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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 OSTI2024

Production of High Specific Activity 155 Tb, 161 Tb and 203 Pb for Research and Clinical Applications: Effective Target Design, Target Material Recycling and Radioisotope Separation (Final Technical Report)

The overall objectives of this project were (1) to develop methods for the production and separation of a diagnostic and therapeutic or “theranostic” pair of radioisotopes, terbium-155 ( 155 Tb) and terbium-161 ( 161 Tb) and (2) to train graduate students and postdoctoral fellows in technologies and methods used in radionuclide production. Radionuclides can be incorporated into drugs called radiopharmaceuticals that target a specific disease (e.g., cancer). The need for theranostic radionuclides is escalating with the clinical translation of radiopharmaceuticals due to their implementation in personalized medicine, which has demonstrated enhanced patient treatments. High purity and high specific activity radionuclides are critical for theranostic agent development, for example to maintain diagnostic image quality, to minimize radiation dose to the patient, and to increase uptake in the targeted tissue (e.g., tumor), especially in the case of receptor- and antigen-targeted agents. The 155 Tb (diagnostic) and 161 Tb (therapeutic) radioisotopes that were generated through this project are a theranostic pair with demonstrated potential for the development and translation into individualized, targeted, and dosimetry-driven radiotherapies. However, the development of such radiotherapies has been hindered by the lack of a routine and reliable supply of these isotopes in the United States. Methods for the production, separation, and supply of 155 Tb and 161 Tb were investigated and developed in this project. Further, the strong emphasis throughout the project on the training of graduate students and postdoctoral fellows has helped to ensure and enhance the nuclear science workforce through the training of the next generation of highly qualified scientists in nuclear and radiochemistry. This grant also continued a collaboration between scientists at the University of Washington (UW), the University of Missouri (MU) and Brookhaven National Laboratory (BNL). All three institutions were involved in the project, but to different degrees on the various tasks through which the overall objectives were met.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Plateau de Bure High-z Blue Sequence Survey 2 (PHIBSS2): Search for Secondary Sources, CO Luminosity Functions in the Field, and the Evolution of Molecular Gas Density through Cosmic Time

We report on the results of a search for serendipitous sources in CO emission in 110 cubes targeting CO(2 − 1), CO(3 − 2), and CO(6 − 5) at z ∼ 1–2 from the second Plateau de Bure High-z Blue Sequence Survey (PHIBSS2). The PHIBSS2 observations were part of a 4 yr legacy program at the IRAM Plateau de Bure Interferometer aimed at studying early galaxy evolution from the perspective of molecular gas reservoirs. We present a catalog of 67 candidate secondary sources from this search, with 45 of the 110 data cubes showing sources in addition to the primary target that appear to be field detections, unrelated to the central sources. This catalog includes redshifts, line widths, and fluxes, as well as an estimation of their reliability based on their false-positive probability. We perform a search in the 3D Hubble Space Telescope/CANDELS catalogs for the secondary CO detections and tentatively find that ∼64% of these have optical counterparts, which we use to constrain their redshifts. Finally, we use our catalog of candidate CO detections to derive the CO(2 − 1), CO(3 − 2), CO(4 − 3), CO(5 − 4), and CO(6 − 5) luminosity functions over a range of redshifts, as well as the molecular gas mass density evolution. Despite the different methodology, these results are in very good agreement with previous observational constraints derived from blind searches in deep fields. They provide an example of the type of “deep-field” science that can be carried out with targeted observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Protecting and Defending against Autonomous Control Systems and Digital Twin Cyber Attacks: Response Strategy for Hyperparameter attacks of Digital Twin Machine Learning Models in Nuclear Power Plants (Final)

