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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Structure and Behavior of the Ni End-Member Schreibersite Ni 3 P under Compression to 50 GPa

To better understand the potential presence of light element alloys of Fe and Ni in the Earth’s interior, the crystal structure and compressional behavior of the Ni-P binary compound, schreibersite (Ni 3 P), have been investigated using synchrotron X-ray diffraction experiments. Both powder and two single-crystal samples of synthetic Ni 3 P (in different orientations with respect to the loading axis of the diamond anvil cell) were compressed up to approximately 50 GPa at ambient temperature. The compressional data obtained for Ni3P were fitted with a 3rd order Birch–Murnaghan equation of state. All data indicated that the c/a ratio of unit cell parameters remained approximately constant up to about 30 GPa but then increased progressively with pressure, exhibiting a second slight discontinuity at approximately 40 GPa. The changes in unit cell parameters at ~30 GPa and ~40 GPa suggested discontinuous changes in magnetic ordering. Moreover, the threshold of these subtle discontinuities is sensitive to the stress state and orientation of the crystal in the diamond anvil cell. This study is the first report on the compressional behavior of both powder and single-crystal schreibersite at high-pressure (up to 50 GPa). It offers insights into the effects of Ni 3 P components on the compressional behavior of the Earth’s core.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A New Member of the Fast and Furious Family: A Relativistic and Time-variable UV Outflow in a Luminous Quasar

We report the fastest quasar outflow first detected in the ultraviolet, via variable C IV and Si IV absorption at outflow velocities −77,000 km s −1 to at least −90,000 km s −1 , in the radio-quiet quasar SDSS J231854.31+243954.2 (J2318). J2318 is a weak-lined quasar in the rest-frame ultraviolet, but Gemini GNIRS spectroscopy reveals an Hα redshift of z = 2.6781 ± 0.0004. A 20 yr photometric time series shows peak-to-peak variability of 0.5 mag in the g band. The C IV outflow strengthened monotonically over three epochs spanning ∼2.2 rest-frame years. The existence of such a high-velocity outflow implies that models of quasar outflows must be able to either accelerate gas to 0.3c while still preserving C IV and Si IV ions, or enable the formation of C IV and Si IV ions in gas, which has been accelerated to 0.3c. Virial estimates reveal a black-hole mass of 1.65 × 10 9 M ⊙ , which leads to an Eddington luminosity and Eddington ratio of 2.4 × 10 47 erg s −1 and 0.45, respectively. Using very conservative assumptions, the UV-absorbing outflow alone has an estimated mass loss of >0.82 M ⊙ yr −1 and a kinetic luminosity ratio L kin /L bol ≥ 0.75%. The lower limit is just above the threshold usually cited for significant feedback on the host galaxy. Comparison to PDS 456, the only other known quasar with a UV-absorbing outflow at 0.3c, suggests that the true $\dot{M}$ and Lkin/Lbol could be up to 2 orders of magnitude larger.

Seaton, Lucas M. [York University] (ORCID:00090006↗
DOE OSTI2022

A New Member of the Milky Way’s Family Tree: Characterizing the Pontus Merger of Our Galaxy

We study the Pontus structure—a recently discovered merger that brought in ~7 globular clusters in the course of the hierarchical buildup of the Milky Way’s halo. Here, we analyze the stellar population of Pontus and examine (1) its phase-space distribution using the ESA/Gaia data set, (2) its metallicity and chemical abundances (i.e., [Fe/H], [ α /Fe], [Mg/Fe], and [Al/Fe]) using the spectroscopic catalog of APOGEE DR17, and (3) the color–magnitude diagram that shows interesting features, including a possibly double horizontal branch and a small population of blue stragglers. In sum, the Pontus stars show some unique properties that suggest they likely originated from the merging of an independent satellite galaxy; however, future analysis will shed more light on the true nature of this structure. This chemodynamical analysis of Pontus stars is another step forward in our bigger quest to characterize all the merging events of our Milky Way.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Burst resistant thin wall heat sink

An method for forming a cooling apparatus for cooling an electronic component. The apparatus has a planar top member of a thermal energy conductive material and a parallel planar bottom member of the material, the planar bottom member including a surface having regions configured for heat exchange contact with the electronic component. The planar top member has a plurality of stamped indent formations at a plurality of locations, each indent formation providing a contact surface such that the planar top member is affixed to the bottom member by braze or solder at each contact surface. Alternatively, the planar bottom member also has a plurality of stamped indent formations in alignment with indent formations of the top member. The planar top member is affixed to the bottom member by brazing or soldering each respective contact surface of an indent formation of the planar top member to an opposing contact surface of a corresponding indent formation of the parallel planar bottom member.

