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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Understanding Isomeric Effects on Properties of Aviation Fuels via a Group Contribution Method: Preprint

The molecular composition of aviation fuels, including conventional and sustainable aviation fuels (SAFs), significantly influences their performance, safety, and environmental impact. This study examines the effect of isomeric variation for compounds with the same carbon number and chemical family on key fuel properties, focusing on compounds commonly found in conventional jet fuels and SAFs. A group contribution method (GCM) is employed to predict thermophysical and combustion properties, providing an efficient analytical approach to evaluate the contributions of individual compounds to overall fuel mixture behavior. As part of this work, we introduce FuelLib, an open-source Python tool built around the GCM, to calculate individual compound and fuel mixture properties using various mixing rules. Our work evaluates whether the GCM can capture isomeric effects, that are often overlooked in traditional fuel property estimation. This is particularly important for SAFs, which often are composed of a more limited set of compound classes than conventional fuels, making isomeric differences more critical. Two-dimensional gas chromatography (GCxGC) data, which can be obtained from small fuel samples, provides weight percentages of compounds grouped by chemical family and carbon number rather than detailed information about individual compounds. As a result, assumptions must be made when decomposing GCxGC data into functional groups for GCM applications. Using GCxGC data, we show that the FuelLib tool can be used to predict the fuel properties of conventional jet fuels, with validation against experimental data. The provided tool enables researchers to predict fuel properties of candidate fuels and supports the design of new SAFs at both the component and mixture levels. This capability provides a foundation for studying fuel and combustion properties during SAF development, reducing reliance on costly experimental methods and advancing progress toward certification of new SAFs.The molecular composition of aviation fuels, including conventional and sustainable aviation fuels (SAFs), significantly influences their performance, safety, and environmental impact. This study examines the effect of isomeric variation for compounds with the same carbon number and chemical family on key fuel properties, focusing on compounds commonly found in conventional jet fuels and SAFs. A group contribution method (GCM) is employed to predict thermophysical and combustion properties, providing an efficient analytical approach to evaluate the contributions of individual compounds to overall fuel mixture behavior. As part of this work, we introduce FuelLib, an open-source Python tool built around the GCM, to calculate individual compound and fuel mixture properties using various mixing rules. Our work evaluates whether the GCM can capture isomeric effects, that are often overlooked in traditional fuel property estimation. This is particularly important for SAFs, which often are composed of a more limited set of compound classes than conventional fuels, making isomeric differences more critical. Two-dimensional gas chromatography (GCxGC) data, which can be obtained from small fuel samples, provides weight percentages of compounds grouped by chemical family and carbon number rather than detailed information about individual compounds. As a result, assumptions must be made when decomposing GCxGC data into functional groups for GCM applications. Using GCxGC data, we show that the FuelLib tool can be used to predict the fuel properties of conventional jet fuels, with validation against experimental data. The provided tool enables researchers to predict fuel properties of candidate fuels and supports the design of new SAFs at both the component and mixture levels. This capability provides a foundation for studying fuel and combustion properties during SAF development, reducing reliance on costly experimental methods and advancing progress toward certification of new SAFs.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Selective Electrochemical End‐Group Removal Enhances Polymer Thermal Stability

Here we introduce an electrochemical strategy for the selective and quantitative removal of thiocarbonylthio end groups from polymers prepared by reversible addition–fragmentation chain transfer (RAFT) or photoiniferter polymerization. Our results indicate that applying a cathodic potential in an undivided cell promotes reductive cleavage of the thiocarbonylthio moiety, generating terminal polymer radicals that are efficiently capped with hydrogen atoms in the presence of benign donors. This transformation proceeds cleanly across diverse polymer backbones and end-group chemistries, including trithiocarbonates and dithiobenzoates, without chain coupling or degradation. Moreover, the applied potential can be tuned to enable chemoselective end-group removal in mixed-polymer systems, a level of control inaccessible by thermal, photochemical, or nucleophilic strategies. Beyond delivering colorless and optically transparent materials, electrochemical end-group removal significantly enhances polymer stability. Poly(methyl methacrylate) subjected to electrochemical end-group removal exhibited a T 95 of 342 °C, exceeding the stabilities of analogous polymers with end groups removed by aminolysis (T 95 = 260 °C) or radical-based methods (T 95 = 299 °C). These findings demonstrate redox-directed post-polymerization modification as a tool for designing robust, transparent, and thermally stable macromolecules and establish electrochemistry as a platform strategy in polymer synthesis and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Critical role of oxide anchoring groups in organic electron transport layers for perovskite solar cell stability

