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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 OSTI2019

The Atomic Structure of Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes is Responsible for Their Antibacterial Activity Toward E. coli Bacteria

The expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} MXene phases were synthesized from their parent Ti{sub 2}AlC and Ti{sub 3}AlC{sub 2} MAX phases using the same conditions of the classical acidic aluminum extraction method. The assumption for the study was that the expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes are composed of the same atoms and if are synthesized from MAX phases using the same conditions of the classical acidic aluminum extraction method, the observed bio-effects can be related only to the changes in their structures. The scanning electron microscope investigations indicated that the expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} sheets formed the specific network of slit-shaped nano-pores. The x-ray photoelectron spectroscopy for chemical analysis (ESCA-XPS) showed almost no difference in surface chemistry of Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes. The high-resolution transmission electron microscope investigations revealed, however, differences in atomic structure of the individual Ti{sub 2}C and Ti{sub 3}C{sub 2} sheets. Measured distance between Ti-C atomic layers in Ti{sub 2}C was 9.76 Å and was larger by 0.53 Å in comparison with Ti{sub 3}C{sub 2} (9.23 Å). Our investigations of bioactive properties toward model gram-negative Escherichia coli bacterial strain showed that the Ti{sub 2}C MXene did not influence the viability of bacteria. Contrarily, the Ti{sub 3}C{sub 2} MXene showed antibacterial properties. The results of the study indicate that the structure at the atomic scale may play a key role in the bioactivity of MXenes of the same chemical composition, but different stoichiometry, just like in case of Ti{sub 2}C and Ti{sub 3}C{sub 2}.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transcriptional and translational landscape of Candida auris in response to caspofungin

Candida auris has emerged as a serious worldwide threat by causing opportunistic infections that are frequently resistant to one or more conventional antifungal medications resulting in high mortality rates. Against this backdrop, health warnings around the world have focused efforts on understanding C. auris fungal biology and effective prevention and treatment approaches to combat this fungus. To date, there is little information about the differentially expressed genes when this fungus is treated with conventional antifungals, and caspofungin is a standard echinocandin deployed in the therapy against C. auris. In this work, we treated two distinct strains of C. auris for 24h with caspofungin, and the cellular responses were evaluated at the morphological, translational and transcriptional levels. We first observed that the echinocandin caused morphological alterations, aggregation of yeast cells, and modifications in the cell wall composition of C. auris. Transcriptomic analysis revealed an upregulation of genes related to the synthesis of the cell wall, ribosome, and cell cycle after exposure to caspofungin. Supporting these findings, the integrated proteomic analysis showed that caspofungin-treated cells were enriched in ribosome-related proteins and cell wall, especially mannoproteins. Altogether, these results provide further insights into the biology of C. auris and expands our understanding regarding the antifungal activity of caspofungin and reveal cellular targets, as the mannose metabolism, that can be further explored for the development of novel antifungals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Low-cost calculation and analysis of 2D IR spectra of model diiron trinitrosyl complexes in the NO stretch region with vibrational perturbation theory

Two-dimensional infrared spectroscopy offers unique capabilities for probing vibrational coupling in complex metal–ligand systems. In this paper, we combine two-dimensional infrared spectroscopy with vibrational perturbation theory to investigate vibrational coupling in a diiron trinitrosyl complex across three stable redox states. Although these systems are challenging for electronic structure methods, we demonstrate that key features of experimental 2D IR spectra can be accurately reproduced using reduced-dimensional anharmonic calculations with a small harmonic frequency scaling. Analysis reveals that N–O stretching modes maintain high locality across all redox states, with coupling patterns that directly reflect variations in Fe–N bond strength. Using curvilinear coordinate analysis, we demonstrate these differences result from systematic changes in cubic anharmonic force constants rather than mode delocalization. Our results establish N–O stretches as sensitive probes of metal–ligand bonding strength, expanding the toolkit for studying biologically relevant nitrosyl complexes.

