operation are required.

Thakoor, Sarita↗
NASA NTRS1974

Autonomous orbital navigation using Kepler's equation

A simple method of determining the six elements of elliptic satellite orbits has been developed for use aboard manned and unmanned spacecraft orbiting the earth, moon, or any planet. The system requires the use of a horizon sensor or other device for determining the local vertical, a precision clock or timing device, and Apollo-type navigation equipment including an inertial measurement unit (IMU), a digital computer, and a coupling data unit. The three elements defining the in-plane motion are obtained from simultaneous measurements of central angle traversed around the planet and elapsed flight time using a linearization of Kepler's equation about a reference orbit. It is shown how Kalman filter theory may also be used to determine the in-plane orbital elements. The three elements defining the orbit orientation are obtained from position angles in celestial coordinates derived from the IMU with the spacecraft vertically oriented after alignment of the IMU to a known inertial coordinate frame.

Boltz, F. W.↗
NASA NTRS1992

Momentum distribution in debris cloud during hypervelocity impact

The long term operation of the Space Station Freedom requires a scheme to protect it from high velocity impacts by both man-made particles and micrometeor fragments. One such scheme is the use of metal plates to serve as shields against such orbital debris. These 'bumper' plates, as they are referred to, serve to break up any incident particle and redistribute its momentum over a larger area. It is therefore necessary to determine the momentum distribution within the debris cloud produced by such collisions in order to evaluate a materials effectiveness at accomplishing this task. This paper details the design and development of an innovative device which has made this possible. Momentum profiles were obtained for a series of test conditions. Total momentum values in the debris cloud were then calculated from these profiles. These results indicated that a momentum amplification exists with a multiplication factor of between 2 and 3. Thus the role of the bumper to serve as a means for momentum redistribution and not reduction was verified.

Lemaster, P.↗
NASA NTRS2005

Reconfigurable Processing Module

To accommodate a wide spectrum of applications and technologies, NASA s Exploration System's Missions Directorate has called for reconfigurable and modular technologies to support future missions to the moon and Mars. In response, Langley Research Center is leading a program entitled Reconfigurable Scaleable Computing (RSC) that is centered on the development of FPGA-based computing resources in a stackable form factor. This paper details the architecture and implementation of the Reconfigurable Processing Module (RPM), which is the key element of the RSC system. The RPM is an FPGA-based, space-qualified printed circuit assembly leveraging terrestrial/commercial design standards into the space applications domain. The form factor is similar to, and backwards compatible with, the PCI-104 standard utilizing only the PCI interface. The size is expanded to accommodate the required functionality while still better than 30% smaller than a 3U CompactPCI(TradeMark)card and without the overhead of the backplane. The architecture is built around two FPGA devices, one hosting PCI and memory interfaces, and another hosting mission application resources; both of which are connected with a high-speed data bus. The PCI interface FPGA provides access via the PCI bus to onboard SDRAM, flash PROM, and the application resources; both configuration management as well as runtime interaction. The reconfigurable FPGA, referred to as the Application FPGA - or simply "the application" - is a radiation-tolerant Xilinx Virtex-4 FX60 hosting custom application specific logic or soft microprocessor IP. The RPM implements various SEE mitigation techniques including TMR, EDAC, and configuration scrubbing of the reconfigurable FPGA. Prototype hardware and formal modeling techniques are used to explore the performability trade space. These models provide a novel way to calculate quality-of-service performance measures while simultaneously considering fault-related behavior due to SEE soft errors.

