Mineralogical, petrological, and chemical features of four Apollo 12 lunar microgabbros
Mineralogical, petrological and chemical features of four Apollo 12 lunar microgabbros
Drake, J. C.↗
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Chemical features of the Luna 16 regolith sample.
The Luna 16 regolith sample differs from Apollo 11, 12 and 14 regolith and basalt samples by having smaller negative Eu and Sr anomalies and nearly chondritic Eu/Sm and Eu/Sr ratios although the overall REE, Ba, Sr and U concentrations are 25 to 45 times chondrites. Major element data, in particular FeO vs Al2O3, show that the Luna 16 regolith sample is composed of materials that follow a quantitatively different Fe/Al variation than do Apollo 11, 12, 14 and 15 samples. The small Eu and Sr anomalies and the displaced Fe/Al variation are two chemical features unique to the Luna 16 regolith sample. The Luna 16 regolith sample can contain little if any of the rock types abundant at Apollo sites, thus indicating that the unique chemical features are typical of local or nearby materials and indicate a separate petrogenetic province for major component rock types of the Luna 16 regolith.
Hubbard, N. J.↗
Some chemical features of lavas from the Manu'a Islands, Samoa
Manua Islands /Samoa/ lavas chemical composition, geology and probable history
Hubbard, N. J.↗
Some chemical features of basalts from the British Tertiary Province.
An attempt has been made to chemically characterize the basalts from four islands, Rhum, Eigg, Canna, and Muck that, together with Skye, comprise the Inner Hebrides. The basalts are shown to be chemically distinct from tertiary basalts described from the Faroes and Iceland, but have the low concentrations of Rb, Sr found in some mildly alkaline basalts dredged from the Atlantic. Possible evolution of these rocks is discussed.
Ridley, W. I.↗
Bark morphological and chemical features are differentially correlated with disease resistance and yield in hybrid poplar taxa
In the southeastern United States, the establishment of short-rotation intensively cultured plantations of hybrid poplar has been hindered by its susceptibility to stem cankers. We evaluated the tradeoffs between biomass yield and disease tolerance in hybrid poplar genotypes belonging to P. deltoides × P. maximowiczii (DM), P. deltoides × P. nigra (DN), P. trichocarpa × P. maximowiczii (TM), and P. deltoides × P. deltoides (DD) taxa. We hypothesized that canker resistant genotypes will have thicker bark but bark thickness and biomass yield will be negatively correlated. After two growing seasons, the DD genotypes developed thicker bark compared to the genotypes of other taxa and bark thickness was not correlated with biomass yield in the DD genotypes (R 2 = 0.002). However, in the TM, DM, and DN genotypes, bark thickness was negatively correlated with biomass yield (R 2 = 0.33–0.77). Disease incidence studies revealed that the DM genotypes were most susceptible to canker whereas no disease was detected in DD genotypes. Furthermore, bark analysis conducted by Fourier transform infrared spectroscopy coupled with multivariate analysis showed that that DD genotypes to be chemically separate from the three hybrid genotypes and that bark chemistry was correlated with canker disease incidence. Taken together, these results reveal that it is possible to generate hybrid poplar genotypes with thicker bark, disease resistance, and higher biomass yields. This insight should guide further efforts to develop genetically improved hybrid poplar genotypes, both in terms of biomass yield and disease tolerance, for cultivation in the southeastern United States. Hybrid poplar cultivation in southeastern United States is hindered by its susceptibility to stem cankers. We evaluated tradeoffs between yield and canker disease resistance in various hybrid poplar genotypes. After two growing seasons, the DD genotypes showed disease resistance and developed thicker bark that was chemically distinct from the other genotypes. Bark thickness was not correlated with yield in the DD genotypes but was negatively correlated with yield in the other genotypes. These results will guide the development of hybrid poplar genotypes that are both disease resistant and high yielding for cultivation in the southeastern United States.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Soil biogeochemical properties and metrics of tree-mycorrhizal dominance for a 25-Ha forest in South Central Indiana, USA.
This data package contains a dataset used in the papers “Seeing the forest for all the trees: Mycorrhizal-associated nutrient economies are modulated by stem density and the synchrony between overstory and understory communities” and “Mycorrhizal associations of tree species influence soil nitrogen dynamics via effects on soil acid–base chemistry”. Four csv files are included along with a dataset. The dataset features chemical soil properties for a single sampling campaign within the 25 Ha Lilly-Dickey Woods Smithsonian Forest Global Earth Observatory (ForestGEO) plot in South Central Indiana, USA (ldw_dat_raw.csv). Also included are separate files focused on pH (pH_data.csv), carbon and nitrogen (CN_data.csv), and nitrification rates (Nitrification_data.csv). These variables are commonly associated with the tree-mycorrhizal dominance of forest stands. In these data subsets, each soil variable was matched to a 10 meter radius neighborhood wherein metrics of tree-mycorrhizal dominance (basal area, stem count, importance value, etc.) were calculated. Models between these soil variables and dominance metrics were used to investigate how different assessments of mycorrhizal associated nutrient economies (MANE) capture these relationships. This research was performed as a part of the Smithsonian ForestGEO project. This data package can be used to explore spatial variability in soil chemistry within a mature hardwood forest, or it can be combined with the included tree data, other fine-scale spatial information, or other tree inventory data for the site to evaluate how soil chemistry varies with tree community composition or edaphic or topographic properties.