Charge transport layers (CTLs) play a critical role in the performance and long-term stability of perovskite solar cells (PSCs) by facilitating efficient charge extraction and providing interfacial stabilization. For organic CTLs, different functional groups have been designed to modulate the interactions with the substrate. Anchoring groups are used to establish strong adhesion to transparent conductive oxides (TCOs) but are not routinely incorporated in organic CTL design. In this study, we investigate the influence of anchoring groups in organic electron transport layers (ETLs) on PSC performance and stability by synthesizing and evaluating two naphthalene diimide (NDI)-based ETLs: NDI-(PhPA) 2 , functionalized with polar phenyl phosphonic acid (PhPA) groups, and NDI-(PhBr) 2 , modified with nonpolar bromophenyl (PhBr) groups. X-ray photoelectron spectroscopy confirms that PhPA functionalization leads to NDIs anchored onto fluorine-doped tin oxide (FTO) following chemical bath deposition, while NDI-(PhBr) 2 shows no detectable surface presence after deposition. We show that NDI-(PhPA) 2 deposits as a thin film on FTO, exhibiting strong adhesion, high solvent resistance, and enhanced light and thermal stability, achieving a maximum device efficiency of 14.3%. Stability assessments conducted under continuous illumination at 25 °C for 200 hours and at 65 °C for 100 hours demonstrate performance on par with TiO 2 -based ETLs. In contrast, NDI-(PhBr) 2 , which lacks strong anchoring interactions, fails to adhere to the FTO surface, resulting in a rapid decrease in efficiency over a few hours, comparable to devices without an ETL. These findings highlight the importance of anchoring groups in organic CTLs for achieving long-term PSC stability under operational conditions.

Kim, Sanggyun [Georgia Institute of Technology, At↗
DOE OSTI2026

Delayed Neutron Precursor Group Parameter and Spectra Generation from Fast Fission of 235U in SCALE

Delayed neutron precursor (DNP) group data are important for modeling reactor dynamics. Although the data for individual DNPs have been developed over time, the DNP group data present in the Evaluated Nuclear Data Files (ENDF) have not been updated in the past 20 years. In this work, we use SCALE to recreate the Godiva experiment that was used to generate the original DNP group structure for fast fission of 235U. However, each DNP is modeled using up-to-date data, and the results are then converted into a newly updated group structure. This conversion uses an iterative linear least squares solver to minimize chi-squared. The approaches used in this work also enable energy spectrum generation and uncertainty tracking. The method used in this paper for fast 235U fission DNP group structure updating can be applied to different energies and fissile nuclides. Demonstration of the uncertainty tracking in reactor kinetics and dynamics simulations is shown using point reactor kinetics simulations. Results show that there are data discrepancies between the International Atomic Energy Agency database and data used in ORIGEN, which are currently being fixed. Results also show that the proposed method for group spectra generation performs well.

Seifert, Luke [University of Illinois]↗
NASA NTRS1975

Redshift differences of galaxies in nearby groups

It is reported that galaxies in nearby groups exhibit anomalous nonvelocity redshifts. In this discussion, (1) four classes of nearby groups of galacies are analyzed, and no significant nonvelocity redshift effect is found; and (2) it is pointed out that transverse velocities (i.e., velocities transverse to the line of sight of the main galaxy, or center of mass) contribute components to the redshift measurements of companion galaxies. The redshifts of galaxies in nearby groups of appreciable angular size are considerably affected by these velocity projection effects. The transverse velocity contributions average out in rich, isotropic groups, and also in large samples of irregular groups of low membership, as in the four classes referred to in (1), but can introduce apparent discrepancies in small samples (as studied by Arp) of nearby groups of low membership.

Harrison, E. R.↗
NASA NTRS1977

The reality of comet groups and pairs

Although the common genetic origin of the Kreutz family of sun-grazing comets has generally been accepted, there remains uncertainty with regard to genetic identity among other groups of comets whose orbital elements are nearly alike. Porter (1952) has listed a number of such groups, and Opik (1971) has made a statistical study of the orbits of 472 comets with aphelion distances beyond Saturn. Opik lists 97 groups that show similarities among their three angular elements, calculates an overall probability of some 10 to the -39th power that these similarities could have occurred by chance, and thus concludes that 60% or more of such comets fall into genetic groups containing from two to seven members. This paper explores the statistical reality of Opik's groups utilizing the Monte Carlo method of statistics as well as ordinary probability theory. The conclusion is reached that except for a few pairs, the similarity among orbital elements within the groups is no greater than random expectation.