Somervill, Kevin↗
NASA NTRS2012

Photogrammetry Tool for Forensic Analysis

A system allows crime scene and accident scene investigators the ability to acquire visual scene data using cameras for processing at a later time. This system uses a COTS digital camera, a photogrammetry calibration cube, and 3D photogrammetry processing software. In a previous instrument developed by NASA, the laser scaling device made use of parallel laser beams to provide a photogrammetry solution in 2D. This device and associated software work well under certain conditions. In order to make use of a full 3D photogrammetry system, a different approach was needed. When using multiple cubes, whose locations relative to each other are unknown, a procedure that would merge the data from each cube would be as follows: 1. One marks a reference point on cube 1, then marks points on cube 2 as unknowns. This locates cube 2 in cube 1 s coordinate system. 2. One marks reference points on cube 2, then marks points on cube 1 as unknowns. This locates cube 1 in cube 2 s coordinate system. 3. This procedure is continued for all combinations of cubes. 4. The coordinate of all of the found coordinate systems is then merged into a single global coordinate system. In order to achieve maximum accuracy, measurements are done in one of two ways, depending on scale: when measuring the size of objects, the coordinate system corresponding to the nearest cube is used, or when measuring the location of objects relative to a global coordinate system, a merged coordinate system is used. Presently, traffic accident analysis is time-consuming and not very accurate. Using cubes with differential GPS would give absolute positions of cubes in the accident area, so that individual cubes would provide local photogrammetry calibration to objects near a cube.

Lane, John↗
NASA NTRSDate not supplied

In-Lab Rapid Analytical Detection of Lunar Volatiles By Universal Gas Analyzer With Comparison to GC-MS System

Introduction: The curation of permanently shadowed regions (PSRs) [1] on the lunar surface is centered around studies based upon the observed volatiles from the LCROSS mission [2]. The rapid detection of important volatile gases and vapors present in planetary bodies and Astromaterials by a standalone analytical device is an area of intense research interest in our group and Planetary Exploration & Astromaterials Research Laboratory (PEARL) facility and this work is relevant to the future preparation of viable lunar simulants for testing curation efforts down the road. The groundbreaking results obtained from the LCROSS Mission [2] open the requirements for the direct detection of volatiles present in regolith materials collected from the lunar surface. The mass spectrometry of volatile chemicals is a general technique that utilizes a set of instruments that creates charged ions from a gaseous chemical species and measures the intensities vs. mass-to-charge ratio (m/z) [3]. In this context, we discuss in-lab experimental results and procedures for rapid qualitative analysis of main LCROSS volatiles (water, H2S, NH3, CO2, and CH3OH) by a Universal Gas Analyzer (UGA) instrument. Additionally, the instrument performance was evaluated by measuring the isotopic abundance ratio of atmospheric Ar-40 to Ar-36 present in room air since, argon is a relevant gas in planetary studies as it can provide an insight and reference point to isotope studies [4]. Additional, cross comparisons were attempted and made between the two instruments to develop a robust analytical technique by comparing mass spectral data for H2S headspace samples with a Trace-1310/ ISQ 7000 (ThermoFisher Scientific.) GC-MS system. Background: The benchtop UGA System is equipped with an SRS UGA 300 quadrupole mass spectrometer designed and built by Stanford Research Systems [5]. This system can be configured for several types of gaseous chemical analysis. The inlet line continuously samples gases at low flow rates (several milliliters per minute) through a capillary limiting the intake pressure making the instrument ideal for online analysis of select gases and/or room atmosphere. Moreover, in our current UGA system, a change in composition at the inlet can be detected in about 200 milliseconds and a complete spectrum is acquired (for a range of 1-100 amu) in under 45 sec with masses measured at rates up to 25 msec per point [5]. This system provides a quick upstream analytical data that we can then compare to results obtained by our GC-MS system. Sample Preparation: Small volume (2-4 mL) of analyte sample was taken in a 10 mL glass vial and sealed with a crimped cap and purged with pure Ar or N2 gas to displace air from the top. The headspace sample was scanned by the UGA instrument at analog, histogram, and pressure vs. time modes. The isotopic abundance ratio for 40Ar-to-36Ar was estimated by measuring partial pressure vs. time scans and setting the mass at 40 and 36 respectively. Results and Discussions: In this work, we have investigated the applicability of the UGA system by qualitative analysis of a series of LCROSS volatiles measured individually. Fig. 1 demonstrates a set of vertically offset spectra for the partial pressures measured as a function of mass-to-charge (m/z) ratios. The average acquisition time for each spectrum was less than a minute suggesting that the UGA system is ideal for quick analysis of geochemical volatiles. For the cross-comparison, we analyzed an H2S headspace sample by a Trace-1310/ISQ-7000 system and compared mass spectral data with previously measured UGA histogram scan data (Fig. 2). In both cases, major peak positions are the same, however, the intensities of fragment ions ([1H132S]+ and [32S]+) are higher for UGA suggesting that the fragment ionization process is stronger in UGA compared to that of GC-MS. To investigate how the integrated area under each chromatogram varies with the headspace sample volume, a set of five H2S headspace samples with increasing volumes was analyzed by the GC-MS system (Fig. 3, inset). A small volume (e.g., 200 to 1000 µL) of H2S/H2O vapor was withdrawn from a 20 mL stock sample vial containing ~5 mL of 0.4% H2S in water by a gas-tight syringe and added to another 20 mL vial filled with argon and analyzed by the GC-MS system. Finally, the UGA detector sensitivity was evaluated by calculating the atmospheric 40Ar-to-36Ar isotopic abundance ratio in room air by running a partial pressure vs. time scan with setting the atomic mass at 40, and 36. Fig. 4(a) shows a ~25 min duration “P vs. time” scan for 40Ar (plot for 36Ar is not shown). The partial pressure values (~100 points) were corrected by subtracting the corresponding background pressure value for 37Ar and utilized to calculate 40Ar-to-36Ar isotopic abundance ratios as shown by Fig. 4b. The average isotopic abundance ratio is ~306 with a 2*STDEV ~13. This abundance ratio is significantly close to the previously reported value of 298.56 [6] and the ratio obtained by our GC-MS system (303 for a UHP grade Ar sample). Conclusions: Our study strongly evidenced that the benchtop UGA system is a valuable analytical tool for the detection of major LCROSS volatiles. The rapid scanning capability, the inexpensiveness of the whole system, and impressive detection sensitivity prove its worthiness as an essential device for advanced geochemical applications. Moreover, cross comparisons with the GC-MS provide important bridges into advanced curatorial efforts into the future. References: [1] Bickel, V.T., et al. (2021) Nat Commun 12, 5607. [2] Colaprete, A., et al. (2010) Science, 330, 463-468. [3] Glavin, D. P. et al. (2012) 2012 IEEE Aerospace Conference, 1-11. [4] Willett, C. D., et al. (2022) Geochimica et Cosmochimica Acta 329, 119-134. [5] Operation Manual and Programming Reference. (2018) Universal gas Analyzers, Stanford Research Systems. [6] Lee, J. Y., et al. (2006) Geochimica et Cosmochimica Acta 70, 4507–4512. Notes: (4 figures are attached with text as shown by the attached file)

