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

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At least 73 records · Page 4

Algorithms and file structures to enhance software workflows for ion mobility mass spectrometry (IM-MS): CRADA 410 (Final Report)

This document is the final report for CRADA 410 (Project No. 72496). The purpose of this project was supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based metabolite characterization. PNNL worked with Agilent to evaluate and improve the integration of ion mobility into existing MS data analysis methods of Agilent software tools. The project augmented PNNL’s capabilities to analyze complex omics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining ion mobility with mass spectrometry for widespread applications in life sciences and other fields.

97 MATHEMATICS AND COMPUTING↗

First 210 solar days of Mars 2020 Perseverance Robotic Operations – Mobility, Robotic Arm, Sampling, and Helicopter

This paper includes the summary, lessonslearned, and upcoming plans for the first 210 Mars solar days(sols) of the mission. The focus of the paper is on roboticoperations which has the primary responsibility for strategicplanning, uplink commanding and downlink analysis forrover mobility and navigation, robotic arm operation, thesampling and caching capability including coring, theadaptive caching assembly and the 2nd sample handlingrobotic arm, and interface to the Mars helicopter Ingenuity.As of Sol 210 the rover has driven 2663.65 meters, executed20764 robotic arm and sampling commands, and hassuccessfully completed 13 helicopter flights covering 2382meters horizontal distance. It includes the OperationsReadiness Tests in preparation for landing, landing and initialcheckouts, strategic route planning to the science destinationand waypoints, surface checkout of all of the roboticscapability of the rover. It also discusses the strategic planningand tactical agility needed for interleaving scienceinvestigation and technology demonstration of the Marshelicopter flights where a minimum distance had to bemaintained between the rover and helicopter during flights. Itdiscusses the challenges with planning robotic operations andaddressing anomalies with the larger uncertainty presentduring early mission operations. It also discusses the impacton robotic operations from lessons incorporated fromprevious missions.

Ono, Hiro↗

Physical Sciences Vistas: Perspectives on Simultaneous Excellence (Issue 1, 2023)

The issue begins with an article highlighting Physics Division’s involvement in diagnostic development that led to the measurement of ignition at the National Ignition Facility at Lawrence Livermore National Laboratory. Subsequent articles transition to some of the materials development occurring in Sigma, Materials Science and Technology, and Materials Physics and Applications divisions. This is inclusive of the development of next generation moderator materials as an enabling technology of small modular reactors. These materials will most likely be qualified at a facility at Idaho National Laboratory. The issue also highlights development of novel, additively manufactured foams for next generation weapons. This work is being done in close collaboration with the Kansas City National Security Campus to enable transition of materials development to production in a more agile way. Finally, an article describes Accelerator Operations and Technology Division’s hard work to replace the legacy remote instrumentation and control equipment at the Los Alamos Neutron Science Center (LANSCE) with a modern control system. The story discusses how that engineering success will lead to improved sustainability of the beam during operation and thus a better experience for all of our collaborators and partners in the LANSCE user program.

36 MATERIALS SCIENCE↗

Materials Dynamics

The Materials Dynamics area of leadership focuses on understanding process-structure-properties-performance (PSPP) relationships for the extreme conditions of dynamic loading. This research encompasses controlled synthesis of materials to meet dynamic performance requirements and entails computational coupling across length and time scales for three-dimensional microstructure modeling. For this leadership area, we define dynamic loading as strain rates ≥ 10 3 /s and often, high pressures. A key grand challenge of this area is to predict and measure the evolution of microstructural phases, defect structures, and electronic structure under dynamic conditions while also measuring local temperature to understand transition states. Solving this challenge will require agile, multi-dimensional data analysis and interpretation capability.