Coteus, Paul W.↗
DOE OSTI2020

IHS-60 Stored Energy Analysis

The IHS-60 consists of a General Purpose Heat Source (GPHS) Fueled Clad (FC) that has been hot isostatically pressed to eliminate the gap between the iridium clad and the fuel pellet, thus preventing differential motion between the pellet and the clad in shock and vibration environments. The vented FC is enclosed within a Molybdenum barrier comprising the liner body and the lower support member. The slip- t Molybdenum liner members serve as a mechanical barrier to plutonia contact of the tantalum alloy (T-111) strength member in the event the iridium clad should fail. The slip- t liner is not a barrier to gaseous transport, so a tantalum getter is installed near the vent region of the FC to preclude potential oxygen transport to the T-111 interior surface. The T-111 strength member encloses the Molybdenum liner assembly and provides for both helium gas retention and isotope fuel containment under impact and external pressure environments. It is surrounded by an outer clad of Hastelloy-S which protects the strength member from external oxidation and corrosive sources during nominal operation and in the event of off-nominal operation or accidents. Both the strength member and outer clad parts are closed with seal welds. The strength member and outer clad are the primary containment members of the 60-Watt IHS. The iridium clad contains the fuel pellet during nominal operation and mild accident environments, but it is not considered to be a primary containment member.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Removal of primary nutrient degraders reduces growth of soil microbial communities with genomic redundancy

Understanding how microorganisms within a soil community interact to support collective respiration and growth remains challenging. Here, we used a model substrate, chitin, and a synthetic Model Soil Consortium (MSC-2) to investigate how individual members of a microbial community contribute to decomposition and community growth. While MSC-2 can grow using chitin as the sole carbon source, we do not yet know how the growth kinetics or final biomass yields of MSC-2 vary when certain chitin degraders, or other important members, are absent. To characterize specific roles within this synthetic community, we carried out experiments leaving out members of MSC-2 and measuring biomass yields and CO 2 production. We chose two members to iteratively leave out (referred to by genus name): Streptomyces, as it is predicted via gene expression analysis to be a major chitin degrader in the community, and Rhodococcus as it is predicted via species co-abundance analysis to interact with several other members. Our results showed that when MSC-2 lacked Streptomyces, growth and respiration of the community was severely reduced. Removal of either Streptomyces or Rhodococcus led to major changes in abundance for several other species, pointing to a comprehensive shifting of the microbial community when important members are removed, as well as alterations in the metabolic profile, especially when Streptomyces was lacking. These results show that when keystone, chitin degrading members are removed, other members, even those with the potential to degrade chitin, do not fill the same metabolic niche to promote community growth. In addition, highly connected members may be removed with similar or even increased levels of growth and respiration. Our findings are critical to a better understanding of soil microbiology, specifically in how communities maintain activity when biotic or abiotic factors lead to changes in biodiversity in soil systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

WIYN Open Cluster Study LXXIX. M48 (NGC 2548) I. Radial Velocities, Rotational Velocities, and Metallicities of Stars in the Open Cluster M48 (NGC 2548)

WIYN/Hydra spectra (R ∼ 13,500, signal-to-noise pixel{sup −1} = 50–1000) of a 400 Å region around Li 6708 Å are used to determine radial and rotational velocities for 287 photometrically selected candidate members of the open cluster M48. The sample ranges from turnoff A stars to late-K dwarfs and eight giants. We combine our V {sub RAD} measurements and power spectrum analysis with parallax and proper motion data from Gaia DR2 to evaluate membership and multiplicity. We classify 152 stars as single cluster members, 11 as binary members, 16 as members of uncertain multiplicity, 56 as single nonmembers, 28 as single “likely” nonmembers, two as single “likely” members, one as a binary “likely” member, five as binary nonmembers, 10 as “likely” members of uncertain multiplicity, three as nonmembers of uncertain multiplicity, and three as “likely” nonmembers of uncertain multiplicity. From a subsample of 95 single members, we derive V {sub RAD} = 8.512 ± 0.087 km s{sup −1} (σ {sub μ}, and σ = 0.848 km s{sup −1}). Using 16 isolated Fe I lines for a subsample of 99 single members (that have σ{sub T{sub e{sub f{sub f}}}}<75 K (from 10 colors from UBVRI), v sin i < 25 km s{sup −1}, and well-behaved Fe I lines), [Fe/H]{sub M48} = −0.063 ± 0.007 dex (σ {sub μ}). [Fe/H] is independent of T {sub eff} over an unprecedentedly large range of 2500 K. The minimum cluster binary fraction is 11%–21%. M48 exhibits a clear but modest broadening of the main-sequence turnoff, and there is no correlation between color and v sin i.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