Curation↗
DOE OSTI2025

Significant Efficiency Enhancements in Non‐Y Series Acceptors by the Addition of Outer Side Chains

Abstract Most current highly efficient organic solar cells utilize small molecules like Y6 and its derivatives as electron acceptors in the photoactive layer. In this work, a small molecule acceptor, SC8‐IT4F, is developed through outer side chain engineering on the terminal thiophene of a conjugated 6,12‐dihydro‐dithienoindeno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (IDTT) central core. Compared to the reference molecule C8‐IT4F, which lacks outer side chains, SC8‐IT4F displays notable differences in molecule geometry (as shown by simulations), thermal behavior, single‐crystal packing, and film morphology. Blend films of SC8‐IT4F and the polymer donor PM6 exhibit larger carrier mobilities, longer carrier lifetimes, and reduced recombination compared to C8‐IT4F, resulting in improved device performance. Binary photovoltaic devices based on the PM6:SC8‐IT4F films reveal an optimal efficiency over 15%, which is one of the best values for non‐Y type small molecule acceptors (SMAs). The resultant devices also show better thermal and operational stability than the control PM6:L8‐BO devices. SC8‐IT4F and its blend exhibit a higher relative degree of crystallinity and π coherence length, compared to C8‐IT4F samples, beneficial for charge transport and device performance. The results indicate that outer side chain engineering on existing small electron acceptors can be a promising molecular design strategy for further pursuing high‐performance organic solar cells.

He, Qiao [Department of Chemistry and Centre for P↗