Navigating through the complex tapestry of technological advancements, "Response Strategy for Hyperparameter attacks of Digital Twin Machine Learning Model in Nuclear Power Plants" stands at the intersection of cybersecurity and nuclear power plant operations, embarking on a journey through the intricacies of securing digital twins against malicious cyber activities. As nuclear power plants progressively integrate digital twin technology and machine learning models to optimize operations and ensure system reliability, they inadvertently expose themselves to a new spectrum of vulnerabilities, notably in the realm of hyperparameter attacks. Hyperparameters, integral in machine learning model tuning and optimal performance of digital twins, have emerged as a target for adversaries aiming to destabilize the predictive capabilities and therefore, the operational accuracy of these digital entities within critical infrastructures like nuclear plants. This paper, therefore, meticulously threads the needle through the development of a robust response strategy, poised to shield these digital reflections against calculated hyperparameter manipulations, ensuring that the digital twin can effectively and securely function as a reliable proxy for its physical counterpart. The ensuing sections delve into the orchestrated maelstrom of multi-rate time-changing intelligent coordinated hyperparameter attacks and the implementation of event-triggered predictive control, laying down a structured, predictive, and responsive framework that safeguards the nexus where the digital and physical realms of nuclear power plants coalesce. The operational integrity of digital twins in nuclear power plants depends critically on the security of machine learning hyperparameters. This study makes two different contributions. First, a decision-based idea known as a multi-rate time changing intelligent coordinated hyperparameter attack is put forth. In this attack, many hyperparameters are repeatedly changed using both random and intelligent optimal techniques by the attacker. These assaults introduce varied rates at different attack steps, compromise various amounts of hyperparameters, and improve stealth and flexibility. Second, a technique is developed for event triggered predictive control to rapidly respond to potential hyperparameter attacks. This control integrates a sliding window framework, retaining a history of previous data points and employing linear regression to predict the next data point from the current dataset. The control gain K is determined using the Lyapunov-Krasovskii method, and subsequently, an action is developed. Finally, the outcome of the simulation demonstrates the viability of the proposed method for defending nuclear power plant digital twins from hyperparameter attacks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2008

Range Imaging without Moving Parts

Range-imaging instruments of a type now under development are intended to generate the equivalent of three-dimensional images from measurements of the round-trip times of flight of laser pulses along known directions. These instruments could also provide information on characteristics of targets, including roughnesses and reflectivities of surfaces and optical densities of such semi-solid objects as trees and clouds. Unlike in prior range-imaging instruments based on times of flight along known directions, there would be no moving parts; aiming of the laser beams along the known directions would not be accomplished by mechanical scanning of mirrors, prisms, or other optical components. Instead, aiming would be accomplished by using solid-state devices to switch input and output beams along different fiber-optic paths. Because of the lack of moving parts, these instruments could be extraordinarily reliable, rugged, and long-lasting. An instrument of this type would include an optical transmitter that would send out a laser pulse along a chosen direction to a target. An optical receiver coaligned with the transmitter would measure the temporally varying intensity of laser light reflected from the target to determine the distance and surface characteristics of the target. The transmitter would be a combination of devices for generating precise directional laser illumination. It would include a pulsed laser, the output of which would be coupled into a fiber-optic cable with a fan-out and solid-state optical switches that would enable switching of the laser beam onto one or more optical fibers terminated at known locations in an array on a face at the focal plane of a telescope. The array would be imaged by the telescope onto the target space. The receiver optical system could share the aforementioned telescope with the transmitter or could include a separate telescope aimed in the same direction as that of the transmitting telescope. In either case, light reflected from the target would be focused by the receiver optical system onto an array of optical fibers matching the array in the transmitter. These optical fibers would couple the received light to one or more photodetector( s). Optionally, the receiver could include solid-state optical switches for choosing which optical fiber(s) would couple light to the photodetector(s). This instrument architecture is flexible and can be optimized for a wide variety of applications and levels of performance. For example, it is scalable to any number of pixels and pixel resolutions and is compatible with a variety of ranging and photodetection methodologies, including, for example, ranging by use of modulated (including pulsed and encoded) light signals. The use of fixed arrays of optical fibers to generate controlled illumination patterns would eliminate the mechanical complexity and much of the bulk of optomechanical scanning assemblies. Furthermore, digital control of the selection of the fiber-optic pathways for the transmitted beams could afford capabilities not seen in previous three-dimensional range-imaging systems. Instruments of this type could be specialized for use as, for example, proximity detectors, three-dimensional robotic vision systems, airborne terrain-mapping systems, and inspection systems.

