Search NASA⌕ Search

SEARCH · Search NASA

Results for “chemical features”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Refining a Novel Process Monitoring Method to Safeguard Continuously Cycling Designs Using Isotopic Ratios

In advanced reactor (AR) designs, a common feature is continuous chemical processing and circulation of the nuclear material. This work bridges a significant measurement gap in safeguarding reactors with circulating fuel or continuous refueling by leveraging and building on the isotope ratio method first developed by our team under an FY21 Advanced Reactors International Safeguards Engagement (ARISE) project (Uribe et al. 2021). In circulating fuel designs, the radioisotope inventory changes from traditional effects (e.g., radioactive decay, fission) but also includes material transport due to pressure and temperature gradients. Such designs may also require regular or continuous additions or removals during operation, which significantly increases the rate of inventory change compared to traditional pressurized water reactor (PWR)s. Thus, directly tracking the nuclear inventory is ineffective since the isotopes are continuously added and removed. The isotope ratio method instead focuses on detecting changes to the input and output flows of radioisotopes. Previous work showed that for well-chosen pairs of isotopes, the isotopic ratio provides a sensitive and lasting indicator of deviation from normal conditions (e.g., startup, shutdown, diversion). The isotope ratio method is a process monitoring method with potential for application in for forward-looking approaches to International Atomic Energy Agency (IAEA) safeguards. The original process monitoring method was developed for a specific case—the decay tank of a thorium-fueled molten salt breeder reactor. In this expanded work, we explored other types of reactors and processes with nonstationary (e.g., flowing) nuclear material, which are difficult to safeguard with traditional methods because of the transient nature of the systems. The goal of the present work is to generalize the isotope ratio method for use in processes with continuously flowing nuclear material. All continuous processes have an average time for isotopes to be replaced in the system. The isotope ratio method works by choosing radioisotopes with half-lives both above and below the processing time. The present work seeks to explore which isotopes are suitable for the method by simulating the nuclear inventory, radioisotope emissions, and detector responses for several classes of advanced reactors. While the method can in principle be applied to other processes (e.g., enrichment or reprocessing facilities), the present work limits scope to ARs with continuously flowing fuel. Section 2 details the mathematics supporting the isotope ratio method, and Section 3 introduces the representative ARs selected for this work. Section 4 discusses how each reactor was analyzed, and Section 5 showcases the results for each representative reactor. Finally, Section 6 provides concluding remarks and suggests pathways for further analysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2021

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

Nuclear quantum effects (NQEs) are known to impact a number of features associated with chemical reactivity and physicochemical properties, particularly for light atoms and at low temperatures. In the imaginary time path integral formalism, each atom is mapped onto a “ring polymer” whose spread is related to the quantum mechanical uncertainty in the particle’s position, i.e., its thermal wavelength. A number of metrics have previously been used to investigate and characterize this spread and explain effects arising from quantum delocalization, zero-point energy, and tunneling. Many of these shape metrics consider just the instantaneous structure of the ring polymers. However, given the significant interest in methods such as centroid molecular dynamics and ring polymer molecular dynamics that link the molecular dynamics of these ring polymers to real time properties, there exists significant opportunity to exploit metrics that also allow for the study of the fluctuations of the atom delocalization in time. Here we consider the ring polymer delocalization from the perspective of computational topology, specifically persistent homology, which describes the 3-dimensional arrangement of point cloud data, (i.e. atomic positions). We employ the Betti sequence probability distribution to define the ensemble of shapes adopted by the ring polymer. The Wasserstein distances of Betti sequences adjacent in time are used to characterize fluctuations in shape, where the Fourier transform and associated principal components provides added information differentiating atoms with different NQEs based on their dynamic properties. We demonstrate this methodology on two representative systems, a glassy system consisting of two atom types with dramatically different de Broglie thermal wavelengths, and ab initio molecular dynamics simulation of an aqueous 4 M HCl solution where the H-atoms are differentiated based on their participation in proton transfer reactions.

