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NASA NTRS2001

Terahertz-Regime, Micro-VEDs: Evaluation of Micromachined TWT Conceptual Designs

Summary form only given. The Terahertz (THz) region of the electromagnetic spectrum (approx.300-3000 GHz) has enormous potential for high-data-rate communications, spectroscopy, astronomy, space research, medicine, biology, surveillance, remote sensing, industrial process control, etc. The most critical roadblock to full exploitation of the THz band is lack of coherent radiation sources that are powerful (0.01-10.0 W continuous wave), efficient (>1 %), frequency agile (instantaneously tunable over 1% bandwidths or more), reliable, and relatively inexpensive. Micro-machined Vacuum Electron Devices (micro-VEDs) represent a promising solution. We describe prospects for miniature, THz-regime TWTs fabricated using micromachining techniques. Several approx.600 GHz conceptual designs are compared. Their expected performance has been analyzed using SD, 2.51), and 3D TWT codes. A folded waveguide (FWG) TWT forward-wave amplifier design is presented based on a Northrop Grumman (NGC) optimized design procedure. This conceptual device is compared to the simulated performance of a novel, micro-VED helix TWT. Conceptual FWG TWT backward-wave amplifiers and oscillators are also discussed. A scaled (100 GHz) FWG TWT operating at a relatively low voltage (-12 kV) is under development at NGC. Also, actual-size micromachining experiments are planned to evaluate the feasibility of arrays of micro-VED TWTs. Progress and results of these efforts are described. This work was supported, in part by AFOSR, ONR, and NSF.

Booske, John H.↗

NASA NTRS2022

Unlocking the Spacecraft and Human Habitat Microbiome to Enable the Next Generation of Space Exploration

Planetary protection is the discipline that prevents harmful contamination of the solar system during exploration activities. The current international guidelines and NASA policy addressing biological contamination on spacecraft surfaces contains prescriptive guidelines of spore requirements (e.g., 300 spores/m2, 5×105 spores per spacecraft) applicable to spacecraft bound for Mars. To verify these requirements spacecraft engineers sample spacecraft surfaces throughout the assembly, test and launch operations phase of the mission using damp water cotton swabs and polyester wipes. After sampling, the potential biological contamination is enumerated using a series of traditional microbiology techniques to include sonication, heat shocking at 80°C for 15min to select for spores, and growth on tryptic soy agar at 32°C for 72 hours. To enable crewed missions to Mars and robotic exploration of the Ocean Worlds a risk informed decision making / performance-based approach to assess biological contamination offers a promising solution in the trade space. Recognizing the need for a performance-based approach, NASA’s new Planetary Protection policies now incorporate the agility for missions to be able to leverage a performance or prescriptive approach. One of top contenders in the option space is a coupled quantitative, descriptive and functional based approach to be able to assess the quantity, types and capabilities of the biological contamination present on spacecraft surfaces. A tailored, mission by mission assurance case could then be formulated by building an argument around the target body, projected capabilities surrounding the types of organisms their potential for survival and proliferation, and ability to be transported on the target body to contaminate an area of biological interest. A performance-based requirement would then be used to demonstrate the mission’s compliance in protecting the planetary environment safety objectives. This symposium talk will showcase the background and need case for NASA to develop such a capability as well as provide an update on the efforts underway in developing a transparent and responsible performance-based approach to biological contamination assessments on spacecraft surfaces.

Habitat Microbiome↗

DOE OSTI2026

Vision and Development of a Design, Implementation, and Verification Automation (DIVA) Software Platform for DNA Construction

Abstract DNA construction, while a prerequisite to many biological endeavors, is often a time-consuming distraction from an individual’s primary research objectives. We envisioned that with the right software infrastructure and cultural mindset, a single person could execute in parallel the batched DNA construction tasks of an entire research institute, at scales realizing efficiency gains through process and laboratory automation. In pursuit of this vision, we developed the Design, Implementation, and Verification Automation (DIVA) software platform. DIVA’s web interface enables researchers to design DNA constructs (using visual biological computer-aided design tools and biological parts repositories), submit designs for construction to dedicated staff, and track DNA construction as it progresses. DIVA supports the dedicated staff through the DNA construction process and records both successful and unsuccessful attempts toward improving the overall process. The platform is publicly available at public-diva.jbei.org and its open-source code through github.com/JBEI/DIVA.