Craig, Matthew [ORNL] (ORCID:0000000288907920)↗
Transamericium Radiation-Induced Redox Chemistry
The actinide series boasts many unique physical and chemical features worthy of study. However, the chemical influence of their inherent radiation field is often overlooked, especially as we begin to explore the late actinides (transamericium) in more detail than ever possible before. - Absorption of ionizing radiation induces the formation of a variety of transient and steady-state radicals, ions, and molecular degradation products. Many of these radiolysis products are strongly redox active and exhibit significant reactivity with a number of actinides, e.g., neptunium and americium. Here we present results from the first-ever time-resolved picosecond pulsed electron radiolysis measurements for the reaction of the late actinides (curium and californium) with reactive transients pertinent to actinide manipulations in aqueous solution, i.e., the hydrated electron (eaq–), the hydrogen atom (H•), and hydroxyl (•OH) and nitrate (•NO3) radicals.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Recent Advances in Radiation-Induced Actinide Redox Chemistry
The actinide series boasts many unique physical and chemical features worthy of both fundamental and applied study. However, the chemical influence of their inherent radiation field is often overlooked, especially as we begin to explore the late actinides in more detail than ever possible before. From the perspective of used nuclear fuel reprocessing, the absorption of ionizing radiation induces the formation of a variety of transient and steady-state excited states, radicals, ions, and molecular degradation products, many of which are highly redox active and can lead to significant changes in a reprocessing solvent system’s physical and chemical properties. For example, radiolysis of the actinides can drive steady-state redox distributions and the formation of non-traditional oxidation states which can complicate their separation and recovery from fission products. This scenario is further exacerbated when complexation is taken into account. Consequently, a molecular-level understanding of radiation effects on the actinides over multiple time, distance, and material domains is essential for supporting innovation in used nuclear fuel reprocessing technologies. Attaining this knowledge necessitates a firm grasp of actinide radiation chemistry to develop predictive, mechanistic, multiscale models to support engineering efforts. Presented here are several recent studies that highlight recent advances in actinide radiation chemistry, in particular, the effect of actinide complexation on ligand reactivity towards radiation-induced transients.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Conclusions derived from the evidence on accretion in meteorites
A study of the evidence on accretion in meteorites shows that gross chemical features of chondritic meteorite type were established by accretion of materials with characteristic chemical and isotopic compositions. Some meteorites have been subjected to intensive mechanical and/or thermal processes. Mixing has occurred among meteorite types, presumably late in the accretion sequence. From the materials which appear to have escaped substantial modification it can be concluded that the relative velocities between accreting grains varied but in some cases were very low. Accretion took place after most, if not all, of the gaseous components had been separated from the condensed portion of solar matter.