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

Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody

The VH6-1 class of antibodies includes some of the broadest and most potent antibodies that neutralize influenza A virus. Here, we elicit and isolate anti-idiotype antibodies against germline versions of VH6-1 antibodies, use these to sort human leukocytes, and isolate a new VH6-1-class member, antibody L5A7, which potently neutralized diverse group 1 and group 2 influenza A strains. While its heavy chain derived from the canonical IGHV6-1 heavy chain gene used by the class, L5A7 utilized a light chain gene, IGKV1-9, which had not been previously observed in other VH6-1-class antibodies. The cryo-EM structure of L5A7 in complex with Indonesia 2005 hemagglutinin revealed a nearly identical binding mode to other VH6-1-class members. The structure of L5A7 bound to the isolating anti-idiotype antibody, 28H6E11, revealed a shared surface for binding anti-idiotype and hemagglutinin that included two critical L5A7 regions: an FG motif in the third heavy chain-complementary determining region (CDR H3) and the CDR L1 loop. Surprisingly, the chemistries of L5A7 interactions with hemagglutinin and with anti-idiotype were substantially different. Overall, we demonstrate anti-idiotype-based isolation of a broad and potent influenza A virus-neutralizing antibody, revealing that anti-idiotypic selection of antibodies can involve features other than chemical mimicry of the target antigen.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Atomic Force Microscopy to Characterize Antimicrobial Peptide-Induced Defects in Model Supported Lipid Bilayers

Antimicrobial peptides (AMPs) interact with bacterial cell membranes through a variety of mechanisms, causing changes extending from nanopore formation to microscale membrane lysis, eventually leading to cell death. Several AMPs also disrupt mammalian cell membranes, despite their significantly different lipid composition and such collateral hemolytic damage hinders the potential therapeutic applicability of the AMP as an anti-microbial. Elucidating the mechanisms underlying the AMP–membrane interactions is challenging due to the variations in the chemical and structural features of the AMPs, the complex compositional variations of cell membranes and the inadequacy of any single experimental technique to comprehensively probe them. (1) Background: Atomic Force Microscopy (AFM) imaging can be used in combination with other techniques to help understand how AMPs alter the orientation and structural organization of the molecules within cell membranes exposed to AMPs. The structure, size, net charge, hydrophobicity and amphipathicity of the AMPs affect how they interact with cell membranes of differing lipid compositions. (2) Methods: Our study examined two different types of AMPs, a 20-amino acid, neutral, α-helical (amphipathic) peptide, alamethicin, and a 13-amino acid, non-α-helical cationic peptide, indolicidin (which intramolecularly folds, creating a hydrophobic core), for their interactions with supported lipid bilayers (SLBs). Robust SLB model membranes on quartz supports, incorporating predominantly anionic lipids representative of bacterial cells, are currently not available and remain to be developed. Therefore, the SLBs of zwitterionic egg phosphatidylcholine (PC), which represents the composition of a mammalian cell membrane, was utilized as the model membrane. This also allows for a comparison with the results obtained from the Quartz Crystal Microbalance with Dissipation (QCM-D) experiments conducted for these peptides interacting with the same zwitterionic SLBs. Further, in the case of alamethicin, because of its neutrality, the lipid charge may be less relevant for understanding its membrane interactions. (3) Results: Using AFM imaging and roughness analysis, we found that alamethicin produced large, unstable defects in the membrane at 5 µM concentrations, and completely removed the bilayer at 10 µM. Indolicidin produced smaller holes in the bilayer at 5 and 10 µM, although they were able to fill in over time. The root-mean-square (RMS) roughness values for the images showed that the surface roughness caused by visible defects peaked after peptide injection and gradually decreased over time. (4) Conclusions: AFM is useful for helping to uncover the dynamic interactions between different AMPs and cell membranes, which can facilitate the selection and design of more efficient AMPs for use in therapeutics and antimicrobial applications.

Swana, Kathleen W.↗
NASA NTRS1972

Remote sensing and extractable biological resources

The nature and quantity of extractable biological resources available in the Chesapeake Bay are discussed. The application of miniaturized radio sensors to track the movement of fish and birds is described. The specific uses of remote sensors for detecting and mapping areas of algae, red tide, thermal pollution, and vegetation beds are presented. The necessity for obtaining information on the physical, chemical, and meteorological features of the entire bay in order to provide improved resources management is emphasized.

Cronin, L. E.↗
NASA NTRS1977

Compositional variation in late-stage differentiates in mare lavas, as indicated by silicate melt inclusions

Questions regarding an interpretation of data from silicate melt inclusions are considered, taking into account the fragmental nature of the record, the possible effects of cooling rate on late-stage melt composition, and the crystallization of the trapped melt. New data related to 484 new analyses are provided in a separate table. Textural and mineralogical features and bulk chemical composition for an overall characterization of late-stage differentiates are discussed. A description is presented of a grouping and recognition of rock types on the basis of late-stage inclusion analyses. Attention is given to the bimodality of potassium values and the delineation of differentiation trends. It is found that many of the problems in interpretation and much of the scatter found in the composition of silicate melt inclusions in lunar samples can be attributed to the incomplete nature of the record and to crystallization after trapping.

