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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FuelLib (Fuel Library) [SWR-25-26]

FuelLib is a library that utilizes the group contribution method (GCM) for calculating thermodynamic properties of hydro-carbon jet fuels. FuelLib utilizes the tables and functions of the GCM as proposed by Constantinou and Gani (1994) and Constantinou, Gani and O'Connel (1995), with additional physical properties discussed in Govindaraju & Ihme (2016). The code is based on Pavan B. Govindaraju's Matlab implementation of the GCM, and has been expanded to include additional thermodynamic properties and mixture properties. The fuel library contains gas chromatography (GC x GC) data for a variety of fuels ranging from simple single component fuels to complex jet fuels. The GC x GC data for POSF jet fuels comes from Edwards (2020).

Montgomery, David [National Renewable Energy Labor↗
NASA NTRS1999

Workshop on Extraterrestrial Materials from Cold and Hot Deserts

The workshop was held July 6-8, 1999 before the Meteoritical Society meeting in Johannesburg, South Africa. The venue was Kwa Maritane Resort in the Pilanesburg Game Reserve. Conveners were Ludolf Schultz (Chair, MPI fur Chemie), Ian Franchi (Open University), Arch Reid (University of Houston), and Mike Zolensky (NASA JSC). Extended abstracts will be published as an LPI Technical Report. In the first session, Marvin discussed three African iron meteorites: Cape of Good Hope, Gibeon, and Hoba. Grady presented a statistical analysis of meteorites from hot and cold deserts. Wasson discussed types of Antarctic iron meteorites. Several presentations characterized populations of meteorites from individual desert areas: Libyan Desert (Weber et al.), Nullarbor Region (Bevan et al.), and Mojave Desert (Kring et al. and Verish et al). Pairing among EET87503-group howardites was discussed by Buchanan et al. Based on 14C terrestrial ages of Allan Hills ordinary chondrites, Bland et al. suggested that ice flow may be the principal sink for Antarctic meteorites. The effects of preterrestrial and terrestrial alteration were considered in the second session. Nakamura et al. and Lipschutz discussed asteroidal metamorphism of carbonaceous chondrites. Zolensky presented evidence for preterrestrial halide and sulfide in meteorites. Crozaz and Wadhwa described terrestrial alteration of Dar al Gani 476. Welten and Nishiizumi discussed terrestrial weathering of chondrites from Frontier Mountain, Antarctica. Most of the third session dealt with terrestrial meteorite ages. Based on 14C-10Be ages, Jull et al. discussed the exponential decay in numbers of meteorites with increased age. Nishiizumi et al. concluded that some Allan Hills meteorites have much older terrestrial ages than any meteorites from Lewis Cliffs. Welten et al. discussed terrestrial ages determined by 41Ca/36CI of metal separates from hot desert meteorites. Based on a comparison with large IDPs, Flynn et al. suggested that polar micrometeorites, lost a water-soluble sulfate phase by terrestrial alteration. Nyquist suggested that Type I cosmic spheres from deep sea sediments and polar ice were derived from carbonaceous chondrite-like asteroidal sources. The final session considered noble gases, cosmic ray effects, and thermoluminescence. Calculations presented by Reedy indicate that cosmic ray-produced nuclides are more likely to be preserved in small objects than in larger objects. Murty and Mohapatra. reported that trapped gas in Dar al Gani 476 includes a Martian atmospheric component. Wieler et al. and Scherer et al. reported noble gas abundances in different types of desert meteorites. Patzer and Schultz discussed the influence of terrestrial weathering on cosmic ray exposure ages of enstatite chondrites. Franchi et al. suggested that it is difficult to discriminate whether differences in gas release profiles of lunar meteorites from hot deserts and returned lunar samples are the result of terrestrial weathering or shock metamorphism. Benoit and Sears surveyed natural and induced thermoluminescence of Antarctic ordinary chondrites. Merchel et al. analyzed Saharan meteorites with short or complex exposure histories.