Plahar, Hector [DOE Agile BioFoundry , , ,; DOE Jo↗

NASA NTRSDate not supplied

The Inspectability Metric: A Formalized System Of Measurement Enabling The Design For Inspection Framework

Nondestructive evaluation (NDE) engineers are often confronted with structural design choices that present challenges to meeting inspection requirements. These challenges, at best, increase the resources needed to design an inspection solution and, at worst, require resource intensive redesign of the structure. If the inspectability of the structure can be determined early in the design cycle, these challenging inspection scenarios can be avoided. The emergence of additive manufacturing has further compounded this problem by enabling the creation of highly optimized structures with no regard to inspection constraints. Design for inspection (DFI) offers a framework to integrate nondestructive evaluation (NDE) into the design process to alleviate the mechanisms that produce uninspectable designs. DFI is the concept of including inspectability in a multi-objective optimization framework so that it can be considered in parallel to other metrics such as mass and manufacturability. This allows rapid evaluation of the trade-off between design metrics to find solutions that meet the inspection needs of a particular material system, structural concept, or vehicle program. To enable DFI, there must be a system by which the inspectability of a structure can be measured. This system must be agile to produce results quickly, it must be versatile to work with the type of incomplete information one would encounter early in the design process (such as lack of inspection requirements), and it must be delivered in a form that is easily understood by designers. To meet this need, this presentation introduces the novel inspectability metric as a system to measure inspectability. The inspectability metric is a standardized, automation friendly procedure that uses simulations to determine inspectability. Along with guidelines to properly process designs and integrate with existing workflows, the inspectability metric provides a suite of simulation tests to interrogate the ability to find defects and the sensitivity to variability. The testing rubric is designed to maximize the coverage of the parameter space while minimizing the number of simulations needed. The inspectability metric has been in development in collaboration with industry partners to ensure compatibility with modern simulation tools and aerospace design workflows. In this study, we will demonstrate how the inspectability metric is able to determine the inspectability of multiple types of structures, including aerospace composites and additively manufactured parts. We will then show how the inspectability score can be plugged into existing design optimization tasks, such as structural sizing algorithms or design for manufacturing (DFM) frameworks.

Design for inspection↗

NASA NTRS2022

Benchmarking and Testing of Qualcomm Snapdragon System-on-Chip for JPL Space Applications and Missions

As some space missions become more challenging due to new environments, greater distances, or more limited size, weight, and power (SWaP) constraints, spacecraft avionics must adapt to allow the spacecraft to be more autonomous and agile---eliminating the Spacecraft-Earth-Spacecraft feedback loop whenever possible. Prime examples of such missions include Aerobots (such as Ingenuity with extremely low SWaP constraints and demanding signal/image processing during flight) and landers in possibly hostile environments (such as a Europa lander mission, with limited communication capacity, high latency, and constrained power budget). To address these challenges, JPL worked with Qualcomm to demonstrate the use of their Snapdragon 801 system-on-chip (SoC) onboard the Ingenuity Helicopter on Mars. The Qualcomm Snapdragon SoC contains various subsystems, including an ARM cluster, a Graphics processing unit, a Digital Signal Processing subsystem, a Neural Processing Engine, Image Signal Processing subsystem, among others. Since the success of Ingenuity, JPL is continuing to work with Qualcomm to address other applications of the Snapdragon SoC technology. This includes the deployment of two 855 Snapdragon development boards onboard the International Space Station (ISS) for successful in-situ benchmarking of applications in space (beyond those tested on Ingenuity). In this paper, we will examine the performance of various applications that have been identified to benefit from greater onboard computational capability. These applications include (among others): machine vision algorithms that are expected to be critical in autonomous entry-descent-and-landing scenarios and real-time Aerobot flight navigation; Hyperspectral compression algorithms; Synthetic Aperture Radar Processing along with various instrument processing algorithms. We discuss how the infusion of Qualcomm's Snapdragon SoC is capable of enabling missions that may not have been able to achieve their goals with traditional flight computing. In addition, we also show that for some algorithms, the software implementation on the Snapdragon SoC outperforms traditional FPGA implementations.