Roedder, E.↗
NASA NTRS1989

Diphenylpolyynes For Nonlinear Optical Devices

Several diphenylpolyyne compounds found to exhibit second-order nonlinear electric susceptibilities and chemical structures conducive to orientation in appropriate chemical environments. These features make new materials suitable for use in optical devices. Diphenylacetylene links give molecules rodlike characteristics making them amenable to orientation by suspension in liquid crystals. New molecules also have inherent liquid-crystalline properties enabling them to be oriented directly.

Stiegman, Albert E.↗
NASA NTRS1988

Overview and classification of meteorites

Before interpreting properties of meteorites in terms of putative processes and conditions in the early solar system, it is necessary to understand just what sort of objects meteorites are. Such understanding begins with classification. In this chapter, the current taxonomy of meteorites is summarized, and it is shown how certain stone meteorites, the chondrites, possess chemical and petrographic features that make them potentially attractive as probes of the early solar system. The prevalence of secondary alteration effects, often capable of perturbing the primitive record even in chondrites, is also emphasized.

Sears, Derek W. G.↗
NASA NTRS1989

The Tsarev meteorite - Petrology and bidirectional reflectance spectra of a shock-blackened L chondrite

The Tsarev meteorite is a highly shocked black L5 ordinary chondrite. Meteorites of this class may have been subjected to regolith processes on or near the surface of ordinary chondrite bodies. The study of their optical alteration can provide valuable support in the spectral search for ordinary chondrite parent bodies. Although Tsarev is very dark in a cut-surface hand sample, it is characterized by subtle variations in apparent darkness, called in this work grey and black areas. Both areas are substantially optically altered from normal ordinary chondrites and are characterized by a much lower albedo and strongly suppressed absorption features. Although both areas are altered, they show differences in albedo and the strength of absorption features. Particulate samples from the black area have a slightly higher albedo and stronger absorption features, while the particulate samples from the grey area show a systematic suppression of spectral features and albedo. Chemical, mineralogical, and spectral analyses suggest that the spectral differences can be the result of one or a combination of several factors, including shock effects on the crystallographic structure of the minerals and differences in the size, distribution, and amount of metal and troilite grains.

Britt, D. T.↗
NASA NTRS1990

LifeSat - Radiation research

Spaceflight crews will be exposed to levels of radiation which exceed those experienced on the ground. In order to reduce the uncertainty in the evaluation of risks it is necessary to validate the responses of biological systems in space under conditions which simulate exposure levels expected during exploration class missions. The LifeSat system provides the experimental capabilities to satisfy these goals. Specifically, LifeSat is capable of long duration flights of up to 60 days, is able to fly directly into trapped radiation belts and in circular or eccentric polar orbits, has the ability to provide artificial gravity and imposes fewer restrictions than the STS on the use of hazardous materials such as chemical fixatives. These features along with reference missions and experiments are discussed with respect to radiation research goals.

Nelson, Gregory A.↗
NASA NTRS1990

Geochemistry of Precambrian carbonates - 3-shelf seas and non-marine environments of the Archean

Samples from the Pangola and Ventersdorp Supergroups (Kaapvaal Craton, South Africa) and from the Fortescue and Hamersley Groups (Pilbara Block, Australia) were analyzed, using XRF, AAS, and isotope-analysis techniques to investigate the mineralogical, chemical, and isotopic features of these representatives of contemporary shelf carbonates (Pangola and Hamersley samples) and nonmarine carbonates (the Ventersdorp and Fortescue samples). Results show that, mineralogically, the shelf carbonates are almost exclusively dolostones, while the lacustrine facies are predominantly limestones. Geological, trace-element, and oxygen-isotope results of the shelf carbonates suggest that their original mineralogy may have been aragonite, and that the Pangola dolostones may represent a direct dolomitization product of this precursor. By contrast, the stabilization of the Hamersley carbonates may have involved an additional step of transformation of a metastable precursor into limestone.

Veizer, Jan↗
NASA NTRS1992

Near-Infrared Mapping Spectrometer experiment on Galileo

The Galileo Mission's Near-Infrared Mapping Spectrometer (NIMS) combines imaging and spectroscopic methods to map morphological features, ascertain their chemical composition and mineralogy, investigate surface-geology evolution, and measure the parameters of transient atmospheric phenomena. NIMS will investigate Jupiter and the Galilean satellites during a two-year orbital operation period, beginning in December, 1995. En route, NIMS will have obtained data for Venus, the earth/moon system, and two asteroids. NIMS covers the 0.7-5.2 micron spectral range, thereby encompassing the reflected-sunlight and thermal-radiation regimes for numerous solar system objects.