Buchanan, Paul C.↗
NASA NTRS2003

Microfossils in CI and CO Carbonaceous Meteorites

Secondary and backscatter electron images and x-ray spectral data of selected CI (Alais, Orgueil, and Tagish Lake) and CO3 (Rainbow and Dar a1 Gani 749) carbonaceous meteorites have recently been obtained using Field Emission and Environmental Scanning Electron Microscopes These studies indicate the presence of a large assemblage of biomarkers and complex lithified and carbonized remains of bodies that we interpret as indigenous microfossils. We discuss the meteorites, provide images of many of the biogenic forms found embedded in the freshly fractured meteorite surfaces.

Hoover, Richard B.↗
NASA NTRS2007

Rb-Sr and Sm-Nd Isotopic Studies of Martian Depleted Shergottes SaU 094/005

Sayh al Uhaymir (SaU) 094 and SaU 005 are olivine-phyric shergottites from the Oman desert and are considered as pairs. [e.g., 1]. They are very similar to the Libyan desert shergottite Dar al Gani (DaG) 476 in petrology, chemistry and ejection age [2-6]. This group of shergottites, also recognized as depleted shergottites [e.g. 7] has been strongly shocked and contains very low abundances of light rare earth elements (REE). In addition, terrestrial contaminants are commonly present in meteorites found in desert environments. Age-dating these samples is very challenging, but lower calcite contents in the SaU meteorites suggest that they have been subjected to less severe desert weathering than their DaG counterparts [3-4]. In this report, we present Rb-Sr and Sm-Nd isotopic results for SaU 094 and SaU 005, discuss the correlation of their ages with those of other similar shergottites, and discuss their petrogenesis.

Shih, C.-Y.↗
NASA NTRS2001

Highly Siderophile Element Abundances in Martian Meteorites

Critical evaluation of new and literature data for highly siderophile elements (HSE) in Martian (SNC) meteorites allows several first order conclusions to be drawn. (i) Re concentrations in SNC meteorites are nearly constant (within a factor of two) and do not correlate with rock type. Exceptions to this rule are Chassigny and Dar al Gani (DaG) 476, both of which are inferred to have experienced terrestrial Re contamination. (ii) Fractionations between Rh and Pd are small. Excluding Shergotty, the Rh/Pd ratio of the SNC suite is 0.22\pm0.05. (iii) Os and Ir contents vary by about four orders of magnitude; and positive correlations with MgO, Cr, and Ni suggest that these variations are not controlled by sulfide fractionation. A possible exception is the orthopyroxenite ALH84001, whose HSE's (including Ni, which is compatible in opx) are very low. (iv) Zagami, Shergotty, and Nakhla have nearly identical HSE signatures. Shergotty and Zagami have experienced assimilation-fractional crystallization (AFC) and have "crustal" Sr and Nd isotopic signatures. Conversely, the Nakhla parent was a small degree partial melt of a depleted mantle that interacted little with the Martian crust. These observations suggest that "evolved" HSE signatures can be produced by either fractional crystallization or small degrees of partial melting. (v) Chassigny and other mafic SNC's have HSE signatures that are very distinct from those of Nakhla-Zagami-Shergotty. The HSE elemental ratios of mafic SNC's approach chondritic, implying that the Martian mantle has nearly chondritic relative abundances of the HSE's. (vi) This chondritic HSE signature is observed in SNC's of various ages, suggesting that this is an ancient feature that has not evolved over time. (vii) No correlation is observed between HSE's and signatures of crustal contamination (e.g., Sr isotopes), indicating that the HSE signatures of the SNC suite are not derived from the crust. (vii) The Ru/Pd for the SNC suite ratio is about 0.5 chondritic. We attribute this depletion of Ru to the presence of spinel in the SNC source regions. (viii) Assignment of this depletion of Ru to spinel seems to also imply that spinel is not the cause of Os and Ir fractionations, requiring some other mafic phase to account for the observed variations. -----.