Cretu, Vlad↗

DOE OSTI2024

Development of a Platform for High-Resolution Ion Mobility Separations Coupled with Messenger Tagging Infrared Spectroscopy for High-Precision Structural Characterizations

The ability to uniquely identify a compound requires highly precise and orthogonal measurements. Here we describe a newly developed analytical platform that integrates high resolution ion mobility and cryogenic vibrational ion spectroscopy for high-precision structural characterizations. This platform allows for the temporal separation of isomeric/isobaric ions and provides a highly sensitive description of the ion’s adopted geometry in the gas phase. The combination of these orthogonal structural measurements yields precise descriptors that can be used to resolve between and confidently identify highly similar ions. The unique benefits of our instrument, which integrates a structures for lossless ion manipulations ion mobility (SLIM IM) device with messenger tagging infrared spectroscopy, include the ability to perform high-resolution ion mobility separations and to record the IR spectra of all ions simultaneously. The SLIM IM device, with its 13 m separation path length, allows for multipass experiments to be performed for increased resolution as needed. It is integrated with an Agilent qTOF MS where the collision cell was replaced with a cryogenically held (30 K) TW-SLIM module. The cryo-SLIM is operated in a novel manner that allows ions to be streamed through the device and collisionally cooled to a temperature where they can form noncovalently bound N 2 complexes that are maintained as they exit the device and are detected by the TOF mass analyzer. The instrument can be operated in two modes: IMS+IR where the IR spectra for mobility-selected ions can be recorded and IR-only mode where the IR spectra for all mass-resolved ions can be recorded. In IR-only mode, IR spectra (400 cm –1 spectral range) can be recorded in as short as 2 s for high throughput measurements. Further, this work details the construction of the instrument and modes of operation. It provides initial benchmarking of CCS and IR measurements to demonstrate the utility of this instrument for targeted and untargeted approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

Human Exploration Using Real-Time Robotic Operations (HERRO)- Crew Telerobotic Control Vehicle (CTCV) Design

The HERRO concept allows real time investigation of planets and small bodies by sending astronauts to orbit these targets and telerobotically explore them using robotic systems. Several targets have been put forward by past studies including Mars, Venus, and near Earth asteroids. A conceptual design study was funded by the NASA Innovation Fund to explore what the HERRO concept and it's vehicles would look like and what technological challenges need to be met. This design study chose Mars as the target destination. In this way the HERRO studies can define the endpoint design concepts for an all-up telerobotic exploration of the number one target of interest Mars. This endpoint design will serve to help planners define combined precursor telerobotics science missions and technology development flights. A suggested set of these technologies and demonstrator missions is shown in Appendix B. The HERRO concept includes a crewed telerobotics orbit vehicle as well three Truck rovers, each supporting two teleoperated geologist robots Rockhounds (each truck/Rockhounds set is landed using a commercially launched aeroshell landing system.) Options include a sample ascent system teamed with an orbital telerobotic sample rendezvous and return spacecraft (S/C) (yet to be designed). Each truck rover would be landed in a science location with the ability to traverse a 100 km diameter area, carrying the Rockhounds to 100 m diameter science areas for several week science activities. The truck is not only responsible for transporting the Rockhounds to science areas, but also for relaying telecontrol and high-res communications to/from the Rockhound and powering/heating the Rockhound during the non-science times (including night-time). The Rockhounds take the place of human geologists by providing an agile robotic platform with real-time telerobotics control to the Rockhound from the crew telerobotics orbiter. The designs of the Truck rovers and Rockhounds will be described in other publications. This document focuses on the CTCV design.