Herndon, J. M.↗
Characterizing major and trace element compositions in fallout melt glass from a near-surface nuclear test
We report the chemical and isotopic compositions of fallout melt glasses from nuclear tests contain a range of information constraining the physical conditions within the fireball and the mechanisms of fallout formation but historic studies tended to exclude the behavior of stable major and trace elements. Here, we present a large study specifically focused on major and trace element relationships within a population of macroscale fallout samples from a single event. We interpret these data to better constrain how fallout melt glass formation in near surface environments is influenced by that environment and demonstrate how major and trace element abundances can provide useful insights into chemical processes within the fireball. Data confirm that the uranium in the fallout glass population derives from two isotopically distinct endmembers: isotopically enriched uranium (presumably from the weapon), and natural composition uranium that may be a combination of anthropogenic and environmental materials from within the blast zone. The similarity between major and trace element concentrations in fallout and corresponding local soils from the event site confirm the local soils as the most probable source of entrained material into the fireball and the source of carrier material into which the bomb vapor was incorporated. The lack of correlation between major and trace element abundances with size indicates that volatility driven processes, such as condensation from the fireball, do not control the composition of macroscale fallout melt glass. Although the fallout has major and trace element chemical characteristics broadly similar to those of the local, associated soils, some systematic differences are observed between the two populations. Fallout melt glass is depleted in volatile elements such as K, Na, Tl and Pb, consistent with heating to temperatures above ~1000 °C for 3-10 s. This is supported by the results of laser heating experiments performed on rhyolitic soil at temperatures (1600-2200 °C) and timescales (1-120 s) that are broadly relevant to fallout formation conditions. Relative enrichments of metals such as Cu and Co do not correlate with the abundance of uranium, suggesting that fallout also records input of near field anthropogenic materials. Our observations suggest that major chemical features can be related to processing in the fireball and used to inform the thermal-chemical evolution of the system. Ultimately, these data are consistent with a fallout formation mechanism that involves rapid melting of surface materials to form carrier material melts with minor incorporation of bomb vapor and a degree of volumetric volatile loss due to heating.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Predicting path-dependent diffusion barrier spectra in vast compositional space of multi-principal element alloys via convolutional neural networks
The emergent multi-principal element alloys (MPEAs) provide a vast compositional space to search for novel materials for technological advances. How to screen promising compositions from such an ample design space for targeted properties is a grand challenge. In this report, we demonstrate the state-of-the-art deep learning technology—convolutional neural network (CNN)—in predicting path-dependent vacancy migration energy barrier spectra, which are critical to diffusion behavior and many high-temperature properties, in the hyperdimensional composition space of MPEAs. The developed CNN model, fully capturing local chemical features surrounding each vacancy, accurately and efficiently predicts migration energy barrier of MPEAs with different degrees of chemical short-range order and at any unseen compositions. By varying the size of the local region encapsulating vacancy in the CNN model, we reveal that the length scale influencing vacancy migration is surprisingly extensive, up to its six nearest neighboring shells. The efforts of the CNN model make it promising for developing a database of diffusion barriers for various MPEA systems, which would have profound implications for accelerating alloy screening and discovering new compositions with desirable properties.
36 MATERIALS SCIENCE↗
Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump
Cholestatic liver injury is frequently associated with drug inhibition of bile salt transporters, such as the bile salt export pump (BSEP). Reliable in silico models to predict BSEP inhibition directly from chemical structures would significantly reduce costs during drug discovery and could help avoid injury to patients. We report our development of classification and regression models for BSEP inhibition with substantially improved performance over previously published models. We assessed the performance effects of different methods of chemical featurization, data set partitioning, and class labeling and identified the methods producing models that generalized best to novel chemical entities.
59 BASIC BIOLOGICAL SCIENCES↗
IRAS low-resolution spectral observations of the 10 and 18 micron silicate emission feature
The IRAS LRS Atlas contains 8-23 micron spectra of 1816 stars with silicate emission features. In order to study the shapes of the silicate dust features, the 117 stars whose emission features appear to be optically thin and which have the best signal-to-noise ratio at the longest wavelengths were analyzed. Simple spherical dust shell models were calculated in both the optically thin and the slightly optical thick approximations. From the comparison of the predicted spectra of the dust and stellar continuum, the emissivity function Kappa(lambda) was derived. In the different stars, the shape of the 10-micron feature is either narrow or broad and it is peaked either at about 9.7 microns or at 10 microns. Either particle size effects (particles above 0.75 microns in radius) or optical depth effects (central optical depth about 1) could broaden the 10-micron feature. Chemical composition differences no doubt are also important, particularly as regards the position of the peak of the 10-micron feature. The stars with the peak at 10 microns are more closely confined to the Galactic plane than the stars with the peak at 9.7 microns. The shape of the 18-micron feature is essentially the same in all stars, and can be used to extend the interstellar extinction curve past 13 to 22 microns.
Simpson, Janet P.↗
Application of machine learning to discover new intermetallic catalysts for the hydrogen evolution and the oxygen reduction reactions
The adsorption energies for hydrogen, oxygen, and hydroxyl were calculated by means of density functional theory on the lowest energy surface of 24 pure metals and 332 binary intermetallic compounds with stoichiometries AB, A 2 B, and A 3 B taking into account the effect of biaxial elastic strains. This information was used to train two random forest regression models, one for the hydrogen adsorption and another for the oxygen and hydroxyl adsorption, based on 9 descriptors that characterized the geometrical and chemical features of the adsorption site as well as the applied strain. All the descriptors for each compound in the models could be obtained from physico-chemical databases. The random forest models were used to predict the adsorption energy for hydrogen, oxygen, and hydroxyl of ≈2700 binary intermetallic compounds with stoichiometries AB, A 2 B, and A 3 B made of metallic elements, excluding those that were environmentally hazardous, radioactive, or toxic. This information was used to search for potential good catalysts for the HER and ORR from the criteria that their adsorption energy for H and O/OH, respectively, should be close to that of Pt. Further, this investigation shows that the suitably trained machine learning models can predict adsorption energies with an accuracy not far away from density functional theory calculations with minimum computational cost from descriptors that are readily available in physico-chemical databases for any compound. Moreover, the strategy presented in this paper can be easily extended to other compounds and catalytic reactions, and is expected to foster the use of ML methods in catalysis.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Microbial mats in playa lakes and other saline habitats: Early Mars analog?