Jones, J. H.↗
NASA NTRS2011

Almahata Sitta and Brecciated Ureilites: Insights into the Heterogeneity of Asteroids and Implications for Sample Return

Analysis of samples returned to terrestrial laboratories enables more precise measurements and a wider range of techniques to be utilized than can be achieved with either remote sensing or rover instruments. Furthermore, returning samples to Earth allows them to be stored and re-examined with future technology. Following the success of the Hayabusa mission, returning samples from asteroids should be a high priority for understanding of early solar system evolution, planetary formation and differentiation. Meteorite falls provide us with materials and insight into asteroidal compositions. Almahata Sitta (AS) was the first meteorite fall from a tracked asteroid (2008 TC3) [1] providing a rare opportunity to compare direct geochemical observations with remote sensing data. Although AS is predominantly ureilitic, multiple chondritic fragments have been associated with this fall [2,3]. This is not unique, with chondritic fragments being found in many howardite samples (as described in a companion abstract [4]) and in brecciated ureilites, some of which are known to represent ureilitic regolith [5-7]. The heterogeneity of ureilite samples, which are thought to all originate from a single asteroidal ureilite parent body (UPB) [5], gives us information about both internal and external asteroidal variations. This has implications both for the planning of potential sample return missions and the interpretation of material returned to Earth. This abstract focuses on multiple fragments of two meteorites: Almahata Sitta (AS); and Dar al Gani (DaG) 1047 (a highly brecciated ureilite, likely representative of ureilite asteroidal regolith).

Ross, A. J.↗
NASA NTRS2013

Mesosiderites on Vesta: A Hyperspectral VIS-NIR Investigation

The discussion about the mesosiderite origin is an open issue since several years. Mesosiderites are mixtures of silicate mineral fragments or clasts, embedded in a FeNi metal matrix. Silicates are very similar in mineralogy and texture to howardites [1]. This led some scientists to conclude that mesosiderites could come from the same parent parent asteroid of the howardite, eucrite and diogenite (HED) meteorites [2, 3]. Other studies found a number of differences between HEDs and mesosiderite silicates that could be explained only by separate parent asteroids [4]. Recently, high precision oxygen isotope measurements of m esosiderites silicate fraction were found to be isotopically identical to the HEDs, requiring common parent body, i.e. 4 Vesta [5]. Another important element in favor of a common origin was given by the identification of a centimeter-sized mesosiderite clast in a howardite (Dar al Gani 779): a metal-rich inclusion with fragments of olivine, anorthite, and orthopyroxene plus minor amounts of chromite, tridymite, and troilite [6]. The Dawn mission with its instruments, the Infrared Mapping Spectrometer (VIR) [7], the Framing Camera [8] and the Gamma-Ray and Neutron Detector (GRaND) [9] confirmed that Vesta has a composition fully compatible with HED meteorites [10]. We investigate here the possibility to discern mesosiderite rich locations on the surface of Vesta by means of hyperspectral IR images.