Blair, J. Bryan↗
DOE OSTI2022

Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols

The accurate and reliable prediction of protein–ligand binding affinities can play a central role in the drug discovery process as well as in personalized medicine. Of considerable importance during lead optimization are the alchemical free energy methods that furnish an estimation of relative binding free energies (RBFE) of similar molecules. Recent advances in these methods have increased their speed, accuracy, and precision. This is evident from the increasing number of retrospective as well as prospective studies employing them. However, such methods still have limited applicability in real-world scenarios due to a number of important yet unresolved issues. Here, we report the findings from a large data set comprising over 500 ligand transformations spanning over 300 ligands binding to a diverse set of 14 different protein targets which furnish statistically robust results on the accuracy, precision, and reproducibility of RBFE calculations. We use ensemble-based methods which are the only way to provide reliable uncertainty quantification given that the underlying molecular dynamics is chaotic. These are implemented using TIES (Thermodynamic Integration with Enhanced Sampling). Results achieve chemical accuracy in all cases. Ensemble simulations also furnish information on the statistical distributions of the free energy calculations which exhibit non-normal behavior. We find that the “enhanced sampling” method known as replica exchange with solute tempering degrades RBFE predictions. We also report definitively on numerous associated alchemical factors including the choice of ligand charge method, flexibility in ligand structure, and the size of the alchemical region including the number of atoms involved in transforming one ligand into another. Our findings provide a key set of recommendations that should be adopted for the reliable application of RBFE methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Enhanced Multi-Dimensional Inversion Through Target-Specific Inversion Parameter Bounds With an Application to Crosswell Electromagnetic for Sequestration Monitoring

In geophysical inversions, lower and upper model parameter bounds are a means of solution stabilization. Further, constraints that intend to let only geologically plausible inverse solutions pass are amenable to lower and upper bounds. Reliable prior information is paramount to construct such bound constraints. It is common practice to narrow and widen bound intervals for regions of, respectively, more and less certain prior information. Contrary to this practice, we experiment with widened bound intervals in zones that are poorly resolved by a given survey configuration but where prior information would suggest structural anomalies of interest. The purpose of enlarged parameter bounds that correlate spatially with predefined targets is to let the inversion explore a larger solution space, thus increasing the potential to resolve otherwise hidden anomalies. Application of the method is based on a carbon-sequestration baseline (pre-injection) crosswell electromagnetic (EM) field survey at the Containment and Monitoring Institute Field Research Station (Alberta, Canada), where impeded measurements led to generally reduced sensitivities for the interwell region. Synthetic-data proofs of concept use augmented bounds designed to boost the resolution of artificial plume targets, indicating an enhanced illumination compared to constant bounds. Comparative field data inversions with spatially variable bounds constructed from prior resistivity and velocity information highlight non-horizontal baseline structures.

3-D electrical resistivity imaging↗
DOE OSTI2021

Proton beam quality enhancement by spectral phase control of a PW-class laser system

We report on experimental investigations of proton acceleration from solid foils irradiated with PW-class laser-pulses, where highest proton cut-off energies were achieved for temporal pulse parameters that varied significantly from those of an ideally Fourier transform limited (FTL) pulse. Controlled spectral phase modulation of the driver laser by means of an acousto-optic programmable dispersive filter enabled us to manipulate the temporal shape of the last picoseconds around the main pulse and to study the effect on proton acceleration from thin foil targets. The results show that applying positive third order dispersion values to short pulses is favourable for proton acceleration and can lead to maximum energies of 70 MeV in target normal direction at 18 J laser energy for thin plastic foils, significantly enhancing the maximum energy compared to ideally compressed FTL pulses. The paper further proves the robustness and applicability of this enhancement effect for the use of different target materials and thicknesses as well as laser energy and temporal intensity contrast settings. We demonstrate that application relevant proton beam quality was reliably achieved over many months of operation with appropriate control of spectral phase and temporal contrast conditions using a state-of-the-art high-repetition rate PW laser system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Advances in 211 At production at Texas A&M University