Whipple, F. L.↗
NASA NTRS1983

Survey of chondrule average properties in H-, L-, and LL-group chondrites - Are chondrules the same in all unequilibrated ordinary chondrites?

The petrogenetic properties of chondrules in different unequilibrated ordinary chondrites (UOCs) are compared to averaged chondrule-suite values obtained from recent analyses of several H-group, L-group, and LL-group chondrites. The purpose of the study was to develop a data base for future statistical analyses of chondrite characteristics. Mean end-member compositions of olivine (mol percent Fa) and pyroxene (mol percent Fs) were used as indices of the relative degree of 'equilibration' of each chondrule suite. It is found that the bulk chondrule geometric-mean abundances of Na, Mg, and Ni are the same from one UOC to another, and show no major systematic trends related to the H-group, L-group, of LL-group parentage of the host chondrites. The patterns of rare-earth element abundances in the chondrules are also examined, and the results are compared with statistical analyses. It is concluded that multivariate statistical analysis of pooled UOC chondrule data is justified for chondrule bulk compositions, as long as the statistical results are not misinterpreted as the primary petrogenetic features of chondrules.

Gooding, J. L.↗
NASA NTRS1986

The stratigraphy of the Steep Rock Group, N.W. Ontario, with evidence of a major unconformity

The Steep Rock Group is exposed 6 km north of Atikokan, 200 km west of Thunder Bay. It is situated on the southern margin of the Wabigoon Belt of the Archaean Superior Province, N. W. Ontario. Reinvestigation of the geology of the Group has shown that the Group lies unconformably on the Tonalite Complex to the east. This unconformity has been previously suspected, from regional and ine mapping but no conclusive outcrop evidence for its existence has as yet been published. The strike of the group, comprised of Basal Conglomerate, Carbonate Member, Ore Zone and Ashrock is generally north-northwest dipping steeply to the southwest. Of the 7 contacts between the Steep Rock Group and the Tonalite Complex, 3 expose the unconformity (The Headland, S. Roberts Pit, Trueman Point), and 4 are faulted. These three outcrops demonstrate unequivocally that the Steep Rock group was laid down unconformably on the underlying Tonalite Complex, which is circa 3 Ga old.

Wilks, M. E.↗
NASA NTRS1988

Morphology of galaxies in compact groups

Results of a study of galaxy morphology in a homogeneous sample of 98 compact groups of galaxies are reported. Of all the galaxies, 49 percent are of late morphological type (S + Irr), somewhat less than the corresponding fraction for field galaxies. Similarly, for first-ranked galaxies only, 48 percent are late type. Several strong correlations are found between galaxy type and the galaxy environment. Morphological concordance occurs between galaxies within a group. Galaxy morphological type correlates with group optical luminosity, and galaxy morphology correlates with velocity dispersion. The latter correlation is found to be the more fundamental of the two. No strong correlation between morphological type and galaxy space density is found in these compact groups, contrary to the situation in rich clusters and loose groups. These results indicate that the morphological types of galaxies in compact groups are strongly influenced by the environment, and that this influence occurs mostly at the time of galaxy formation.

Hickson, Paul↗
NASA NTRS1989

Groups of galaxies in the Center for Astrophysics redshift survey

By applying the Huchra and Geller (1982) objective group identification algorithm to the Center for Astrophysics' redshift survey, a catalog of 128 groups with three or more members is extracted, and 92 of these are used as a statistical sample. A comparison of the distribution of group centers with the distribution of all galaxies in the survey indicates qualitatively that groups trace the large-scale structure of the region. The physical properties of groups may be related to the details of large-scale structure, and it is concluded that differences among group catalogs may be due to the properties of large-scale structures and their location relative to the survey limits.