Oleson, Steven R.↗

NASA NTRS2012

Earth's Most Powerful Natural Particle Accelerator

Thunderstorms launch antimatter, gamma rays, and highly energetic electrons and neutrons to the edge of space. This witches' brew of radiation is generated at the edge of the stratopause, by the strong electric fields associated with lightning discharges. In less than a quarter millisecond, an explosive feedback process takes an initial seed population of electrons, perhaps produced by cosmic rays from dying stars, and amplifies them a billion billion-fold in the rarefied air over high altitude thunderheads. The electrons generate gamma radiation as they travel through the stratosphere and lower mesosphere, momentarily brighter and of harder spectrum than cosmic gamma ray bursts. These electrons ultimately are absorbed by the atmosphere, but the gamma rays continue on, into the upper reaches of the atmosphere, where they in turn generate a new population of electrons, positrons, and energetic neutrons. These secondary electrons and positrons move along the magnetic field, and can reach near-earth space, streaming through the inner radiation belts, and possibly contributing to the trapped populations there. First postulated by Wilson in 1925, and serendipitously discovered by the Compton Gamma Ray Observatory in 1994 [Fishman et al.], these events, known as "Terrestrial Gamma ray Flashes" (TGFs), represent the most intense episodes of particle acceleration on or near the Earth, resulting in electrons with energies up to 100 MeV. Recent observations by the RHESSI [Smith et al., 2004], Fermi [Briggs et al., 2010], and AGILE [Tavani et al., 2011] satellites, and theoretical and computational modeling, have suggested that the relativistic runaway electron avalanche (RREA) mechanism [Gurevich, 1992], and important modifications, such as the relativistic feedback discharge (RFD) model [Dwyer 2012] can best explain the observations at present. In these models, strong thunderstorm electric fields drive seed electrons, generated from cosmic ray interactions, into a runaway discharge, in which the seed electrons continually gain energy from the electric field, creating a host of secondaries as they interact with the background atmospheric gas. The feedback mechanisms include backwards-propagating positrons and gamma rays, which then can generate new "seed" electrons at the base of the acceleration region, and themselves generate further avalanche chain reactions, greatly amplifying the initial seed population. All these processes happen in the stratosphere, in the altitude range near 15-20 km, where the electric fields and mean free paths are appropriate to allow the discharge to develop.

Rowland, Doug↗

DOE OSTI2025

Machine learning prediction of enzyme optimum pH

The relationship between pH and enzyme catalytic activity, especially the optimal pH (pH opt ) at which enzymes function, is critical for biotechnological applications. Hence, computational methods to predict pH opt will enhance enzyme discovery and design by facilitating accurate identification of enzymes that function optimally at specific pH levels, and by elucidating sequence-function relationships. Here, in this study, we proposed and evaluated various machine learning methods for predicting pH opt , conducting extensive hyperparameter optimization and training over 11,000 model instances. Our results demonstrate that models utilizing language model embeddings markedly outperform other methods in predicting pHopt. We present EpHod, the best-performing model, to predict pHopt, making it publicly available to researchers. From sequence data, EpHod directly learns structural and biophysical features that relate to pH opt , including proximity of residues to the catalytic centre and the accessibility of solvent molecules. Overall, EpHod presents a promising advancement in pH opt prediction and will potentially speed up the development of enzyme technologies.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2014

Monitoring of the Crab Nebula with Chandra and Other Observatories Including HST

Subsequent to the detections AGILE and Fermi/LAT of the gamma‐ray flares from the Crab Nebula in the fall of 2010, this team has been monitoring the X‐Ray emission from the Crab on a regular basis. X‐Ray observations have taken place typically once per month when viewing constraints allow and more recently four times per year. There have been notable exceptions, e.g. in April of 2011 and March 2013 when we initiated a set of Chandra Target of opportunity observations in conjunction with bright gamma‐ray flares. For much of the time regular HST observations were made in conjunction with the Chandra observations. The aim of this program to further characterize, in depth, the X‐Ray and optical variations that take place in the nebula, and by so doing determine the regions which contribute to the harder X‐ray variations and, if possible, determine the precise location within the Nebula of the origin of the gamma‐ray flares. As part of this project members of the team have developed Singular Value Decomposition techniques to sequences of images in order to more accurately characterize features. The current status of the project will be presented highlighting studies of the inner knot and possible correlations with the flares.