Palomba, E.↗
NASA NTRS2017

A New Type of Foreign Clast in A Polymict Ureilite: A CAI or AL-Rich Chondrule

Introduction: Polymict ureilites are breccias interpreted to represent regolith formed on a ureilitic asteroid [1-3]. They consist of approximately 90-95% clasts of various ureilite types (olivine-pyroxene rocks with Fo 75-95), a few % indigenous feldspathic clasts, and a few % foreign clasts [4-20]. The foreign clasts are diverse, including fragments of H, L, LL and R chondrites, angrites, other achondrites, and dark clasts similar to CC [6,7,9-19]. We report a new type of foreign clast in polymict ureilite DaG 999. Methods: Clast 8 in Dar al Gani (DaG) 999/1 (Museum fur Naturkunde) was discovered during a survey of feldspathic clasts in polymict ureilites [19,20]. It was studied by BEI, EMPA, and X-ray mapping on the JEOL 8530F electron microprobe at ARES, JSC. Petrography and Mineral Compositions: Clast 8 is sub-rounded to irregular in shape, approximately 85 micrometers in diameter, and consists of approximately 68% pyroxene and 32% mesostasis (by area). Part of the pyroxene (top half of clast in Fig. 1a and 2) shows a coarse dendritic morphology; the rest appears massive. Mesostasis may be glassy and contains fine needles/grains of pyroxene. The pyroxene has very high CaO (23.5 wt.%) and Al2O3 (19.7 wt.%), with the formula: (Ca(0.91)Mg(0.63)Fe(0.01)Al(sup VI) (0.38)Cr(0.01)Ti(0.05)1.99 Si2O6. The bulk mesostasis also has very high Al2O3 (approximately 26 wt.%). A bulk composition for the clast was obtained by combining modal abundances with phase compositions (Table 1, Fig. 3). Discussion: The pyroxene in clast 8 has a Ca-Al-(Ti)- rich (fassaitic) composition that is clearly distinct from compositions of pyroxenes in main group ureilites [22] or indigenous feldspathic clasts in polymict ureilites [4-8]. It also has significantly higher Al than fassaite in angrites (up to approximately 12 wt.% [23]), which occur as xenoliths in polymict ureilites. Ca-Al-Ti rich pyroxenes are most commonly found in CAIs, Al-rich chondrules and other types of refractory inclusions in chondrites [21,24-31]. However, the clast 8 pyroxene matches only the most Al-Ca-rich of these, e.g., pyroxenes in type B CAIs in CV3 chondrites [25,30,31], a pyroxene-hibonite spherule and a pyroxene-anorthitespinel fragment from unique CC Acfer 094 [29], and one Al-rich chondrule from Chainpur (LL3.4) [21]. The mineralogy of clast 8 is not consistent with the mineral assemblages of any of these objects (since it lacks hibonite, spinel and/or anorthite), which suggests that it is unrepresentatively sectioned or is a fragment of a more mineralogically diverse object. Its bulk composition (Table 1; Fig. 3) is similar to bulk compositions of some Al-rich chondrules, as well as those of Type C CAIs (which plot in the sp+An+L field in Fig. 3), although it is enriched in silica relative to type C CAIs [e.g., 31]. This suggests a more likely affinity to Al-rich chondrules, although most Al-rich chondrules have less Al-Ca-rich pyroxene [21,26,27]. These bulk compositional comparisons may not be definitive, however, if the clast is unrepresentatively sampled. One of eleven Al-rich chondrules from UOCs described by [21] has textural and compositional characteristics that make it a possible progenitor type for clast 8. This chondrule (Chainpur 1251-14-2) is anorthiteporphyritic, with an interstitial dendritic intergrowth of pyroxene (similar in composition to that in clast 8) and plagioclase [21]. Clast 8 is conceivably a fragment from the interstitial area of such an object. The occurrence of glassy mesostasis (in clast 8) rather than plagioclase may not be a significant difference; it could result from a difference only in cooling rate. Al-rich chondrules with glassy mesostasis are rare, and known occurrences are Ca-poor [26], unlike clast 8. Polymict ureilites are known to contain xenoliths of various chondrites (including OC, R and CC) as well as individual ferromagnesian and silica-pyroxene chondrules probably derived from OC or RC [6,9,15,16,18]. This is the first report of an individual chondritic refractory inclusion as a xenolith in a polymict ureilite. An RC-like sample from anomalous polymict ureilite Almahata Sitta contains CAIs, but they are spinel-rich and not similar to clast 8 [13,14]. Further studies of this clast (which, unfortunately, may not be possible), or the discovery of additional (more representative?) materials of this type would be needed to determine the exact nature of this xenolith and the type of chondrite from which it is derived.

Goodrich, C. A.↗
NASA NTRS2022

Geologically Recent Areas as One Key Target for Identifying Active Volcanism on Venus

The recently selected NASA VERITAS and DAVINCI missions, the ESA EnVision, the Roscosmos Venera-D will open a new era in the exploration of Venus. One of the key targets of the future orbiting and in-situ investigations of Venus is the identification of volcanically active areas on the planet. The study of the areas characterized by recent or ongoing volcano-tectonic activity can inform us on how volcanism and tectonism are currently evolving on Venus. Following this key target, the manuscript by Brossier et al. (2022) (https://doi.org/10.1029/2022GL099765) extends the successful approach and methodology used by previous works to Ganis Chasma in Atla Regio. We comment here on the main results of the manuscript published by Brossier et al. (2022) (https://doi.org/10.1029/2022GL099765) and discuss the important implications of their work for the future orbiting and in-situ investigations of Venus. Their results add further lines of evidence indicating possibly recent volcanism on Venus.