Alpha emitting radionuclides with medically relevant half-lives are interesting for treatment of tumors and other diseases because they deposit large amounts of energy close to the location of the radioisotope. Researchers at the Cyclotron Institute at Texas A&M University are developing a program to produce 211 At, an alpha emitter with a medically relevant half-life. Here, the properties of 211 At make it a great candidate for targeted alpha therapy for cancer due to its short half-life (7.2 h). Astatine-211 has now been produced multiple times and reliability of this process is being improved.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2003

Reliable Transport over SpaceWire for James Webb Space Telescope (JWST) Focal Plane Electronics (FPE) Network

NASA's James Webb Space Telescope (JWST) faces difficult technical and budgetary challenges to overcome before it is scheduled launch in 2010. The Integrated Science Instrument Module (ISIM), shares these challenges. The major challenge addressed in this paper is the data network used to collect, process, compresses and store Infrared data. A total of 114 Mbps of raw information must be collected from 19 sources and delivered to the two redundant data processing units across a twenty meter deployed thermally restricted interface. Further data must be transferred to the solid-state recorder and the spacecraft. The JWST detectors are kept at cryogenic temperatures to obtain the sensitivity necessary to measure faint energy sources. The Focal Plane Electronics (FPE) that sample the detector, generate packets from the samples, and transmit these packets to the processing electronics must dissipate little power in order to help keep the detectors at these cold temperatures. Separating the low powered front-end electronics from the higher-powered processing electronics, and using a simple high-speed protocol to transmit the detector data minimize the power dissipation near the detectors. Low Voltage Differential Signaling (LVDS) drivers were considered an obvious choice for physical layer because of their high speed and low power. The mechanical restriction on the number cables across the thermal interface force the Image packets to be concentrated upon two high-speed links. These links connect the many image packet sources, Focal Plane Electronics (FPE), located near the cryogenic detectors to the processing electronics on the spacecraft structure. From 12 to 10,000 seconds of raw data are processed to make up an image, various algorithms integrate the pixel data Loss of commands to configure the detectors as well as the loss of science data itself may cause inefficiency in the use of the telescope that are unacceptable given the high cost of the observatory. This combination of requirements necessitates a redundant, fault tolerant, high- speed, low mass, low power network with a low Bit error Rate(1E-9- 1E-12). The ISIM systems team performed many studies of the various network architectures that meeting these requirements. The architecture selected uses the Spacewire protocol, with the addition of a new transport and network layer added to implement end-to-end reliable transport. The network and reliable transport mechanism must be implemented in hardware because of the high average information rate and the restriction on the ability of the detectors to buffer data due to power and size restrictions. This network and transport mechanism was designed to be compatible with existing Spacewire links and routers so that existing equipment and designs may be leveraged upon. The transport layer specification is being coordinated with European Space Agency (ESA), Spacewire Working Group and the Consultative Committee for Space Data System (CCSDS) PlK Standard Onboard Interface (SOIF) panel, with the intent of developing a standard for reliable transport for Spacewire. Changes to the protocol presented are likely since negotiations are ongoing with these groups. A block of RTL VHDL that implements a multi-port Spacewire router with an external user interface will be developed and integrated with an existing Spacewire Link design. The external user interface will be the local interface that sources and sinks packets onto and off of the network (Figure 3). The external user interface implements the network and transport layer and handles acknowledgements and re-tries of packets for reliable transport over the network. Because the design is written in RTL, it may be ported to any technology but will initially be targeted to the new Actel Accelerator series (AX) part. Each link will run at 160 Mbps and the power will be about 0.165 Watt per link worst case in the Actel AX.

