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At least 163 records · Page 9

New methods for trace analysis of gamma-irradiated pentaerythritol tetranitrate

High explosives (HEs) are used in a diverse range of applications in which they could be exposed to various radiation levels that may cause potential chemical changes. This study further evaluated pentaerythritol tetranitrate (PETN) that was previously aged with a low-level 2 kGy dose of gamma irradiation in order to understand chemical changes caused by irradiation. Both unirradiated PETN and gamma-irradiated PETN were analyzed using ultra high-pressure liquid chromatography coupled to quadrupole time of flight mass spectrometry (UHPLC-QTOF). The resulting data were processed in a non-targeted manner using Fisher's ratio analysis and multivariate curve resolution-alternating least squares (MCR-ALS) to aid in discovery and identification of the chemical changes brought about by irradiation without a priori knowledge. The application of using UHPLC-QTOF in combination with chemometric techniques for the analysis of irradiated samples has not previously been performed. Here, in this work, we show how to use this method to provide chemical information that would otherwise not be discernible, such as the discovery of degradation of the various homologues of PETN. Major differences identified with radiolytic aging of the PETN sample included decomposition products that resulted from the degradation of the trigger linkage – the O–NO 2 bonds – resulting in the formation of alcohol and aldehyde groups. Similar degradation was also observed in the PETN homologues as well as interconversion from one homologue to another.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Supernova shock revival by nuclear reactions

We performed hydrodynamic simulations of core collapse and bounce for a progenitor model with 15.0 solar mass, using ZEUS-MP code in axi-symmetric coordinate. Our numerical code is equipped with a nuclear reaction network including 13 alpha nuclei form {sup 4}He to {sup 56}Ni to investigate the potential role played by nuclear reactions in reviving a stalled shock wave at the central region of core-collapse supernovae. We found that the energy released by nuclear reactions is significantly helpful in accelerating shock waves and is able to produce energetic explosion even if inputted neutrino luminosity is low.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for Presolar Materials and Isotopically Anomalous Diffuse Insoluble Organic Matter in Samples From Asteroid 101955 Bennu

Carbonaceous asteroids allow us to study the original materials that formed the planets in the protoplanetary disk. They contain organic matter and (sub-)micrometer-size dust grains, called presolar grains, that condensed in the circumstellar envelopes of evolved stars and the ejecta of stellar explosions, such as novae and supernovae, before the formation of our Solar System. The isotopically anomalous organics are thought to have formed in the interstellar medium and the early Solar System. Whereas presolar grains provide insight into the building blocks of our Solar System, studying organics can help us understand the origin of life on Earth. These organics might have contributed to ingredients that helped life emerge. The return of samples from asteroid 101955 Bennu by NASA’s Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer (OSIRIS-REx) mission gives us a new opportunity to elucidate the formation mechanism(s) and evolution of organics, as well as the abundance and distribution presolar grains in carbonaceous asteroids. Here, we report on our ongoing work to characterize the isotopic and chemical compositions, microstructure, distribution, and abundance of insoluble organic matter (IOM) and presolar grains in Bennu samples. This work supports hypotheses 2 and 3 of the OSIRIS-REx Sample Analysis Plan.

P. Haenecour↗

Direct Real-Time Detection of RDX Vapors Under Ambient Conditions

The results in this manuscript represent a demonstration of RDX vapor detection in real time at ambient temperature without sample pre-concentration. The detection of vapors from the low volatility explosive compound RDX was achieved through selective atmospheric pressure chemical ionization using nitrate reactant ions (NO3-), and NO3-•HNO3 adducts generated in an electrical discharge source. The RDX vapors were ionized in a reaction region, which provided a variable (up to several seconds) reaction time. The reaction times were controlled by either flow in an atmospheric flow tube (AFT) or by electric field in an atmospheric drift tube (ADT). Both AFT and ADT were interfaced to a quadrupole mass spectrometer for ion detection and identification. Recorded signals were observed for RDX concentrations below 25 ppq using selected ion monitoring (SIM) of the RDX-nitrate adduct at m/z 284.

Ewing, Robert G↗

EVIDENCE THAT GAMMA-RAY BURST 130702A EXPLODED IN A DWARF SATELLITE OF A MASSIVE GALAXY

GRB 130702A is a nearby long-duration gamma-ray burst (LGRB) discovered by the Fermi satellite whose associated afterglow was detected by the Palomar Transient Factory. Subsequent photometric and spectroscopic monitoring has identified a coincident broad-lined Type Ic supernova (SN), and nebular emission detected near the explosion site is consistent with a redshift of z = 0.145. The SN-GRB exploded at an offset of {approx}7.''6 from the center of an inclined r = 18.1 mag red disk-dominated galaxy, and {approx}0.''6 from the center of a much fainter r = 23 mag object. We obtained Keck-II DEIMOS spectra of the two objects and find a 2{sigma} upper limit on their line-of-sight velocity offset of {approx}<60 km s{sup -1}. If we calculate the inclination angle of the massive red galaxy from its axis ratio and assume that its light is dominated by a very thin disk, the explosion would have a {approx}60 kpc central offset, or {approx}9 times the galaxy's half-light radius. A significant bulge or a thicker disk would imply a higher inclination angle and greater central offset. The substantial offset suggests that the faint source is a separate dwarf galaxy. The star-formation rate of the dwarf galaxy is {approx}0.05 M{sub Sun} yr{sup -1}, and we place an upper limit on its oxygen abundance of 12 + log(O/H) < 8.16 dex. The identification of an LGRB in a dwarf satellite of a massive, metal-rich primary galaxy suggests that recent detections of LGRBs spatially coincident with metal-rich galaxies may be, in some cases, superpositions.