Ramella, Massimo↗
NASA NTRS1990

Blue ellipticals in compact groups

By studying galaxies in compact groups, the authors examine the hypothesis that mergers of spiral galaxies make elliptical galaxies. The authors combine dynamical models of the merger-rich compact group environment with stellar evolution models and predict that roughly 15 percent of compact group ellipticals should be 0.15 mag bluer in B - R color than normal ellipticals. The published colors of these galaxies suggest the existence of this predicted blue population, but a normal distribution with large random errors can not be ruled out based on these data alone. However, the authors have new ultraviolet blue visual data which confirm the blue color of the two ellipticals with blue B - R colors for which they have their own colors. This confirmation of a population of blue ellipticals indicates that interactions are occurring in compact groups, but a blue color in one index alone does not require that these ellipticals are recent products of the merger of two spirals. The authors demonstrate how optical spectroscopy in the blue may distinguish between a true spiral + spiral merger and the swallowing of a gas-rich system by an already formed elliptical. The authors also show that the sum of the luminosity of the galaxies in each group is consistent with the hypothesis that the final stage in the evolution of compact group is an elliptical galaxy.

Zepf, Stephen E.↗
NASA NTRS1992

Dynamical properties of compact groups of galaxies

Radial velocities are presented for 457 galaxies in the 100 Hickson compact groups. More than 84 percent of the galaxies measured have velocities within 1000 km/s of the median velocity in the group. Ninety-two groups have at least three accordant members, and 69 groups have at least four. The radial velocities of these groups range from 1380 to 42,731 km/s with a median of 8889 km/s, corresponding to a median distance of 89/h Mpc. The apparent space density of these systems ranges from 300 to as much as 10 exp 8 sq h/sq Mpc, which exceeds the densities in the centers of rich clusters. The median projected separation between galaxies is 39/h kpc, comparable to the sizes of the galaxies themselves. A significant correlation is found between crossing time and the fraction of gas-rich galaxies in the groups, and a weak anticorrelation is found between crossing time and the luminosity contrast of the first-ranked galaxy.

Hickson, Paul↗
NASA NTRS1994

X-ray and optical properties of groups of galaxies

We have measured 125 redshifts in 31 groups of galaxies observed with Einstein, and have compiled an additional 543 redshifts from the literature. There is a correlation between galaxy surface density and group velocity dispersion, with mu is proportional to sigma(exp 1.6 +/- 0.6), but the scatter about this relation is large. We examine the relationship between the group x-ray luminosity in the 0.3-3.5 keV band and the measured velocity dispersion. Richer groups follow the same relation as rich clusters (1982) with L(sub X) proportional to sigma(exp 4.0 +/- 0.6), but the relation flattens for lower luminosity systems which have velocity dispersions below 300 km/s. We suggest that the L(sub x)-sigma relation arises from a combination of extended cluster emission and emission associated with individual galaxies. The x-ray emission for the richer groups is dominated by emission from the intragroup medium, as for the richer clusters; emission from the poorer clusters is dominated by less extended emission associated with the individual group galaxies.

Dell'antonio, Ian P.↗
NASA NTRS1994

Structural properties of compact groups

We report the results of a systematic study of galaxies in the regions of Hickson compact groups. Our sample is composed of the 22 Hickson groups which are located in the southern hemisphere and have cz less than 9000 km/s. Making use of digitized images of IIIa-J plates that cover an area of 0.5 x 0.5 deg around each group, we were able to detect and classify images down to a magnitude limit of 19.5 in the B band. This limit is typically three magnitudes fainter than previous studies. Most groups show a statistically significant excess of fainter galaxies compared to the background. These fainter galaxies typically have a somewhat more extended spatial distribution than the brighter galaxies originally classified by Hickson. Our data suggest that Hickson groups have a wide range in density and radius, ranging from very compact structures with overdensities of the order of 10(exp 2) and crossing times of roughly 0.01 H(sub 0 sup -1), to much more diffuse structures, similar to loose groups, with overdensities of about 3 and crossing times of roughly 0.5 H(sub 0 sup -1).

De Carvalho, R. R.↗
NASA NTRS1997

Diamines Containing Pendent Phenylethynyl Groups

Controlled molecular weight imide oligomers and co-oligomers containing pendent phenylethynyl groups (PEPIs) and endcapped with nonreactive or phenylethynyl groups have been prepared by the cyclodehydration of the precursor amide acid oligomers or co-oligomers containing pendent phenylethynyl groups and endcapped with nonreactive or phenylethynyl groups. The amine terminated amide acid oligomers or co-oligomers are prepared from the reaction of dianhydride(s) with an excess of diamine(s) and diamine containing pendent phenylethynyl groups and subsequently endcapped with a phenylethynyl phthalic anhydride or monofunctional anhydride. The anhydride terminated amide acid oligomers and co-oligomers are prepared from the reaction of diamine(s) and diamine containing pendent phenylethynyl group(s) with an excess of dianhydride(s) and subsequently endcapped with a phenylethynyl amine or monofunctional amine. The polymerizations are carried out in polar aprotic solvents such as and N,N-dimethylacetamide under nitrogen at room temperature. The amide acid oligomers or co-oligomers are subsequently cyclodehydrated either thermally or chemically to the corresponding imide oligomers. The polymers and copolymers prepared from these materials exhibit a unique and unexpected combination of properties that includes higher glass transition temperatures after curing and higher retention of neat resin, adhesive and carbon fiber reinforced mechanical properties at temperatures up to 204 C under wet conditions without sacrificing melt flow behavior and processability as compared to similar materials. These materials are useful as adhesives, coatings, films, moldings, and composite matrices.