Solar system↗
NASA NTRSDate not supplied

Terrestrial Analogue Studies from ISRO’s Venus Mission Perspective: Polarimetric Radar Properties of Hawaiian Lava Flows

Detection of present and past volcanism on Venus is one of the major goals of the proposed ISRO’s Venus orbiter mission. The S-band, high-resolution (40 m/pixel) fully Polarimetric Synthetic Aperture Radar (PolSAR) instrument on this mission [1] may have the capabilities to detect volcanism within the mission lifetime using repeated PolSAR imagery, and possibly SAR Interferometry (InSAR, experimental mode). The global mapping efforts of Venus by Magellan mission has enabled comprehensive mapping of lava flows and indicated that Venus has an extensive history of volcanism, the ages of which are largely unknown (e.g. [2]). While Magellan radar emissivity data (e.g. [3, 4]) and Near Infrared emissivity data from VIRTIS [5] suggested the occurrence of recent episodes of volcanic activity (e.g. Maat Mons and Ganis Chasma), as well as the presence of stratigraphically young lava flows (e.g. Idunn Mons), measuring changes in radar backscatter amplitude alone to identify lava flows has many challenges. Although very large changes in the shape of the terrain can be observed in radar backscatter amplitude changes (e.g. [6]), smaller, or relatively flat lava flows are difficult to detect. Previous terrestrial studies suggest that PolSAR and InSAR techniques are very effective for mapping lava flows (e.g. [7-9]), and can be used when changes cannot be distinguished in radar backscatter images. We use the unvegetated lava flows on Hawaiʻi island as a terrestrial analogue to study Venus lava flows for the following reasons: (a) It is extensively studied at several wavelengths commonly used in remote sensing studies (including PolSAR and InSAR methods); and (b) it is a volcanically active area with new lava flows frequently covering older emplaced flows. To investigate the surface roughness, texture, and fine-grained mantling associated with Mauna Loa and Kilauea lava flows, we utilize C- and L-band PolSAR datasets obtained from RISAT-1A (EOS-4) and ALOS PALSAR missions respectively. In particular, we will use the quad-polarized backscatter and polarimetric parameters to characterize the texture of the terrestrial lava flows to understand whether the Venus crust is continuously disrupted during flow emplacement. While some previous studies (e.g. [10, 11]) suggested that surface roughness of most of the Venus flows is comparable to that of terrestrial pāhoehoe flows, other studies indicated that fractal dimensions of some large lava flows on Venus imply high eruption rates which favour the formation of a’a flows (e.g. [12]). We will also analyse the terrestrial flows for the presence/absence of pyroclastic mantling as radar-bright diffuse deposits near the summit regions of some coronae on Venus have been proposed to be young pyroclastics, and possible evidence of a renewed epoch of mantle volcanism that taps into deeper volatiles [13]. A recent study using EOS-4 RISAT-1 data of a part of fresh Mauna Loa lava flows (2022 eruption) emphasizes the ability of fully polarimetric SAR data to understand the diversity of physical properties (e.g. texture and morphology) associated with them (Sreejith et al. 2024); and we will apply similar methods to the PolSAR data obtained from ISRO’s Venus mission for our proposed objectives.