DISCo-microbe: design of an identifiable synthetic community of microbes

Microbiomes are extremely important for their host organisms, providing many vital functions and extending their hosts’ phenotypes. Natural studies of host-associated microbiomes can be difficult to interpret due to the high complexity of microbial communities, which hinders our ability to track and identify individual members along with the many factors that structure or perturb those communities. For this reason, researchers have turned to synthetic or constructed communities in which the identities of all members are known. However, due to the lack of tracking methods and the difficulty of creating a more diverse and identifiable community that can be distinguished through next-generation sequencing, most such in vivo studies have used only a few strains. To address this issue, we developed DISCo-microbe, a program for the design of an identifiable synthetic community of microbes for use in in vivo experimentation. The program is composed of two modules; (1) create, which allows the user to generate a highly diverse community list from an input DNA sequence alignment using a custom nucleotide distance algorithm, and (2) subsample, which subsamples the community list to either represent a number of grouping variables, including taxonomic proportions, or to reach a user-specified maximum number of community members. As an example, we demonstrate the generation of a synthetic microbial community that can be distinguished through amplicon sequencing. The synthetic microbial community in this example consisted of 2,122 members from a starting DNA sequence alignment of 10,000 16S rRNA sequences from the Ribosomal Database Project. We generated simulated Illumina sequencing data from the constructed community and demonstrate that DISCo-microbe is capable of designing diverse communities with members distinguishable by amplicon sequencing. Using the simulated data we were able to recover sequences from between 97–100% of community members using two different post-processing workflows. Furthermore, 97–99% of sequences were assigned to a community member with zero sequences being misidentified. We then subsampled the community list using taxonomic proportions to mimic a natural plant host–associated microbiome, ultimately yielding a diverse community of 784 members. DISCo-microbe can create a highly diverse community list of microbes that can be distinguished through 16S rRNA gene sequencing, and has the ability to subsample (i.e., design) the community for the desired number of members and taxonomic proportions. Although developed for bacteria, the program allows for any alignment input from any taxonomic group, making it broadly applicable. The software and data are freely available from GitHub and Python Package Index (PYPI).

16S rRNA↗
DOE OSTI2020

Aiming system

An aiming system including a first member securable to a device having a point source, a second member selectably rotatable about a first axis relative to the first member, a third member selectably rotatable about a second axis oriented non-parallel to the first axis, and an aiming member having a third axis. The aiming system including the aiming member connected to the third member. A selectable rotation about each of the first axis and the second axis can be independently performed. During the selectable rotation about each of the first axis and the second axis with the aiming member in a first position, the point source, a point on the first axis, a point on the second axis, a point on the third axis are maintained mutually coincident with each other.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

AI-Based Protein Interaction Screening and Identification (AISID)

In this study, we presented an AISID method extending AlphaFold-Multimer’s success in structure prediction towards identifying specific protein interactions with an optimized AISIDscore. The method was tested to identify the binding proteins in 18 human TNFSF (Tumor Necrosis Factor superfamily) members for each of 27 human TNFRSF (TNF receptor superfamily) members. For each TNFRSF member, we ranked the AISIDscore among the 18 TNFSF members. The correct pairing resulted in the highest AISIDscore for 13 out of 24 TNFRSF members which have known interactions with TNFSF members. Out of the 33 correct pairing between TNFSF and TNFRSF members, 28 pairs could be found in the top five (including 25 pairs in the top three) seats in the AISIDscore ranking. Surprisingly, the specific interactions between TNFSF10 (TNF-related apoptosis-inducing ligand, TRAIL) and its decoy receptors DcR1 and DcR2 gave the highest AISIDscore in the list, while the structures of DcR1 and DcR2 are unknown. The data strongly suggests that AlphaFold-Multimer might be a useful computational screening tool to find novel specific protein bindings. This AISID method may have broad applications in protein biochemistry, extending the application of AlphaFold far beyond structure predictions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Refining the Census of the Upper Scorpius Association with Gaia