Moran, Hayden A. [Texas A&M University, College St↗
DOE OSTI2021

Forward and backward stimulated Raman scattering in multi-speckled beams: Density dependence and effects on cross-beam energy transfer

Particle-in-cell simulations of cross-beam energy transfer (CBET) between multi-speckled beams reveal a potentially prominent energy loss from forward stimulated Raman scattering (FSRS) in the amplified seed beam [Yin et al., Phys. Plasmas 26, 082708 (2019)]. In this work, an intensity scan is used to examine this energy loss in the CBET-amplified seed beam at intensities of a few times 1014 W/cm2. Electron tracers demonstrate both the trapping in the electron plasma waves that is sustained over multiple speckles and the subsequent acceleration to velocities well beyond the phase velocity. Motivated by expanding our understanding of this energy loss mechanism, we isolate the FSRS density dependence by using a 2×1014 W/cm2 pulse to scan densities between 0.06 ncr and 0.12 ncr; a spectral analysis characterizes the energy losses from scattering with the changing densities. At saturation, both greater beam attenuation is measured at the laser frequency and larger scattering FSRS angles are observed as density increases, along with a rapid transition to primarily backscatter SRS between 0.10 ncr and 0.12 ncr, earlier than predicted by linear theory. Density gradients are shown to effectively mitigate oblique FSRS and beam energy losses in the two lower density cases, whereas 0° forward scattering is primarily suppressed in the higher density cases. Finally returning to the two-beam CBET system of interest, the interplay and mitigation of the secondary instabilities at larger domain and beam spatial scales are discussed, here also examining backward stimulated Brillouin scattering.

Stark, D. J. (ORCID:0000000203642733)↗
DOE OSTI2020

Creation of large temperature anisotropies in a laboratory plasma

Ion temperature anisotropy in an expanding magnetized plasma is investigated using laser induced fluorescence. Parallel and perpendicular ion velocity distribution functions (IVDFs) were measured simultaneously with high spatial resolution in the expanding plasma. Large ion temperature anisotropies (T ⊥i /T ∥i ~ 10) are observed in a conical region at the periphery of the expanding plasma plume. A simple 2D Boris stepper model that incorporates the measured electric field structure is able to reproduce the gross features of the measured perpendicular IVDFs. Here, a Nyquist stability analysis of the measured IVDFs suggests that multiple instabilities with k ⊥ρi ~ 1 and k ||ρi ~ 0.2 are likely to be excited in these plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

The Pixel Anomaly Detection Tool : a user-friendly GUI for classifying detector frames using machine-learning approaches

Data collection at X-ray free electron lasers has particular experimental challenges, such as continuous sample delivery or the use of novel ultrafast high-dynamic-range gain-switching X-ray detectors. This can result in a multitude of data artefacts, which can be detrimental to accurately determining structure-factor amplitudes for serial crystallography or single-particle imaging experiments. Here, a new data-classification tool is reported that offers a variety of machine-learning algorithms to sort data trained either on manual data sorting by the user or by profile fitting the intensity distribution on the detector based on the experiment. This is integrated into an easy-to-use graphical user interface, specifically designed to support the detectors, file formats and software available at most X-ray free electron laser facilities. The highly modular design makes the tool easily expandable to comply with other X-ray sources and detectors, and the supervised learning approach enables even the novice user to sort data containing unwanted artefacts or perform routine data-analysis tasks such as hit finding during an experiment, without needing to write code.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Identification and analysis of the bacterial endosymbiont specialized for production of the chemotherapeutic natural product ET-743