79 ASTRONOMY AND ASTROPHYSICS↗

TPSAS-NF1676L-13210-DND

Pumice rafts are an occasional byproduct of explosive volcanic eruptions that occur near bodies of water. Rafts can be tens of kilometers across and are a hazard to shipping, as the pumice can block the seawater intake valves for ships’ engine cooling systems. In particular, this research focuses on pumice rafts that emanated from the eruptions near Tonga in 2006, Yemen in 2007, and the Chile-Argentina border in 2011 using data from Landsat 5 & 7, MODIS onboard the Aqua and Terra satellites, and ALI aboard the EO-1 satellite. False color composites were created to facilitate visual identification of pumice rafts in high resolution images. Additionally, a material of interest subpixel classification was implemented to automatically demarcate the extent of the pumice rafts. MODIS was found to be the most useful sensor for tracking larger rafts in the open ocean, while Landsat 5 & 7 and ALI were more effective in tracking smaller rafts in lakes and rivers. The pumice rafts generally took on a temperature between that of the ambient air and water temperature. The data collected for this study has been compiled to provide an effective tool for further investigation of pumice rafts.

Paula Chojnacki↗

Gas diffusion through variably-water-saturated zeolitic tuff: Implications for transport following a subsurface nuclear event

Noble gas transport through geologic media has important applications in the characterization of underground nuclear explosions (UNEs). Without accurate transport models, it is nearly impossible to distinguish between xenon signatures originating from civilian nuclear facilities and UNEs. Understanding xenon transport time through the earth is a key parameter for interpreting measured xenon isotopic ratios. One of the most challenging aspects of modeling gas transport time is accounting for the effect of variable water saturation of geological media. In this study, we utilize bench-scale laboratory experiments to characterize the diffusion of krypton, xenon, and sulfur hexafluoride (SF6) through intact zeolitic tuff under different saturations. Here, we demonstrate that the water in rock cores with low partial saturation dramatically affects xenon transport time compared to that of krypton and SF6 by blocking sites in zeolitic tuff that preferentially adsorb xenon. This leads to breakthrough trends that are strongly influenced by the degree of the rock saturation. Xenon is especially susceptible to this phenomenon, a finding that is crucial to incorporate in subsurface gas transport models used for nuclear event identification. We also find that the breakthrough of SF6 diverges significantly from that of noble gases within our system. When developing field scale models, it is important to understand how the behavior of xenon deviates from chemical tracers used in the field, such as SF6 (Carrigan et al., 1996). These new insights demonstrate the critical need to consider the interplay between rock saturation and fission product sorption during transport modeling, and the importance of evaluating specific interactions between geomedia and gases of interest, which may differ from geomedia interactions with chemical tracers.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Learning Physically Interpretable Atmospheric Models From Data With WSINDy

The multiscale and turbulent nature of Earth's atmosphere has historically rendered accurate weather modeling a hard problem. Recently, there has been an explosion of interest surrounding data-driven approaches to weather modeling, which in many cases show improved forecasting accuracy and computational efficiency when compared to traditional methods. However, many of the current data-driven approaches employ highly parameterized neural networks, often resulting in uninterpretable models and limited gains in scientific understanding. In this work, we address the interpretability problem by explicitly discovering partial differential equations governing atmospheric phenomena, identifying symbolic mathematical models with direct physical interpretations. The purpose of this paper is to demonstrate that, in particular, the weak-form sparse identification of nonlinear dynamics (WSINDy) algorithm can learn effective atmospheric models from both simulated and assimilated data. Our approach adapts the standard WSINDy algorithm to work with high-dimensional fluid data of arbitrary spatial dimension.

58 GEOSCIENCES↗

LINE IDENTIFICATIONS OF TYPE I SUPERNOVAE: ON THE DETECTION OF Si II FOR THESE HYDROGEN-POOR EVENTS

Here we revisit line identifications of type I supernovae (SNe I) and highlight trace amounts of unburned hydrogen as an important free parameter for the composition of the progenitor. Most one-dimensional stripped-envelope models of supernovae indicate that observed features near 6000–6400 Å in type I spectra are due to more than Si ii λ6355. However, while an interpretation of conspicuous Si ii λ6355 can approximate 6150 Å absorption features for all SNe Ia during the first month of free expansion, similar identifications applied to 6250 Å features of SNe Ib and Ic have not been as successful. When the corresponding synthetic spectra are compared with high-quality timeseries observations, the computed spectra are frequently too blue in wavelength. Some improvement can be achieved with Fe ii lines that contribute redward of 6150 Å; however, the computed spectra either remain too blue or the spectrum only reaches a fair agreement when the rise-time to peak brightness of the model conflicts with observations by a factor of two. This degree of disagreement brings into question the proposed explosion scenario. Similarly, a detection of strong Si ii λ6355 in the spectra of broadlined Ic and super-luminous events of type I/R is less convincing despite numerous model spectra used to show otherwise. Alternatively, we suggest 6000–6400 Å features are possibly influenced by either trace amounts of hydrogen or blueshifted absorption and emission in Hα, the latter being an effect which is frequently observed in the spectra of hydrogen-rich, SNe II.