Carlson, R. W.↗
NASA NTRS1992

Evidence for distillation in the formation of HAL and related hibonite inclusions

New Ca- and Ti-isotopic analyses of DH-H1, 7-404, and 7-971, and Mg-isotopic analyses on DH-H1 and 7-404 are reported. O-isotopic analyses of HAL, 7-404, 7-971, and a variety of other refractory inclusions from Murchison were made in order to establish the presence or absence of FUN O-isotopic systematics. A higonite-rich residue produced by the evaporation of kaersutite was analyzed for its trace-element and isotopic abundances to see if any of the characteristics of FUN hibonite inclusions can be produced by distillation in the laboratory. These data are then used to evaluate for all four inclusions the HAL-type formation models originally proposed by Allen et al. (1980) and Lee et al. (1980). The four inclusions were found to have very similar chemical and isotopic features. All are characterized by large Ce depletions and very low Mg, Ti, and V concentrations compared to other meteoritic hibonites. All four inclusions have delta(C-48) within error of -5 per mil. Ca-, Ti-, and O-isotopic compositions are fractionated with enrichments of the heavy isotopes, and the Ti-isotopic mass fractionation is inversely correlated with Ti concentration. It is concluded that the inclusions formed primarily as distillation residues in accord with the early conclusions.

Ireland, Trevor R.↗
NASA NTRS1993

Isotopic and trace element characteristics of an unusual refractory inclusion from Essebi

The isotopic and chemical properties of Ca-Al-rich inclusions (CAI) provide important clues to the early solar nebula environment. While the abundances of refractory major and trace elements are similar to those expected for high temperature condensates, the variety of textural, chemical, and isotopic signatures indicate most CAI experienced complex, multi-stage histories involving repeated episodes of condensation, evaporation, and metamorphism. Evidence of multiple processes is especially apparent in an unusual refractory inclusion from Essebi (URIE) described by El Goresy et al. The melilite (mel)-rich core of URIE contains polygonal framboids of spinel (sp) and hibonite (hb) or sp and fassaite (fas) and is surrounded by a rim sequence consisting of five layers. In contrast to rims on Allende, the mineralogy of the URIE rim layers becomes increasingly refractory from the core outwards, ending in a layer of spinel-Al2O3 solid solution + Sc-rich fassaite. The chemical and mineralogical features of URIE are inconsistent with crystallization from a homogeneous melt, and El Goresy et al. proposed a multi-step history involving condensation of sp + hb and aggregation into framboids, capture of framboids by a refractory silicate melt droplet, condensation of rim layers, and alteration of mel to calcite and feldspathoid. The PANURGE ion probe was used to investigate the isotopic and trace element characteristics of URIE to develop a more complete picture of the multiple processes leading to formation and metamorphism.

Deloule, E.↗
NASA NTRS1994

Implications of noble gases in a recently recognized Martian meteorite (ALH84001) for the degassing history of Mars

For terrestrial planets, atmospheric compositions are not static, but evolve with time, in part due to degassing of the interior. Unfortunately, the evolution is slow enough that it is usually not observable on human timescales, or even on the timescales of rocks that preserve samples of Earth's ancient atmosphere. Preliminary results on a recently recognized Martian meteorite, ALH84001, indicate that it is a very old rock, and has a relatively high noble gas content suggestive of atmospheric incorporation, but with an isotopic composition slightly inconsistent with currently known Martian reservoirs. Hence, this rock may provide a sample of ancient Martian atmosphere, which can be used to test models of volatile evolution (in particular, degassing) on Mars. ALH84001 is a cumulate orthopyroxenite. Although originally classified as a diogenite, its oxygen isotopes, and several chemical and petrographic features, strong suggest that it is, like the SNC meteorites, Martian. A Sm-Nd crystallization age of 4.5 Ga has been reported. The meteorite is rich in noble gases, compared to most SNC's. In many respects the noble gases are typical of SNC meteorites. However, there are some subtle differences. In particular, the Xe isotopes in SNC meteorites can be explained as a mixture of Martian atmospheric Xe (as represented by glass in EETA 79001), the Xe in the dunite Chassigny (usually assumed to be representative of the Martian interior, and with lower (129)Xe/(132)Xe, (134)Xe/(132)Xe and (136)Xe/(132)Xe ratios), and later additions from known processes like fission, spallation and terrestrial contamination. The isotopic composition of ALH84001 is inconsistent (at greater than 2-3 sigma) with any mixture of those components. Even if no accumulation of fission Xe during the age of the rock is assumed, there is too little (136)Xe and (134)Xe for the amount of (129)Xe measured.