Rakow, Glenn↗
NASA NTRS2003

NASA/BAE SYSTEMS SpaceWire Effort

This paper discusses the state of the NASA and BAE SYSTEMS developments of SpaceWire. NASA has developed intellectual property that implements SpaceWire in Register Transfer Level (RTL) VHDL for a SpaceWire link and router. This design has been extensively verified using directed tests from the SpaceWire Standard and design specification, as well as being randomly tested to flush out hard to find bugs in the code. The high level features of the design will be discussed, including the support for multiple time code masters, which will be useful for the James Webb Space Telescope electrical architecture. This design is now ready to be targeted to FPGA's and ASICs. Target utilization and performance information will be presented for Spaceflight worthy FPGA's and a discussion of the ASIC implementations will be addressed. In particular, the BAE SYSTEMS ASIC will be highlighted which will be implemented on their .25micron rad-hard line. The chip will implement a 4-port router with the ability to tie chips together to make larger routers without external glue logic. This part will have integrated LVDS drivers/receivers, include a PLL and include skew control logic. It will be targeted to run at greater than 300 MHz and include the implementation for the proposed SpaceWire transport layer. The need to provide a reliable transport mechanism for SpaceWire has been identified by both NASA And ESA, who are attempting to define a transport layer standard that utilizes a low overhead, low latency connection oriented approach that works end-to-end. This layer needs to be implemented in hardware to prevent bottlenecks.

Rakow, Glenn Parker↗
NASA NTRS2003

NASA/BAE Systems SpaceWire Efforts

This paper discusses the state of the NASA and BAE SYSTEMS developments using Spacewire. NASA has developed intellectual property that implements Spacewire in Register Transfer Level VHDL for a Spacewire link and router. This design has been extensively verified using directed tests from the Spacewire Standard and design specification, as well as being randomly tested to flush out hard to find bugs in the code. The high level features of the design will be discussed, including the support for multiple time code masters, which will be useful for the James Webb Space Telescope electrical architecture. This design is now ready to be targeted to FPGA's and ASICs. Target utilization and performance information will be presented for some spaceflight qualified FPGA's and a discussion of the ASIC implementations will be addressed. In particular, the BAE SYSTEMS ASIC will be highlighted which will be implemented in their 0.25 micron rad-hard line. The chip will implement a 4-port router with the ability to tie chips together to make larger routers without external glue logic. This part will have integrated LVDS driver/receivers, include a PLL and include skew control logic. It will be targeted to run at greater than 300 MHz and include the implementation for the proposed Spacewire transport layer. The need to provide a reliable transport mechanism for Spacewire has been identified by both NASA and ESA, who are attempting to define a transport layer standard that utilizes a low overhead, low latency connection oriented approach. The Transport layer needs to be implemented in hardware-to prevent bottlenecks.

Rakow, Glenn Parker↗
NASA NTRS2007

Hypervelocity Impact (HVI): General Introduction - Volume 1

During 2003 and 2004, the Johnson Space Center's White Sands Testing Facility in Las Cruces, New Mexico conducted hypervelocity impact tests on the space shuttle wing leading edge. Hypervelocity impact tests were conducted to determine if Micro-Meteoroid/Orbital Debris impacts could be reliably detected and located using simple passive ultrasonic methods. This volume contains an executive summary, overview of the method, brief descriptions of all targets, and highlights of results and conclusions.