36 MATERIALS SCIENCE↗

Development of a Telescope for Medium-Energy Gamma-Ray Astronomy

Since the launch of AGILE and FERMI, the scientific progress in high-energy (E(sub gamma) greater than approximately 200 MeV) gamma-ray science has been, and will continue to be dramatic. Both of these telescopes cover a broad energy range from approximately 20 MeV to greater than 10 GeV. However, neither instrument is optimized for observations below approximately 200 MeV where many astrophysical objects exhibit unique, transitory behavior, such as spectral breaks, bursts, and flares. Hence, while significant progress from current observations is expected, there will nonetheless remain a significant sensitivity gap in the medium-energy (approximately 0.1-200 MeV) regime; the lower end of this range remains largely unexplored whereas the upper end will allow comparison with FERMI data. Tapping into this unexplored regime requires significant improvements in sensitivity. A major emphasis of modern detector development, with the goal of providing significant improvements in sensitivity in the medium-energy regime, focuses on high-resolution electron tracking. The Three-Dimensional Track Imager (3-DTI) technology being developed at GSFC provides high resolution tracking of the electron-positron pair from gamma-ray interactions from 5 to 200 MeV. The 3-DTI consists of a time projection chamber (TPC) and 2-D cross-strip microwell detector (MWD). The low-density and homogeneous design of the 3-DTI, offers unprecedented sensitivity by providing angular resolution near the kinematic limit. Electron tracking also enables measurement of gamma-ray polarization, a new tool to study astrophysical phenomenon. We describe the design, fabrication, and performance of a 30x30x30 cubic centimeters 3-DTI detector prototype of a medium-energy gamma-ray telescope.

Hunter, Stanley D.↗

Thermophilic Chassis-Enabled High-Throughput Selection of a Thermostable Fluorogenic Reporter

Thermostable proteins show increased shelf life and performance at elevated temperatures and under harsh conditions, resulting in lower costs for various industrial and biotechnological applications. However, due to a limited understanding of the relationship between stability and function, protein stabilization remains primarily a trial-and-error approach. Therefore, building a combinatorial library of mutations predicted to improve stability, followed by experimental testing, represents a markedly improved methodology. However, the lack of high-throughput approaches to screen even a moderately sized library presents a major bottleneck in the field. Here, in this study, we use a thermophile, Parageobacillus thermoglucosidasius (Ptherm) to rapidly screen combinatorial libraries consisting of rationally designed thermostabilizing mutations (∼10 3 –10 4 ) of a mesophilic fluorescent reporter, Y-FAST. On a Petri dish, microbial growth at an elevated temperature and exposure to fluorogen yielded several colonies of Ptherm that showed distinct fluorescence at 55 and 68 °C in our two sequentially generated libraries using Rosetta and ProteinMPNN, respectively. The Y-FAST variants isolated from fluorescent colonies were brighter than Y-FAST and showed higher resistance to thermal and chemical denaturation. AlphaFold-predicted structures and MD simulations revealed stability-enhancing salt bridges and hydrogen bond networks in the isolated FAST variants. The moderately thermostable FAST (tsFAST) and hyperstable FAST (hsFAST) were then demonstrated as translation reporters for protein expression and folding at elevated temperatures, such as 55 and 68 °C. Our approach of combinatorial library generation and high-throughput screening in a thermophilic chassis could, in principle, be extended to other proteins fused to these translation reporters. Furthermore, the hsFAST protein is small─half the size of the green fluorescent protein─and does not require oxygen for maturation, making it ideal for engineering extremophilic anaerobes for biosensing and bioconversion.