Ecteinascidin 743 (ET-743, Yondelis) is a clinically approved chemotherapeutic natural product isolated from the Caribbean mangrove tunicate Ecteinascidia turbinata . Researchers have long suspected that a microorganism may be the true producer of the anti-cancer drug, but its genome has remained elusive due to our inability to culture the bacterium in the laboratory using standard techniques. Here, we sequenced and assembled the complete genome of the ET-743 producer, Candidatus Endoecteinascidia frumentensis, directly from metagenomic DNA isolated from the tunicate. Analysis of the ~631 kb microbial genome revealed strong evidence of an endosymbiotic lifestyle and extreme genome reduction. Phylogenetic analysis suggested that the producer of the anti-cancer drug is taxonomically distinct from other sequenced microorganisms and could represent a new family of Gammaproteobacteria. The complete genome has also greatly expanded our understanding of ET-743 production and revealed new biosynthetic genes dispersed across more than 173 kb of the small genome. The gene cluster’s architecture and its preservation demonstrate that the drug is likely essential to the interactions of the microorganism with its mangrove tunicate host. In conclusion, taken together, these studies elucidate the lifestyle of a unique, and pharmaceutically-important microorganism and highlight the wide diversity of bacteria capable of making potent natural products.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

CasCollect: Detecting cas genes and CRISPR arrays in raw sequence data v1

This software examines raw Illumina sequence data files for cas genes and CRISPR arrays, either to be used as evidence of genome editing or for basic analysis of bacterial genomes. It translates sequencing reads into peptide sequences, and runs these against sensitive hidden Markov models for numerous Cas protein families. The set of hit read seeds is then expanded leftward and rightward by sequence matching to remaining reads, and after multiple cycles, this small fraction of the original reads is assembled to produce Cas operons. A separate mode using known CRISPR repeat sequences for a genus are used to identify CRISPR arrays that may be in genomic locations that are isolated from Cas genes.SAND2019-11770 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Williams, Kelly↗
DOE OSTI2019

Lagrangian Evolution of the Northeast Pacific Marine Boundary Layer Structure and Cloud during CSET

Flight data from the Cloud System Evolution over the Trades (CSET) campaign over the Pacific stratocumulus-to-cumulus transition are organized into 18 Lagrangian cases suitable for study and future modeling, made possible by the use of a track-and-resample flight strategy. Analysis of these cases shows that 2-day Lagrangian coherence of long-lived species (CO and O 3 ) is high ($r$ = 0.93 and 0.73, respectively), but that of subcloud aerosol, MBL depth, and cloud properties is limited. Although they span a wide range in meteorological conditions, most sampled air masses show a clear transition when considering 2-day changes in cloudiness (−31% averaged over all cases), MBL depth (+560 m), estimated inversion strength (EIS; −2.2 K), and decoupling, agreeing with previous satellite studies and theory. Changes in precipitation and droplet number were less consistent. The aircraft-based analysis is augmented by geostationary satellite retrievals and reanalysis data along Lagrangian trajectories between aircraft sampling times, documenting the evolution of cloud fraction, cloud droplet number concentration, EIS, and MBL depth. An expanded trajectory set spanning the summer of 2015 is used to show that the CSET-sampled air masses were representative of the season, with respect to EIS and cloud fraction. Two Lagrangian case studies attractive for future modeling are presented with aircraft and satellite data. The first features a clear Sc–Cu transition involving MBL deepening and decoupling with decreasing cloud fraction, and the second undergoes a much slower cloud evolution despite a greater initial depth and decoupling state. Finally, potential causes for the differences in evolution are explored, including free-tropospheric humidity, subsidence, surface fluxes, and microphysics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

SDA: a symbolic differential algebra package in C++

Truncated Power Series Algebra (TPSA), or Differential Algebra (DA), is a well-established tool in accelerator physics, commonly used for generating high-order maps of dynamic systems, as well as in symplectic tracking, normal form analysis, verified integration, optimization, and fast multipole methods. This package is the first to perform symbolic DA computations, enabling traceability of initial condition contributions and runtime reduction for repeated DA calculations, potentially expanding DA’s applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Electrical Energy Storage Data Submission Guidelines