Gorman, Michael R.↗
NASA NTRS2009

Low Cost Rapid Response Spacecraft, (LCRRS): A Research Project in Low Cost Spacecraft Design and Fabrication in a Rapid Prototyping Environment

The Low Cost Rapid Response Spacecraft (LCRRS) is an ongoing research development project at NASA Ames Research Center (ARC), Moffett Field, California. The prototype spacecraft, called Cost Optimized Test for Spacecraft Avionics and Technologies (COTSAT) is the first of what could potentially be a series of rapidly produced low-cost satellites. COTSAT has a target launch date of March 2009 on a SpaceX Falcon 9 launch vehicle. The LCRRS research system design incorporates use of COTS (Commercial Off The Shelf), MOTS (Modified Off The Shelf), and GOTS (Government Off The Shelf) hardware for a remote sensing satellite. The design concept was baselined to support a 0.5 meter Ritchey-Chretien telescope payload. This telescope and camera system is expected to achieve 1.5 meter/pixel resolution. The COTSAT team is investigating the possibility of building a fully functional spacecraft for $500,000 parts and $2,000,000 labor. Cost is dramatically reduced by using a sealed container, housing the bus and payload subsystems. Some electrical and RF designs were improved/upgraded from GeneSat-1 heritage systems. The project began in January 2007 and has yielded two functional test platforms. It is expected that a flight-qualified unit will be finished in December 2008. Flight quality controls are in place on the parts and materials used in this development with the aim of using them to finish a proto-flight satellite. For LEO missions the team is targeting a mission class requiring a minimum of six months lifetime or more. The system architecture incorporates several design features required by high reliability missions. This allows for a true skunk works environment to rapidly progress toward a flight design. Engineering and fabrication is primarily done in-house at NASA Ames with flight certifications on materials. The team currently employs seven Full Time Equivalent employees. The success of COTSATs small team in this effort can be attributed to highly cross trained engineering team. The engineers on the team are capable of functioning in two to three engineering disciplines which allows highly efficient interdisciplinary engineering collaboration. NASA Ames is actively proposing mission concepts to use the COTSAT platform to accomplish science. If the COTSAT team validates this approach, it will allow the possibility for remote sensing missions to produce a high science yield for minimal cost and reduced schedule. Another aim of this approach is to yield an accelerated pathway from a Phase A study to mission launch. Leaders in the aerospace industry have shown interest in this methodology. Several visits and tours have been given in the lab. Although the concept of low-cost development is initially met with skepticism from some within the prohibitive aerospace industry, the project's efforts have been highly praised for the accomplishments met within a limited time and budget. Overall the development has progressed tremendously well and the team is answering critical questions for current and future low-cost small satellite developments. COTSAT subsystems are not limited to a specific weight class and could be adapted to produce smaller platforms and to fit various launch vehicles.

Spremo, Stevan↗
DOE OSTI2024

Dual-Image Color Normalization to Enable High-Performance Concentrating Solar Optical Metrology

Concentrating Solar Power (CSP) requires precision mirrors, and these in turn require metrology systems to measure their optical slope. In this project we studied a color-based approach to the correspondence problem, which is the association of points on an optical target with their corresponding points seen in a reflection. This is a core problem in deflectometry-based metrology, and a color solution would enable important new capabilities. We modeled color as a vector in the [R,G,B] space measured by a digital camera, and explored a dual-image approach to compensate for inevitable changes in illumination color. Through a series of experiments including color target design and dual-image setups both indoors and outdoors, we collected reference/measurement image pairs for a variety of configurations and light conditions. We then analyzed the resulting image pairs by selecting example [R,G,B] pixels in the reference image, and seeking matching [R,G,B] pixels in the measurement image. Modulating a tolerance threshold enabled us to assess both match reliability and match ambiguity, and for some configurations, orthorectification enabled us to assess match accuracy. Using direct-direct imaging, we demonstrated color correspondence achieving average match accuracy values of 0.004 h, where h is the height of the color pattern. We found that wide-area two-dimensional and linear one-dimensional color targets outperformed hybrid linear/lateral gradient targets in the cases studied. Introducing a mirror degraded performance under our current techniques, and we did not have time to evaluate whether matches could be reliably achieved despite varying light conditions. Nonetheless, our results thus far are promising.