Sriram S Bhiravarasu↗
DOE OSTI2023

Data preservation in high energy physics

Data preservation is a mandatory specification for any present and future experimental facility and it is a cost-effective way of doing fundamental research by exploiting unique data sets in the light of the continuously increasing theoretical understanding. This document summarizes the status of data preservation in high energy physics. The paradigms and the methodological advances are discussed from a perspective of more than ten years of experience with a structured effort at international level. The status and the scientific return related to the preservation of data accumulated at large collider experiments are presented, together with an account of ongoing efforts to ensure long-term analysis capabilities for ongoing and future experiments. Transverse projects aimed at generic solutions, most of which are specifically inspired by open science and FAIR principles, are presented as well. A prospective and an action plan are also indicated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Kink-antikink collisions and multi-bounce resonance windows in higher-order field theories

In this work, we study collisions of coherent structures in higher-order field-theoretic models, such as the Φ 8 , Φ 10 and Φ 12 ones. The main distinguishing feature, of the example models considered herein, is that the collision arises due to the long-range interacting algebraic tails of these solitary waves. We extend the approach to suitably initialize the relevant kinks, in the additional presence of finite initial velocity, in order to minimize the dispersive wave radiation potentially created by their slow spatial decay. We find that, when suitably initialized, these models still feature the multi-bounce resonance windows earlier found in models in which the kinks bear exponential tails, such as the Φ 4 and Φ 6 field theories among others. Also present is the self-similar structure of the associated windows with three- and more-bounce windows at the edges of two- and lower-bounce ones. Moreover, phenomenological but highly accurate (and predictive), scaling relations are derived for the dependence of the time between consecutive collisions and, e.g., the difference in kinetic energy between the incoming one and the critical one for one-bounces. Such scalings are traced extensively over two-bounce collision windows throughout the three models, hinting at the possibility of an analytical theory in this direction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Finding a common ground for RCM experiments. Part B: Benchmark study on ethanol ignition

Rapid compression machines (RCMs) are widely used to investigate gas phase reaction kinetics of various kind of fuels at application relevant conditions. In principle, the operation of an RCM is based on the idea of compressing a homogenous pre-mixed fuel-air mixture by a piston. Usually creviced pistons ensure a homogenous adiabatic core in the center of the reaction chamber which permits the assumption of an isentropic relation between the measured pressure and gas temperature. Despite the ideal core gas compression, non-ideal effects such as heat loss, differences in the compression behavior, and ultimately non-standardized design and operation of rapid compression machines lead to different experimental results in different facilities at nominally the same end of compression conditions. In this study ignition delay times of ethanol are investigated at four different conditions in five independent RCMs. As expected, the raw results of the different facilities indeed show notable differences at the same end of compression conditions. However, according to the adiabatic core hypothesis the agreement between kinetic simulations and experiments should be consistent for all facilities provided that the facility effects are correctly accounted for. To elaborate upon this hypothesis, a kinetic mechanism is optimized to reflect the experimental results of all facilities. In the end, the optimized mechanism predicts all experimental data within the expected uncertainty. This confirms the reliability of RCM experiments for kinetic investigations and the validity of the effective volume approach in simulating RCM data.

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

Atomic-scale investigations of Ti 3 C 2 T x MXene surfaces

The family of two-dimensional (2D) carbides and/or nitrides, also known as MXenes, has generated great excitement within the scientific community and has been proposed for a wide variety of applications since its discovery. Despite this attention, there have been only limited studies of the atomically resolved local electronic and physical structure of MXene surfaces strongly affecting the physicochemical properties of these materials. Here, in this study, we report local structural, spectroscopic, and chemical investigations of the surfaces of Ti 3 C 2 T x flakes using scanning tunneling microscopy and spectroscopy, closely coupled to theoretical studies. Terminal groups are visualized and characterized, along with surface TiO 2 clusters formed upon exposure to air. Fundamental insight into the local electronic and chemical properties associated with different terminal groups on MXenes and their oxidation products is presented.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental and kinetic modeling study of tetralin: A naphtheno-aromatic fuel for gasoline, jet and diesel surrogates