Energy storage technologies are positioned to play a substantial role in power delivery systems. They are being touted as an effective new resource to maintain reliability and allow for increased penetration of renewable energy. However, due to their relative infancy, there is a lack of knowledge on how these resources truly operate over time. Data analysis can help ascertain the operational and performance characteristics of these emerging technologies. Rigorous testing and data analysis are important for all stakeholders to ensure a safe, reliable system that performs predictably on a macro level. Standardizing testing and analysis approaches to verifying the performance of energy storage devices, equipment, and systems when integrating them into the grid will improve the understanding and benefit of energy storage over time from technical and economic vantage points. Demonstrating the life-cycle value and capabilities of energy storage systems begins with the data the provider supplies for analysis. After review of energy storage data received from several providers, it has become clear that some of these data are inconsistent and incomplete, raising the question of their efficacy for robust analysis. This report reviews and proposes general guidelines such as sampling rates and data points that providers must supply for robust data analysis to take place. Consistent guidelines are the basis of the proper protocol and ensuing standards to (a) reduce the time it takes data to reach those who are providing analysis; (b) allow them to better understand the energy storage installations; and (c) enable them to provide high-quality analysis of the installations. This report is intended to serve as a starting point for what data points should be provided when monitoring. As battery technologies continue to advance and the industry expands, this report will be updated to remain current.

25 ENERGY STORAGE↗
DOE OSTI2021

Centers for Disease Control and Prevention (CDC) Radiation Hazard Scale (Expanded Data Product Feedback Report)

During radiation emergencies, it is important to communicate clearly as radiation risks are often unfamiliar to many members of the general public and emergency responders, including public health workers. To partially address this issue, the Centers for Disease Control and Prevention (CDC) developed the Radiation Hazard Scale to communicate radiation risk to the general public, community leaders, and decision makers. The simple numeric scale does not require a background in radiation physics or health effects and can be used to assist people in understanding their risk and motivate protective action compliance. Lawrence Livermore National Laboratory has assisted the US Department of Energy National Nuclear Security Administration and the CDC in the development of Radiation Hazard Scale data products. This report documents the feedback received from Federal response officials on an expanded data product set. This expanded set accounts for the effects of building protection on radiation exposure and allows for the comparison between different response actions, including sheltering in place, based on the LLNL developed Regional Shelter Analysis methodology.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Parts, Materials, and Processes Experience Summary

The ALERT program, a system for communicating common problems with parts, materials, and processes, is condensed and catalogued. Expanded information on selected topics is provided by relating the problem area (failure) to the cause, the investigations and findings, the suggestions for avoidance (inspections, screening tests, proper part applications), and failure analysis procedures. The basic objective of ALERT is the avoidance of the recurrence of parts, materials, and processed problems, thus improving the reliability of equipment produced for and used by the government.

Source record↗
NASA NTRS1992

Users manual and modeling improvements for axial turbine design and performance computer code TD2-2

Computer code TD2 computes design point velocity diagrams and performance for multistage, multishaft, cooled or uncooled, axial flow turbines. This streamline analysis code was recently modified to upgrade modeling related to turbine cooling and to the internal loss correlation. These modifications are presented in this report along with descriptions of the code's expanded input and output. This report serves as the users manual for the upgraded code, which is named TD2-2.

Glassman, Arthur J.↗
NASA NTRS1993

Advanced propulsion engine assessment based on a cermet reactor

A preferred Pratt & Whitney conceptual Nuclear Thermal Rocket Engine (NTRE) has been designed based on the fundamental NASA priorities of safety, reliability, cost, and performance. The basic philosophy underlying the design of the XNR2000 is the utilization of the most reliable form of ultrahigh temperature nuclear fuel and development of a core configuration which is optimized for uniform power distribution, operational flexibility, power maneuverability, weight, and robustness. The P&W NTRE system employs a fast spectrum, cermet fueled reactor configured in an expander cycle to ensure maximum operational safety. The cermet fuel form provides retention of fuel and fission products as well as high strength. A high level of confidence is provided by benchmark analysis and independent evaluations.