59 BASIC BIOLOGICAL SCIENCES↗

Collaborative Research: Explosive reconnection in relativistic magnetically-dominated plasmas (Final Report)

Magnetic fields can be the dominant component of astrophysical plasmas, so that the magnetic energy density might exceed even the rest-mass energy density of matter. In this extreme (and largely unexplored) regime the magnetic field controls the overall plasma evolution, dissipation, and acceleration of non-thermal particles. This plasma regime, applicable to a variety of astrophysical sources - magnetars, pulsars and pulsar wind nebulae (PWNe), jets of Active Galactic Nuclei (AGNs) and Gamma-Ray Bursters (GRBs) - is dramatically different from laboratory plasmas, the magnetospheres of planets, and the interplanetary plasma. Relativistic astrophysical sources then provide an unique opportunity to study the fundamental plasma physics of magnetically-dominated plasmas; a novel and fast-evolving field of theoretical research which, by investigating energy conversion and particle energization processes in plasmas, is of vital importance to the Fusion Energy Sciences DoE program. Data coming from astrophysical high-energy missions, especially the Crab Nebula flares recently observed by the Fermi and AGILE satellites, suggest that the acceleration of non-thermal particles to the highest energies occurs in magnetic reconnection events - a major change of paradigm in high-energy astrophysics. Most importantly, observations demand that particle acceleration should proceed extremely fast (with accelerating electric field of the order of the magnetic field) and on macroscopic scales (much larger, e.g., than the microscopic plasma skin depth). We are conducting studies of the microphysics of magnetically-dominated plasmas focussing in particular on the highly dynamic regime of explosive reconnection and associated particle acceleration in relativistic plasmas. We are studying the stability and explosive plasma dynamics, particle acceleration and radiation production in a number of idealized plasma configurations that approximate relevant astrophysical sources (like the magnetic ABC structures and interacting flux tubes, as well as generalizations of analytical models of X-point collapse to relativistic plasmas). The well-studied case of the Crab Nebula is taken as a prototypical example for the application of the model. We are combining analytical studies of explosive magnetic dynamics and dissipation in relativistic plasmas with particle-in-cell (PIC) simulations and fluid simulations. The theoretical model, fluid and particle-in-cell simulations are cross-checked for agreement and convergence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Innovative Development of a Cross-Center Timeline Planning Tool

The Payload Operations Integration Center (POIC) at Marshall Space Flight Center (MSFC) supports planning, coordination and scheduling of science activities for the International Space Station (ISS) in coordination with other NASA centers, international partners, and payload developers. The ability to efficiently plan and re-plan in response to change is critical to the flight planning teams. With the achievement of supporting a fourth crew member aboard the ISS and an increasing amount of payload science activities, came the need for a dynamic, more efficient way of building timeline planning reports that could be readily updated as fast as payload science plans could change. This paper addresses software architecture considerations in the successful cross-center development of an automated planning tool with multiple data sources. It also discusses the practical implementation of a time-boxed, hybrid Agile Software Development (ASD) approach to deliver customer-driven value despite changing requirements with respect to low-Earth orbit operational planning activities. The goal of this paper is to open discussion with members of the international community and trade effective strategies for cross-center architectural and customer-developer driven collaborations, to support increasing utilization of planning and conducting science activities in space.

Pedoto, Ramon W.↗

Rovers for intelligent, agile traverse of challenging terrain

Planetary surface mobility has to date been limited to benign locations. If rover systems could be developed for more challenging terrain, e.g., sloped and irregularly feathered areas, then planetary science opportunities would be greatly expanded.

rover terrain surface mobility↗

Observing System Simulation Experiment (OSSE) for the HyspIRI Spectrometer Mission

The OSSE software provides an integrated end-to-end environment to simulate an Earth observing system by iteratively running a distributed modeling workflow based on the HyspIRI Mission, including atmospheric radiative transfer, surface albedo effects, detection, and retrieval for agile exploration of the mission design space. The software enables an Observing System Simulation Experiment (OSSE) and can be used for design trade space exploration of science return for proposed instruments by modeling the whole ground truth, sensing, and retrieval chain and to assess retrieval accuracy for a particular instrument and algorithm design. The OSSE in fra struc ture is extensible to future National Research Council (NRC) Decadal Survey concept missions where integrated modeling can improve the fidelity of coupled science and engineering analyses for systematic analysis and science return studies. This software has a distributed architecture that gives it a distinct advantage over other similar efforts. The workflow modeling components are typically legacy computer programs implemented in a variety of programming languages, including MATLAB, Excel, and FORTRAN. Integration of these diverse components is difficult and time-consuming. In order to hide this complexity, each modeling component is wrapped as a Web Service, and each component is able to pass analysis parameterizations, such as reflectance or radiance spectra, on to the next component downstream in the service workflow chain. In this way, the interface to each modeling component becomes uniform and the entire end-to-end workflow can be run using any existing or custom workflow processing engine. The architecture lets users extend workflows as new modeling components become available, chain together the components using any existing or custom workflow processing engine, and distribute them across any Internet-accessible Web Service endpoints. The workflow components can be hosted on any Internet-accessible machine. This has the advantages that the computations can be distributed to make best use of the available computing resources, and each workflow component can be hosted and maintained by their respective domain experts.