Distillate fuels contain significant proportions of naphtheno-aromatic components and tetralin is a suitable surrogate component to represent this molecular moiety. The presence of aromatic and naphthyl rings makes kinetic modeling of tetralin very challenging. Primary radicals formed during the oxidation of tetralin can be aryl, benzylic or paraffinic in nature. Using available information on reaction paths and rate constants of naphthenes and alkyl-aromatics, in this study a kinetic model of tetralin has been developed with emphasis on low-temperature chemistry and high-pressure conditions. Due to the lack of high-level quantum chemical calculations on reaction pathways of tetralin, analogous rates from ab-initio studies on benzylic and paraffinic radicals have been adopted here. Some modifications to the reaction rate rules are incorporated to account for the unique characteristics of tetralin's molecular structure. Important reaction channels have been identified using reaction path and brute force sensitivity analyses. In order to investigate the model performance at low temperatures, new experiments are carried out in a rapid compression machine on blends of tetralin and 3-methylpentane. Blending of low-reactivity tetralin with a high-reactivity alkane allowed the investigation of tetralin ignition at very low temperatures (665 – 856 K). The kinetic model developed in the current study is found to predict the current experiments and literature data adequately. The new model will aid in high-fidelity surrogate predictions at engine-relevant conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Probing the Chemical Kinetics of Minimalist Functional Group Gasoline Surrogates

We report surrogate mixtures are routinely used for understanding gasoline fuel combustion in engine simulations. The general trend in surrogate formulation has been to increase the number of fuel components in a mixture to better emulate real fuel properties. Recently, a new surrogate design strategy based on functional group analysis of real gasolines was proposed using a minimal number of species [minimalist functional group (MFG)-approach]. MFG surrogates (having just one or two components) could experimentally capture the ignition delay time (IDT), threshold sooting index, and smoke point of different gasoline fuels with hundreds of components. However, other combustion characteristics were not explored, and kinetic modeling of MFG surrogates was not reported. These aspects are addressed in this paper, where the combustion behavior of MFG surrogates for various gasolines was assessed by simulating IDT, jet-stirred reactor oxidation, and premixed laminar flame speeds using chemical kinetic modeling. MFG simulations were compared with experimental data of the real gasolines as well as with the more complex multicomponent (five to nine species) surrogates. This study reveals that binary MFG surrogate mixtures are capable of accurately simulating the combustion behavior of more complex gasoline fuels with hundreds of components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Emergent Magnetism with Continuous Control in the Ultrahigh-Conductivity Layered Oxide PdCoO 2

The current challenge to realizing continuously tunable magnetism lies in our inability to systematically change properties, such as valence, spin, and orbital degrees of freedom, as well as crystallographic geometry. Here, we demonstrate that ferromagnetism can be externally turned on with the application of low-energy helium implantation and can be subsequently erased and returned to the pristine state via annealing. We find that this high level of continuous control is made possible by targeting magnetic metastability in the ultrahigh-conductivity, nonmagnetic layered oxide PdCoO 2 where local lattice distortions generated by helium implantation induce the emergence of a net moment on the surrounding transition metal octahedral sites. These highly localized moments communicate through the itinerant metal states, which trigger the onset of percolated long-range ferromagnetism. The ability to continuously tune competing interactions enables tailoring precise magnetic and magnetotransport responses in an ultrahigh-conductivity film and will be critical to applications across spintronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

A fully unprivileged CernVM-FS

The CernVM File System provides the software and container distribution backbone for most High Energy and Nuclear Physics experiments. It is implemented as a file system in user-space (Fuse) module, which permits its execution without any elevated privileges. Yet, mounting the file system in the first place is handled by a privileged suid helper program that is installed by the Fuse package on most systems. The privileged nature of the mount system call is a serious hindrance to running CernVM-FS on opportunistic resource and supercomputers. Fortunately, recent developments in the Linux kernel and in the Fuse user-space libraries enabled fully unprivileged mounting for Fuse file systems (as of RHEL 8), or at least outsourcing the privileged mount system call to a custom, external process. This opens the door to several, very appealing new ways to use CernVM-FS, such as a generally usable “super pilot” consisting of the pilot code bundled with Singularity and CernVM-FS, or the on-demand instantiation of unprivileged, ephemeral containers to publish new CernVM-FS content from anywhere. In this contribution, we discuss the integration of these new Linux features with CernVM-FS and show some of its most promising, new applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