14 SOLAR ENERGY↗
DOE OSTI2024

Modeling and design of a separate effects irradiation test targeting fission gas release from Cr-doped UO 2

Fission gas release (FGR) from nuclear fuel during operation can diminish heat transfer properties across the pellet-cladding gap and increase the fuel rod internal pressure, thereby posing a concern to fuel reliability and safety during an accident. Enlarging the fuel grain size, which has been shown to improve fission gas retention, can be achieved by doping the fuel feedstock prior to sintering. In this work, the BISON fuel performance code was used to predict FGR from undoped and chromia-doped UO 2 (referred to as Cr-doped UO 2 ) fuel specimens with different grain sizes and across various temperatures. The BISON models identified the irradiation conditions for which FGR is most significant, and a separate effects irradiation experiment in the High Flux Isotope Reactor (HFIR) was then developed targeting those conditions. Further, the experiment leveraged the MiniFuel irradiation capability at Oak Ridge National Laboratory and consisted of 12 fuel specimens of varying grain size and Cr content. A coupling scheme between BISON FGR results and the ANSYS finite element thermal model used for experiment design was formulated to predict cumulative FGR from each fuel specimen based on expected irradiation temperature histories. The fuel samples were fabricated and characterized as a part of this work, and the fuel compositions modeled in BISON were representative of the specimens used in the experiment. This combined modeling and experimental effort aims to study the effect of fuel grain size and Cr content on FGR and to provide simulated BISON FGR results that can be used for future model validation activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Medium-duty Urban Range Extended Connected Powertrain (Final Scientific Technical Report)

The project goal is to develop and demonstrate a Class 4 delivery vehicle that reduces fuel consumption by 50% or more when compared to an equivalent vehicle with a conventional internal combustion engine (ICE) powertrain driven on a comparable duty cycle. This shall be achieved using a plug-in hybrid electric (PHEV) configuration that optimizes the efficiency of the ICE. The proposed solution aims to be commercially viable for fleets to procure the system without additional incentives. To accomplish this, commercialized light-duty vehicle electric drive components shall be used. A PHEV configuration for Class 4 MD/HD vocational vehicles using commercialized light-duty vehicle electric drive components will require the development of a new topology for the hybrid powertrain applicable to medium-duty vehicles. Prior research indicates that an identified novel power split device could provide a fuel economy improvement potential of up to 51%. Utilizing an advanced battery management algorithm that will allow operation closer to the battery limits, the project will minimize battery capacity to achieve the desired performance results while maintaining the cost target for high commercialization. The solution must be cost effective to purchase and integrate into a Class 4 delivery vehicle, deliver the intended fuel economy improvement, and perform as well, or better, than the current conventional ICE powertrain. MD/HD vehicles typically require higher power, which is one factor that results in high costs for the powerful electric machines typical in larger HEV/PHEV systems. A key element in the project is the use of commercially available Bosch electric drive components (e.g., motors, batteries, and power electronics) from the larger passenger vehicle segment. This leverages the economies of scale to decrease cost and improve reliability beyond current purpose-built low-volume commercial vehicle components. These innovations will result in a game-changing PHEV system that meets DOE’s 50% fuel consumption reduction target, grants the vehicle an uncompromised driving range, and achieves the cost point for widespread adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Benchmarking third-order cluster perturbation theory for electronically excited states

In this study, we investigate the reliability of cluster perturbation (CP) theory applied to the calculation of electronically excited states through a comprehensive benchmark. In CP theory, perturbative corrections are added to the properties of a parent excitation space, which converge toward the properties of a target excitation space. For the CPS(D-n) model, perturbative corrections through order n are added to the coupled cluster singles (CCS) excitation energies to target the coupled cluster singles and doubles (CCSD) excitation energies. Through a comparative analysis of excitation energy calculations across a diverse set of molecules and wavefunction methods, we present a comprehensive evaluation of the accuracy of the third-order CPS(D) model, CPS(D-3), in calculating excitation energies. Further, our findings demonstrate that CPS(D-3) is a reliable alternative to established methods, particularly CCSD, while systematically overestimating the excitation energies compared to high-level coupled cluster methods such as CC3. These results highlight the strengths and limitations of CPS(D-3), as well as the promising directions for its future development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