Turmon, Michael J.↗

Direct‐Write Printed Contacts to Layered and 2D Materials

Advancements in fabrication methods have shaped new computing device technologies. Among these methods, depositing electrical contacts to the channel material is fundamental to device characterization. Novel layered and 2D materials are promising for next-generation computing electronic channel materials. Direct-write printing of conductive inks is introduced as a surprisingly effective, significantly faster, and cleaner method to contact different classes of layered materials, including graphene (semi-metal), MoS 2 (semiconductor), Bi-2212 (superconductor), and Fe 5 GeTe 2 (metallic ferromagnet). Based on the electrical response, the quality of the printed contacts is comparable to what is achievable with resist-based lithography techniques. These devices are tested by sweeping gate voltage, temperature, and magnetic field to show that the materials remain pristine post-processing. This work demonstrates that direct-write printing is an agile method for prototyping and characterizing the electrical properties of novel layered materials.

2D materials↗

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗

Beamforming P-Band Synthetic Aperture Radar for Planetary Applications

The Space Exploration Synthetic Aperture Radar (SESAR) is an advanced P-band beamforming radar instrument concept to enable a new class of observations suitable to meet multiple Decadal Survey science goals for planetary exploration. The radar is capable of providing unprecedented surface and near subsurface measurements at full polarimetry and fine (meter scale) resolution, and achieves beam agility through programmable waveform generation and digital beamforming. The radar’s highly flexible modular architecture employs a novel low power, lightweight design approach to meet stringent planetary instrument requirements, all while minimizing cost and development time.

Rincon, Rafael F.↗

A review of decametric radio astronomy - Instruments and science

The techniques and instruments used in Galactic and extragalactic radio astronomy at dkm wavelengths are surveyed, and typical results are summarized. Consideration is given to the large specialized phased arrays used for early surveys, the use of wideband elements to increase frequency agility, experimental VLBI observations, and limitations on ground-based observations below about 10 MHz (where the proposed LF Space Array, with resolution 0.5-5 arcmin, could make a major contribution). Observations discussed cover the Galactic center, the Galactic background radiation, SNRs, compact Galactic sources, the ISM, and large extragalactic sources.

Erickson, W. C.↗

Testbeds for test Readiness: Strategic Snapshot

Test bed engineering, monitoring for underground explosive and nuclear testing will be needed if the United States returns to a test posture of nuclear device testing. To maintain and rebuild the capability of test readiness, agile cost-effective test beds are needed and LANL as well as NNSS are the perfect locations to do this. Shallow and deep boreholes should be created to research containment science, diagnostic placement and optimization, coupling and emplacement science, tracer use for fracture and cratering research, and validation of test article performance.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Evaluating the performance of a high resolution SLIM IM module integrated with an Agilent 6560 IM-QTOF MS

Integrate a combined Structures of Lossless Ion Manipulations (SLIM) module that incorporates both constant (not time-varying) field (CF) and oscillatory (time-varying) field (OF) IM separation stages into an Agilent 6560 IM-QTOF mass spectrometer system. Once the SLIM module has been integrated into the Agilent system, its performance will be evaluated using a variety of different samples.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