Swindle, T. D.↗
NASA NTRS1994

Near-infrared spectroscopy of primitive solar system objects

We have obtained near-infrared (H and K band at lambda/Delta(lambda) is approximately 480 to 600) spectra of a sample of primitive objects including 2 Centaur objects (2060 Chiron and 5145 Pholus) and 16 P- and D-type asteroids. The spectra were obtained at the United Kingdom Infrared Telescope using the cooled grating spectrometer CGS4, and were used to search for chemically diagnostic vibrational features in these primitive objects. Pholus exhibits broad adsorption features at 2.07 and 2.27 micrometers, as well as a weak feature at 1.72 micrometers. The 1.72- and 2.27-micrometer features are similar to those seen in a laboratory tar sand sample. No distinct absorption features are found in other objects, including Chiron, which displays a spectrally neutral continuum. A comparison of the P- and D-type asteroid spectra with laboratory measurements of organic solids shows no compelling evidence for hydrocarbon overtones seen in terrestrial bituminous tar sands.

Luu, Jane↗
NASA NTRS1993

Reflectance and Mossbauer spectroscopy of ferrihydrite-montmorillonite assemblages as Mars soil analog materials

Spectroscopic analyses show that Fe(3+)-doped smectites prepared in the laboratory exhibit important similarities to the soils on Mars. Ferrihydrite has been identified as the interlayer ferric component in Fe(3+)-doped smectites by a low quadrupole splitting and magnetic field strength of approximately 48 tesla in Mossbauer spectra measured at 4.2 K, as well as a crystal field transition at 0.92 micrometer. Ferrihydrite in these smectites explains features in the visible-near infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. Clay silicates have met resistance in the past as Mars soil analogs because terrestrial clay silicates exhibit prominent hydrous spectral features at 1.4, 1.9, and 2.2 micrometers; and these are observed weakly, if at all, in reflectance spectra of Mars. However, several mechanisms can weaken or compress these features, including desiccation under low-humidity conditions. The hydration properties of the interlayer cations also effect band strengths, such that a ferrihydrite-bearing smectite in the Martian environment would exhibit a 1.9 micrometers H2O absorption that is even weaker than the 2.2 micrometers structural OH absorption. Mixing experiments demonstrate that infrared spectral features of clays can be significantly suppressed and that the reflectance can be significantly darkened by mixing with only a few percent of a strongly absorbing opaque material. Therefore, the absolute reflectance of a soil on Mars may be disproportionately sensitive to a minor component. For this reason, the shape and position of spectral features and the chemical composition of potential analogs are of utmost importance in assessing the composition of the soil on Mars. Given the remarkable similarity between visible-infrared reflectance spectra of soils in bright regions on Mars and Fe(3+)-doped montmorillonites, coupled with recent observations of smectites in SNC meteorites and a weak 2.2 micrometers absorption in some Mars soils, ferrihydrite-bearing smectites warrant serious consideration as a Mars soil analog.

NASA Discipline Exobiology↗
NASA NTRS2016

The Mapping X-Ray Fluorescence Spectrometer (MAPX)

MapX will provide elemental imaging at ≤100 micron spatial resolution over 2.5 X 2.5 centimeter areas, yielding elemental chemistry at or below the scale length where many relict physical, chemical, and biological features can be imaged and interpreted in ancient rocks. MapX is a full-frame spectroscopic imager positioned on soil or regolith with touch sensors. During an analysis, an X-ray source (tube or radioisotope) bombards the sample surface with X-rays or αlpha-particles / gamma rays, resulting in sample X-ray Fluorescence (XRF). Fluoresced X-rays pass through an X-ray lens (X-ray μ-Pore Optic, "MPO") that projects a spatially resolved image of the X-rays onto a CCD. The CCD is operated in single photon counting mode so that the positions and energies of individual photons are retained. In a single analysis, several thousand frames are stored and processed. A MapX experiment provides elemental maps having a spatial resolution of ≤100 micron and quantitative XRF spectra from Regions of Interest (ROI) 2 centimers ≤ x ≤ 100 micron. ROI are compared with known rock and mineral compositions to extrapolate the data to rock types and putative mineralogies. The MapX geometry is being refined with ray-tracing simulations and with synchrotron experiments at SLAC. Source requirements are being determined through Monte Carlo modeling and experiment using XMIMSIM [1], GEANT4 [2] and PyMca [3] and a dedicated XRF test fixture. A flow-down of requirements for both tube and radioisotope sources is being developed from these experiments. In addition to Mars lander and rover missions, MapX could be used for landed science on other airless bodies (Phobos/Deimos, Comet nucleus, asteroids, the Earth's moon, and the icy satellites of the outer planets, including Europa.

Blake, David↗