Connell, John W.↗
NASA NTRS2005

Re-187 Os-187 Isotopic and Highly Siderophile Element Systematics of Group IVB Irons

Study of the magmatic iron meteorite groups permits constraints to be placed on the chemical and isotopic composition of parent bodies, and the timing of, and crystal-liquid fractionation processes involved in the crystallization of asteroidal cores. Here we examine Re-Os isotopic and trace elemental systematics of group IVB irons. Compared to most irons, the irons comprising this group are enriched in some of the most refractory siderophile elements, yet highly-depleted in most volatile siderophile elements. These characteristics have been attributed to processes such as high temperature condensation of precursor materials and oxidation in the parent body. Most recently it has been suggested that both processes may be involved in the chemical complexity of the group. Here, high precision isotopic and highly siderophile element (HSE) concentrations are used to further examine these possible origins, and the crystallization history of the group. In addition, we have begun to assess the possibility of relating certain ungrouped irons with major groups via multi-element, trace element modeling. In a companion abstract, the isotopic and trace element systematics of the ungrouped iron Tishomingo are compared with the IVB irons.

Honesto, J.↗
NASA NTRS2014

Observations of Environmental Quenching in Groups in the 11 GYR Since z = 2.5: Different Quenching For Central and Satellite Galaxies

We present direct observational evidence for star formation quenching in galaxy groups in the redshift range 0 less than z less than 2.5. We utilize a large sample of nearly 6000 groups, selected by fixed cumulative number density from three photometric catalogs, to follow the evolving quiescent fractions of central and satellite galaxies over roughly 11 Gyr. At z approximately 0, central galaxies in our sample range in stellar mass from Milky Way/M31 analogs (M=6.5x10(exp 10) M/solar mass) to nearby massive ellipticals (M=1.5x10(exp 11) M/solar mass). Satellite galaxies in the same groups reach masses as low as twice that of the Large Magellanic Cloud (M=6.5x10(exp 9) M/solar mass). Using statistical background subtraction, we measure the average rest-frame colors of galaxies in our groups and calculate the evolving quiescent fractions of centrals and satellites over seven redshift bins. Our analysis shows clear evidence for star formation quenching in group halos, with a different quenching onset for centrals and their satellite galaxies. Using halo mass estimates for our central galaxies, we find that star formation shuts off in centrals when typical halo masses reach between 10(exp 12) and 10(exp 13) M/solar mass, consistent with predictions from the halo quenching model. In contrast, satellite galaxies in the same groups most likely undergo quenching by environmental processes, whose onset is delayed with respect to their central galaxy. Although star formation is suppressed in all galaxies over time, the processes that govern quenching are different for centrals and satellites. While mass plays an important role in determining the star formation activity of central galaxies, quenching in satellite galaxies is dominated by the environment in which they reside.

Environmental↗
NASA NTRS2017

Meteorological Support Interface Control Working Group (MSICWG) Instrumentation, Data Format, and Networks Document

The purpose of this document is to provide an overview of instrumentation discussed at the Meteorological Interface Control Working Group (MSICWG), a reference for data formats currently used by members of the group, a summary of proposed formats for future use by the group, an overview of the data networks of the group's members. This document will be updated as new systems are introduced, old systems are retired, and when the MSICWG community necessitates a change to the formats. The MSICWG consists of personnel from the National Aeronautics and Space Administration (NASA) Kennedy Space Center (KSC), NASA Marshall Space Flight Center (MSFC), NASA Johnson Space Center (JSC), National Oceanic and Atmospheric Administration National Weather Service Spaceflight Meteorology Group (SMG), and the United States Air Force (USAF) 45th Space Wing and Weather Squadron. The purpose of the group is to coordinate the distribution of weather related data to support NASA space launch related activities.

Brenton, James↗