Weisskopf, Martin C.↗

NASA NTRS1987

Space-qualified submillimeter radiometer

The purpose of this research was to develop a reliable submillimeter wave spectrometer for space-borne high frequency spectral line work. The emphasis was on improving the efficiency of frequency multipliers to limit the system components to rugged, low power consumption solid-state devices. This research has allowed Millitech to develop increased efficiency and performance in Millitech's existing line of submillimeter components and systems. Millitech has fabricated and tested a complete solid-state spectrometer front end for use at 560 GHz (the 1(sub 10) to 1(sub 01) transition of water vapor). The spectrometer was designed with the rigors of flight conditions in mind. The spectrometer uses a phase-locked, solid-state Gunn diode oscillator as the local oscillator, employing a tripler to produce about 3 mW of power at 285 GHz, and a low noise second harmonic waveguide mixer which requires less than 2 mW of LO power. The LO (and the signal) is injected into the mixer by means of a quasioptical diplexer. The measured system noise temperature is 2800 K (DSB) over 400 MHz. The whole spectrometer front end is compact (21 cm by 21 cm by 24 cm), light (7.4 kg), and has a power consumption of less than 8 W. Other topics explored in this work include compact frequency agile phase lock loops, optical filters, and InP Gunn oscillators for low noise applications. As a result of this research, the improvement in the design of multipliers and harmonic mixers will allow their use as the LO power for a variety of satellite-borne receivers operating in the 200 to 600 GHz frequency range.

Huguenin, G. R.↗

NASA NTRS2004

The Role of Beam Geometry in Population Statistics and Pulse Profiles of Radio and Gamma-ray Pulsars

We present results of a pulsar population synthesis study that incorporates a number of recent developments and some significant improvements over our previous study. We have included the results of the Parkes multi-beam pulsar survey in our select group of nine radio surveys, doubling our sample of radio pulsars. More realistic geometries for the radio and gamma-ray beams are included in our Monte Carlo computer code that simulates the characteristics of the Galactic population of radio and gamma-ray pulsars. We adopted with some modifications the radio beam geometry of Arzoumanian, Chernoff & Cordes (2002). For the gamma-ray beam, we have assumed the slot gap geometry described in the work of Muslimov & Harding (2003). To account for the shape of the distribution of radio pulsars in the P(dot) - P diagram, we continue to find that decay of the magnetic field on a timescale of 2.8 Myr is needed. With all nine surveys, our model predicts that EGRET should have seen 7 radio-quiet (below the sensitivity of these radio surveys) and 19 radio-loud gamma-ray pulsars. AGILE (nominal sensitivity map) is expected to detect 13 radio-quiet and 37 radio-loud gamma-ray pulsars, while GLAST, with greater sensitivity is expected to detect 276 radio-quiet and 344 radio-loud gamma-ray pulsars. When the Parkes multi-beam pulsar survey is excluded, the ratio of radio-loud to radio-quiet gamma-ray pulsars decreases, especially for GLAST. The decrease for EGRET is 45%, implying that some fraction of EGRET unidentified sources are radio-loud gamma-ray pulsars. In the radio geometry adopted, short period pulsars are core dominated. Unlike the EGRET gamma-ray pulsars, our model predicts that when two gamma-ray peaks appear in the pulse profile, a dominant radio core peak appears in between the gamma-ray peaks. Our findings suggest that further improvements are required in describing both the radio and gamma-ray geometries.

Gonthier, Peter L.↗

NASA NTRS1994

High angle of attack flying qualities criteria for longitudinal rate command systems

This study was designed to investigate flying qualities requirements of alternate pitch command systems for fighter aircraft at high angle of attack. Flying qualities design guidelines have already been developed for angle of attack command systems at 30, 45, and 60 degrees angle of attack, so this research fills a similar need for rate command systems. Flying qualities tasks that require post-stall maneuvering were tested during piloted simulations in the McDonnell Douglas Aerospace Manned Air Combat Simulation facility. A generic fighter aircraft model was used to test angle of attack rate and pitch rate command systems for longitudinal gross acquisition and tracking tasks at high angle of attack. A wide range of longitudinal dynamic variations were tested at 30, 45, and 60 degrees angle of attack. Pilot comments, Cooper-Harper ratings, and pilot induced oscillation ratings were taken from five pilots from NASA, USN, CAF, and McDonnell Douglas Aerospace. This data was used to form longitudinal design guidelines for rate command systems at high angle of attack. These criteria provide control law design guidance for fighter aircraft at high angle of attack, low speed flight conditions. Additional time history analyses were conducted using the longitudinal gross acquisition data to look at potential agility measures of merit and correlate agility usage to flying qualities boundaries. This paper presents an overview of this research.