We have refined the census of stars and brown dwarfs in the Upper Sco association (∼10 Myr, ∼145 pc) by (1) updating the selection of candidate members from our previous survey to include the high-precision astrometry from the second data release of Gaia, (2) obtaining spectra of a few hundred candidate members to measure their spectral types and verify their youth, and (3) assessing the membership (largely with Gaia astrometry) of 2020 stars toward Upper Sco that show evidence of youth in this work and previous studies. We arrive at a catalog of 1761 objects that are adopted as members of Upper Sco. The distribution of spectral types among the adopted members is similar to those in other nearby star-forming regions, indicating a similar initial mass function. In previous studies, we have compiled mid-infrared photometry from the Wide-field Infrared Survey Explorer and the Spitzer Space Telescope for members of Upper Sco and used those data to identify the stars that show evidence of circumstellar disks; we present the same analysis for our new catalog of members. As in earlier work, we find that the fraction of members with disks increases with lower stellar masses, ranging from ≲10% for >1 M {sub ⊙} to ∼22% for 0.01–0.3 M {sub ⊙}. Finally, we have estimated the relative ages of Upper Sco and other young associations using their sequences of low-mass stars in M{sub G{sub R{sub P}}} versus G {sub BP} − G {sub RP}. This comparison indicates that Upper Sco is a factor of two younger than the β Pic association (21–24 Myr) according to both nonmagnetic and magnetic evolutionary models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Stellar Metallicities from DECam $u$-band Photometry: A Study of Milky Way Ultra-Faint Dwarf Galaxies

We conducted an in-depth analysis of candidate member stars located in the peripheries of three ultra-faint dwarf (UFD) galaxy satellites of the Milky Way: Boötes I (Boo1), Boötes II (Boo2), and Segue I (Seg1). Studying these peripheral stars has previously been difficult due to contamination from the Milky Way foreground. We used $u$-band photometry from the Dark Energy Camera (DECam) to derive metallicities to efficiently select UFD candidate member stars. This approach was validated on Boo1, where we identified both previously known and new candidate member stars beyond five half-light radii. We then applied a similar procedure to Boo2 and Seg1. Our findings hinted at evidence for tidal features in Boo1 and Seg1, with Boo1 having an elongation consistent with its proper motion and Seg1 showing some distant candidate stars, a few of which are along its elongation and proper motion. We find two Boo2 stars at large distances consistent with being candidate member stars. Using a foreground contamination rate derived from the \emph{Besan\c{c}on} Galaxy model, we ascribed purity estimates to each candidate member star. We recommend further spectroscopic studies on the newly identified high-purity members. Our technique offers promise for future endeavors to detect candidate member stars at large radii in other systems, leveraging metallicity-sensitive filters with the Legacy Survey of Space and Time and the new, narrow-band Ca HK filter on DECam.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Extreme metrics from large ensembles: investigating the effects of ensemble size on their estimates

Abstract. We consider the problem of estimating the ensemble sizes required to characterize the forced component and the internal variability of a number of extreme metrics. While we exploit existing large ensembles, our perspective is that of a modeling center wanting to estimate a priori such sizes on the basis of an existing small ensemble (we assume the availability of only five members here). We therefore ask if such a small-size ensemble is sufficient to estimate accurately the population variance (i.e., the ensemble internal variability) and then apply a well-established formula that quantifies the expected error in the estimation of the population mean (i.e., the forced component) as a function of the sample size n, here taken to mean the ensemble size. We find that indeed we can anticipate errors in the estimation of the forced component for temperature and precipitation extremes as a function of n by plugging into the formula an estimate of the population variance derived on the basis of five members. For a range of spatial and temporal scales, forcing levels (we use simulations under Representative Concentration Pathway 8.5) and two models considered here as our proof of concept, it appears that an ensemble size of 20 or 25 members can provide estimates of the forced component for the extreme metrics considered that remain within small absolute and percentage errors. Additional members beyond 20 or 25 add only marginal precision to the estimate, and this remains true when statistical inference through extreme value analysis is used. We then ask about the ensemble size required to estimate the ensemble variance (a measure of internal variability) along the length of the simulation and – importantly – about the ensemble size required to detect significant changes in such variance along the simulation with increased external forcings. Using the F test, we find that estimates on the basis of only 5 or 10 ensemble members accurately represent the full ensemble variance even when the analysis is conducted at the grid-point scale. The detection of changes in the variance when comparing different times along the simulation, especially for the precipitation-based metrics, requires larger sizes but not larger than 15 or 20 members. While we recognize that there will always exist applications and metric definitions requiring larger statistical power and therefore ensemble sizes, our results suggest that for a wide range of analysis targets and scales an effective estimate of both forced component and internal variability can be achieved with sizes below 30 members. This invites consideration of the possibility of exploring additional sources of uncertainty, such as physics parameter settings, when designing ensemble simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Optical fiber based sensing for smart electrical cables and distributed radiation detection