Microbial mats are cohesive benthic microbial communities which inhabit various Terra (Earth-based) environments including the marine littoral and both permanent and ephemeral (playa) saline lakes. Certain geomorphological features of Mars, such as the Margaritifer Sinus, were interpreted as ancient, dried playa lakes, presumably formed before or during the transition to the present Mars climate. Studies of modern Terran examples suggest that microbial mats on early Mars would have had the capacity to survive and propagate under environmental constraints that would have included irregularly fluctuating regimes of water activity and high ultraviolet flux. Assuming that such microbial communities did indeed inhabit early Mars, their detection during the Mars Rover Sample Return (MRSR) mission depends upon the presence of features diagnostic of the prior existence of these communities or their component microbes or, as an aid to choosing suitable landing, local exploration or sampling sites, geomorphological, sedimentological or chemical features characteristic of their playa lake habitats. Examination of modern Terran playas (e.g., the Lake Eyre basin) shows that these features span several orders of magnitude in size. While stromatolites are commonly centimeter-meter scale features, bioherms or fields of individuals may extend to larger scales. Preservation of organic matter (mats and microbes) would be favored in topographic lows such as channels or ponds of high salinity, particularly those receiving silica-rich groundwaters. These areas are likely to be located near former zones of groundwater emergence and/or where flood channels entered the paleo-playa. Fossil playa systems which may aid in assessing the applicability of this particular Mars analog include the Cambrian Observatory Hill Beds of the Officer Basin and the Eocene Wilkins Peak Member of the Green River Formation.
Bauld, John↗
Metamorphism in mesosiderites
Previous studies of mesosiderites have identified a metamorphic overprint in these meteorites. However, the effects and implications of this overprint have not yet been explored in detail. The present study documents several important textural and chemical features of the mesosiderites. The components of mesosiderites are examined, taking into account orthopyroxenites, olivine in clasts, mesosiderite mafic clasts, and metal. The characteristics of the silicate matrix of the mesosiderites is explored, and textural and chemical evidence of metamorphism is discussed, giving attention to coronas on olivine clasts, overgrowths on Mg-pyroxene clasts, rims on iron rich pyroxene grains, poikiloblasts of plagioclase, and resorption of clasts. Aspects of redox formation of merrillite are considered along with the causes and the implications of metamorphism. It is found that metamorphism has radically changed the texture of the silicate fraction of the mesosiderites.
Delaney, J. S.↗
The Search for Truly "Regolithic" Howardites
The howardite meteorites are polymict breccias of eucrite (basaltic) and diogenite (orthopyroxenitic) material [1] that likely originate from the asteroid 4 Vesta [2]. The true regolithic nature of the suite is not well defined, with previous research suggesting correlations between Ni and solar wind noble gas contents, and minimal variation in Al2O3 content [3]. Through combined petrological, compositional and noble gas analyses, we aim to better understand howardite petrological diversity, regolith formation processes on the parent asteroid, and to establish what defines a truly "regolithic" howardite. Our petrological study of 30 polymict eucrites and howardites has identified regolithic features (e.g. melt clasts, chondrite fragments), used to develop a regolith grading scheme. Bulk major element com-positional data have been collected [4], and both trace-element and noble gas analyses are underway. We expect those howardites with regolithic petrological and chemical features to have high abundances of implanted solar wind noble gases.
Cartwright, J. A.↗
Raman spectroscopic investigation of selected natural uranyl sulfate minerals
Uranyl sulfates are important constituents of uranium ores and represent a significant fraction of U(VI) minerals discovered in recent years owing to their propensity to form in mine tailings and legacy sites related to uranium exploration. Recently, we surveyed all published Raman spectra for uranium minerals and found significantly less easily accessible data available for uranyl sulfates relative to other groups of uranium minerals (Spano et al. 2023). In that work, we described average spectra for groups of uranyl minerals to understand common vibrational spectroscopic features attributable to similarities in oxyanion chemistry among U(VI) minerals, but only data for three uranyl sulfate minerals were included in the study. The present work reports on Raman spectra collected for 18 additional uranyl sulfate minerals. In conclusion, to better understand underlying structural and chemical features that give rise to spectroscopic observables, we relate differences in structural topology, charge-balancing cations, and locality of origin to features observed in the Raman spectra of selected natural uranyl sulfates.
98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