Wilson, David J.↗

NASA NTRSDate not supplied

Abrstract - OnePlace Redesign Spring 2020 Internship

The project I worked on was the OnePlace Redesign. In that, I converted the OnePlace home page to the Service Portal to match NASA OnePlace’s current application design standards, I was able to allow users to easily find applications in OnePlace and I was able to allow users to easily find and request OnePlace services (new app development, new knowledge base, etc.). It was a major accomplishment to be able to remodel a website that soon the entire Langley center that uses OnePlace will use. The website was made through ServiceNow’s Service Portal, and I organized the applications like never before, allowed a clear styling to applications a user does not have access to and/or are new applications, browsing of applications with clear button divisions, and allowing for different options depending if app is accessible or not, with proper error checking in place and very-well documented code. It was amazing to incorporate all this logic into one widget so that whoever wants to utilize this feature has no trouble at all to do so. The 3 most important things I learned were being able to do this work within ServiceNow, as it is such an important enterprise platform for CRM and boosting the connected workforce of NASA, incorporate built-in APIs from ServiceNow Glide Records to connect Server Scripts to Client Scripts and HTML, and be able to use agile to get another experience of managing work capacity with stories, and having proper communication with the team if every feature is done correctly and steps for continuing forward. The part that I enjoyed the most was the training I did for ServiceNow and I freedom I had to experiment to see how to structure the Service Portal. I was not tied down, and I believe this allowed for a better outcome of the product. As part of the internship, I created a very in-depth design document with the help of my team to document the project goals before it was started and technical documentation (including the design document) summarizing the final result of the product in terms of the new features added and the explanation of the logic thoroughly so that anyone can understand the project easily. The technical documentation will be published as a Knowledge Article within OnePlace Knowledge Base documentation.

Ariel Wald↗

DOE OSTI2025

Inducible flippase-mediated metabolic engineering of Rhodosporidium toruloides for enhanced 3-hydroxypropionic acid production from corn stover hydrolysate

Rhodosporidium toruloides has gained increasing interests as a promising non-model host organism to produce a wide range of bioproducts from lignocellulosic biomass. Increasing the bioproduct titers, rates, and yields remains a challenge, largely due to a lack of robust and well-characterized genetic tools in this host. Here we developed an inducible flippase (FLP) and flippase recognition target (FRT) system that enables genetic manipulations without the need for additional selection markers. Synthetic inducible promoters were established, enabling regulation of FLP expression and efficient antibiotic marker removal. Leveraging this system, we engineered a strain to optimize 3-hydroxypropionic acid (3HP) production. Over four rounds of iterative genomic editing to resolve pathway bottlenecks, we achieved a 3HP titer of 69.4 g/L in fed-batch fermentation - the highest level reported in yeast from lignocellulosic hydrolysates. The engineered high 3HP producing strain offers a robust platform for sustainable bio-based chemical production from lignocellulosic feedstocks.