A cable device includes a sheath member, a number of electrical cables provided within the sheath member, and an optical fiber sensing member provided within the sheath member. The optical fiber sensing member includes a functionalized optical fiber based sensor device structured to exhibit a change in one or more optical properties in response to changes in a parameter of interest. Also, a method of sensing radiation includes introducing a source light into an optical fiber sensing member provided within a structure, wherein the optical fiber sensing member comprises a functionalized optical fiber based sensor device structured to exhibit a change in one or more optical properties in response to radiation, detecting sensing light generated in response to the source light, and determining a radiation level at a plurality of locations within the structure using the detected sensing light and a distributed sensing scheme.

Chen, Peng Kevin↗
DOE OSTI2021

Turbomachine component with coating-capturing feature for thermal insulation

The disclosure relates to turbomachine components which include one or more coating-capturing features for thermal insulation. A turbomachine component may include: a body having an exterior surface positioned within a hot gas path (HGP) section of a turbomachine; and a coating-capturing feature mounted on the exterior surface of the body and in thermal communication with the HGP section of the turbomachine, wherein the coating-capturing feature comprises: a first member positioned on the exterior surface of the body, the first member having at least one outer sidewall defining a first perimeter of the coating-capturing feature, a second member positioned on the first member and having at least one outer sidewall defining a second perimeter of the coating-capturing feature, wherein the first member separates the second member from the exterior surface of the body, and an indentation positioned between the first and second members.

Berry, Jonathan Dwight↗
DOE OSTI2020

Formation of phenanthrenyl radicals via the reaction of acenaphthyl with acetylene

Ab initio G3(MP2,CC)/B3LYP/6–31G** calculations of the potential energy surface for the reaction of 3-acenaphthyl radical with acetylene were combined with Rice-Ramsperger-Kassel-Marcus Master Equation calculations of the temperature- and pressure-dependent reaction rate constants and product branching ratios with the goal to examine the transformation of an edge five-membered ring into a six-membered one. The reaction mechanism has been shown to contain two stages: (1) the formation of 3-ethynylacenaphthylene + H in the 3-acenaphthyl + C 2 H 2 reaction via acetylene addition to the radical site and an H loss, (2) the formation of the 1-phenanthrenyl radical in the 3-ethynylacenaphthylene + H reaction via H addition to the five-membered ring followed by the ring flip. The results of kinetic modeling show this pathway being faster than the pathway proposed earlier featuring the CCH chemisorption on the six-membered ring without involvement of the five-membered ring. A kinetic test demonstrated the dominance of the former pathway for the formation of pyrene from naphthalene. Here, it is expected that the new mechanism plays a major role in the transformation of five-membered rings on edges of PAH structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Elucidating the Impact of Cis – Trans Organic Structure Directing Agent Isomer Ratios on the Aluminum Distribution Within SSZ-39

Despite their widespread use, the mechanisms governing the synthesis of zeolite catalysts are still poorly understood. A notable example of this problem is the uncertainty surrounding the influence of synthesis conditions on the placement of Al atoms in the zeolite framework which determines the active sites available for catalytic species. In this work, the role of the cis to trans isomer ratio of the OSDA N,N-dimethyl-3-5-dimethylpiperidinium on the energetics of 26 distinct Al pair distributions in SSZ-39 is examined both in the presence and absence of Na using density functional theory calculations. The initial orientation of the OSDA was found to have a significant impact on the final energies present, necessitating the screening of a large number of initial orientations with force field calculations and single point DFT calculations. Ground state energies were found to vary significantly with the ratio of cis to trans OSDAs with a Boltzmann distribution revealing the most likely Al pair distributions shift from sharing the same 8 membered rings to sharing the same double six membered rings to having no shared subunits as one increases the amount of cis OSDA present within the framework. The presence of Na was found to favor Al pair distributions where both Als occupied the same 6-membered ring. When an implicit solvent model was used to evaluate ground state energies the ideal Na sites shifted from 6-membered rings to empty SSZ-39 cages while OSDA positions and orientations remained largely the same. To provide insight on how kinetic factors may influence Al distributions, formation energies we calculated for connected double six membered rings. Further, these formation energies revealed a preference for Al pairs to occupy the same 4-membered ring which indicates kinetic and thermodynamic control may lead to different Al distributions in SSZ-39.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