Parsley, Randy C.↗
NASA NTRS2011

Axisymmetric Implementation for 3D-Based DSMC Codes

The primary objective in developing NASA s DSMC Analysis Code (DAC) was to provide a high fidelity modeling tool for 3D rarefied flows such as vacuum plume impingement and hypersonic re-entry flows [1]. The initial implementation has been expanded over time to offer other capabilities including a novel axisymmetric implementation. Because of the inherently 3D nature of DAC, this axisymmetric implementation uses a 3D Cartesian domain and 3D surfaces. Molecules are moved in all three dimensions but their movements are limited by physical walls to a small wedge centered on the plane of symmetry (Figure 1). Unfortunately, far from the axis of symmetry, the cell size in the direction perpendicular to the plane of symmetry (the Z-direction) may become large compared to the flow mean free path. This frequently results in inaccuracies in these regions of the domain. A new axisymmetric implementation is presented which aims to solve this issue by using Bird s approach for the molecular movement while preserving the 3D nature of the DAC software [2]. First, the computational domain is similar to that previously used such that a wedge must still be used to define the inflow surface and solid walls within the domain. As before molecules are created inside the inflow wedge triangles but they are now rotated back to the symmetry plane. During the move step, molecules are moved in 3D but instead of interacting with the wedge walls, the molecules are rotated back to the plane of symmetry at the end of the move step. This new implementation was tested for multiple flows over axisymmetric shapes, including a sphere, a cone, a double cone and a hollow cylinder. Comparisons to previous DSMC solutions and experiments, when available, are made.

Stewart, Benedicte↗
NASA NTRS2016

Beyond 3-D: The New Spectrum of Lidar Applications for Earth and Ecological Sciences

Capturing and quantifying the world in three dimensions (x,y,z) using light detection and ranging (lidar) technology drives fundamental advances in the Earth and Ecological Sciences (EES). However, additional lidar dimensions offer the possibility to transcend basic 3-D mapping capabilities, including i) the physical time (t) dimension from repeat lidar acquisition and ii) laser return intensity (LRIλ) data dimension based on the brightness of single- or multi-wavelength (λ) laser returns. The additional dimensions thus add to the x,y, and z dimensions to constitute the five dimensions of lidar (x,y,z, t, LRIλ1... λn). This broader spectrum of lidar dimensionality has already revealed new insights across multiple EES topics, and will enable a wide range of new research and applications. Here, we review recent advances based on repeat lidar collections and analysis of LRI data to highlight novel applications of lidar remote sensing beyond 3-D. Our review outlines the potential and current challenges of time and LRI information from lidar sensors to expand the scope of research applications and insights across the full range of EES applications.

Eitel, Jan U. H.↗
NASA NTRSDate not supplied

Human Mars Surface Mission Surface Power Impacts on Timeline and Traverse Capabilities

The National Aeronautics and Aerospace Administration’s (NASA) Mars Architecture Team (MAT) developed a concept for power management operations to support a thirty-day, minimal infrastructure Mars surface mission. The surface elements in this minimal surface mission concept include three landers as platforms for surface operations, a crewed Mars ascent vehicle (MAV), an unpressurized rover, and a pressurized rover where the crew will live for the duration of the thirty-day mission. In this analysis the power system is a ten kilowatt fission power system, which has been selected for its resiliency to dust storms, and will provide power for all aspects of the surface mission including thermal management of propellant and electronic systems, communications, and battery recharge of mobile surface assets. Developing a power management plan with the consideration of the various elements and mission phases helps define the traverse and exploration capabilities for the crew in the pressurized rover. Also, considerations need to be made for the different power requirements for each phase of the surface mission including arrival, offload, surface exploration, launch preparation, and departure. The described analysis aims to achieve a balance of maintaining power to critical systems while enabling desired traverse and exploration range in the pressurized rover. Additionally, a few enhancing technologies were explored that could expand the power capability if the additional capacity is necessary in the future. This study is used as a baseline to understand the constraints on all aspects of the surface mission for a minimal surface infrastructure human Mars campaign if a ten-kilowatt fission surface power system is available on the surface.

Michael B. Chappell↗