3-hydroxypropionic acid↗

NASA NTRS1997

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

This report documents the progress achieved over the past 6 to 12 months on four graduate student projects conducted within the NASA-UVA Light Aerospace Alloy and Structures Technology Program. These studies were aimed specifically at light metallic alloy issues relevant to the High Speed Civil Transport. Research on Hydrogen-Enhanced Fracture of High-Strength Titanium Alloy Sheet refined successfully the high resolution R-curve method necessary to characterize initiation and growth fracture toughnesses. For solution treated and aged Low Cost Beta without hydrogen precharging, fracture is by ductile transgranular processes at 25 C, but standardized initiation toughnesses are somewhat low and crack extension is resolved at still lower K-levels. This fracture resistance is degraded substantially, by between 700 and 1000 wppm of dissolved hydrogen, and a fracture mode change is affected. The surface oxide on P-titanium alloys hinders hydrogen uptake and complicates the electrochemical introduction of low hydrogen concentrations that are critical to applications of these alloys. Ti-15-3 sheet was obtained for study during the next reporting period. Research on Mechanisms of deformation and Fracture in High-Strength Titanium Alloys is examining the microstructure and fatigue resistance of very thin sheet. Aging experiments on 0. 14 mm thick (0.0055 inch) foil show microstructural agility that may be used to enhance fatigue performance. Fatigue testing of Ti-15-3 sheet has begun. The effects of various thermo-mechanical processing regimens on mechanical properties will be examined and deformation modes identified. Research on the Effect of Texture and Precipitates on Mechanical Property Anisotropy of Al-Cu-Mg-X and Al-Cu alloys demonstrated that models predict a minor influence of stress-induced alignment of Phi, caused by the application of a tensile stress during aging, on the yield stress anisotropy of both modified AA2519 and a model Al-Cu binary alloy. This project is no longer included in the NASA-UVA LAST program. Research on the Creep Behavior and Microstructural stability of Al-Cu-Mg-Ag and Al-Cu-Li-Mg-Ag showed that the creep resistance of three candidate aluminum alloys (C415, C416 and ML377) was much superior compared to that of the current Concorde alloy, AA2618. Creep induced change in precipitates at grain boundaries was observed in the alloy which exhibits the highest creep strain of the three examined. The other two alloys developed no detectable microstructural changes at grain boundaries under the creep conditions tested.

Gangloff, Richard P.↗

DOE OSTI2024

2019 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is necessary to meet the continual challenging national workforce needs that arise as computational science and engineering problems continue to grow in scope and complexity. Computational science and engineering (CSE) is a multidisciplinary approach that uses scientific computing to solve practical problems methods and to supply technical tools across the scientific discovery spectrum. In particular, the DOE CSGF emphasizes high-performance computing (HPC) that enables CSE that advances science and engineering in directions important to the DOE and the economy in general. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines, such as biology and cosmology, have been transformed through the augmentation of scientific observation via HPC. At government laboratories and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, renewable energy, fusion-reactor design, additive manufacturing, nanomaterials for next-generation batteries and transistors, and turbine and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development — including continuing to rise to the challenge of pandemic-related research. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing.” An explosion in scientific and technological data has driven the need for increasingly sophisticated HPC to transform those data into scientific understanding. With access to more and more data and the proliferation of HPC, Machine Learning and Artificial Intelligence are experiencing a renaissance, complementing the now well-established use of computational simulation. Indeed, in its September 2020 subcommittee report on “AI/ML, Data Intensive Science and High-Performance Computing”, the DOE Advanced Scientific Computing Advisory Committee (ASCAC) explicitly called for a fellowship program to train computational and data scientists to tackle exascale and data-intensive computing challenges. This collaboration of empirical and theory-based modeling will increasingly inform federal policymakers whose decisions affect American society and future generations, and it requires highly skilled and intellectually agile computational scientists who can support the fast-moving DOE National Laboratory research environment. In fact, the DOE CSGF program has explicitly and consistently addressed this need.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Open-Source and FAIR Research Software for Proteomics

Scientific discovery relies on innovative software as much as experimental methods, especially in proteomics, where computational tools are essential for mass spectrometer setup, data analysis, and interpretation. Since the introduction of SEQUEST, proteomics software has grown into a complex ecosystem of algorithms, predictive models, and workflows, but the field faces challenges, including the increasing complexity of mass spectrometry data, limited reproducibility due to proprietary software, and difficulties integrating with other omics disciplines. Closed-source, platform-specific tools exacerbate these issues by restricting innovation, creating inefficiencies, and imposing hidden costs on the community. Open-source software (OSS), aligned with the FAIR Principles (Findable, Accessible, Interoperable, Reusable), offers a solution by promoting transparency, reproducibility, and community-driven development, which fosters collaboration and continuous improvement. In this manuscript, we explore the role of OSS in computational proteomics, its alignment with FAIR principles, and its potential to address challenges related to licensing, distribution, and standardization. Drawing on lessons from other omics fields, we present a vision for a future where OSS and FAIR principles underpin a transparent, accessible, and innovative proteomics community.

97 MATHEMATICS AND COMPUTING↗