79 ASTRONOMY AND ASTROPHYSICS↗

Synoptic/planetary-scale interactions and blocking over the North Atlantic Ocean

Work was completed on the height tendency diagnoses of two extratropical cyclones that occurred upstream from the blocking event studied previously. One developed explosively over water 60 to 36 hours before the block first appeared, while the second developed explosively over the southeastern United States during the time of block formation. In both cases, both vorticity and temperature advection were consistently important forcing mechanisms. This is in contrast to the block itself, in which vorticity advection was easily the dominant forcing mechanism. Latent heat release was also significant, accounting for about 50 percent of the total height falls in the cyclone below 850 mb. Estimates of latent heat release were greatly enhanced by coupling parameterized estimates with values derived from GOES IR data using an algorithm developed by Marshall's F. R. Robertson. Among the difficulties encountered in this work was the identification of an appropriate lower boundary condition for the solution of the height tendency equation. The zero value currently used tends to yield underestimates of the lower troposphere height tendencies. To address this problem a new diagnostic technique was developed in cooperation with Dr. Peter Zwack of the University of Quebec at Montreal. Based on an equation Dr. Zwack had previously developed (the Zwack-Okossi development equation), researchers now have a relationship that is completely consistent with the height tendency equation and provides estimates of lower boundary geostrophic vorticity or height tendencies. Finally, comparison of the SAT (satellite data) and NOSAT (no satellite data) analyses is progressing well. The present focus is on both the new diagnostic technique and the SAT/NOSAT comparisons. The former is being tested on the southeastern United States cyclone case previously mentioned and compared with the height tendency diagnoses already completed. The latter are being examined for the blocking case described in the publications cited in this summary. In addition to obtaining statistics that will allow general comparison of the two analyses, it will be possible to determine whether conclusions about the dynamics of the block development are influenced by the analysis set used.

Smith, Phillip J.↗

Geologic Mapping of the Chaac-Camaxtli Region of Io from Galileo Imaging Data

We produced a geologic/geomorphologic map of the Chaac-Camaxtli region of Io's leading anti-Jovian hemisphere using regional resolution ( 186 m/pixel) Galileo imaging data collected during orbit I27 (February 2000) integrated with lower resolution (1.4 km/pixel) color data, along with other Galileo imaging and spectral data. This is the first regional map of Io made from Galileo data. Nine color and geomorphologic units have been mapped, and the close proximity of dark and various colored bright materials suggests that there is an intimate interaction between (presumably) silicate magmas and sulfur-bearing volatile materials that produced a variety of explosive and effusive deposits in the recent geologic past. This region of Io is dominated by 11 volcanic centers, most of which are paterae that are analogous in morphology to terrestrial calderas but larger in size. Mapping of structural features indicates that most of the active regions occur in topographic lows, and less active or inactive paterae are associated with topographic highs. This indicates that crustal thickness variations influence magma access to the surface. Surface changes in this region since the Voyager flybys are relatively minor (additional bright and dark flows, color changes), although several active vents have migrated within paterae. This observation, along with the identification of the relatively regular spacing of paterae (approx. 100 - 150 km) along a line, may indicate there are multiple interlacing fractures in the crust that serve as magma conduits from the interior. This connection between volcanism and tectonism may have implications for tidal heating mechanisms and their effect on Io's lithosphere. Some inactive patera floors may be evolving into bright plains material, which, if composed of silicates, might explain the strength of Io's crust to support steep patera walls and tall mountains.

Williams, David A.↗

Geologic Mapping of the Chaac-Camaxtli Region of Io from Galileo Imaging Data

We produced a geologic/geomorphologic map of the Chaac-Camaxtli region of Io's leading anti-Jovian hemisphere using regional resolution (186 m/pixel) Galileo imaging data collected during orbit I27 (February 2000) integrated with lower resolution (1.4 km/pixel) color data, along with other Galileo imaging and spectral data. This is the first regional map of Io made from Galileo data. Nine color and geomorphologic units have been mapped, and the close proximity of dark and various colored bright materials suggests that there is an intimate interaction between (presumably) silicate magmas and sulfur-bearing volatile materials that produced a variety of explosive and effusive deposits in the recent geologic past. This region of Io is dominated by 11 volcanic centers, most of which are paterae that are analogous in morphology to terrestrial calderas but larger in size. Mapping of structural features indicates that most of the active regions occur in topographic lows, and less active or inactive paterae are associated with topographic highs. This indicates that crustal thickness variations influence magma access to the surface. Surface changes in this region since the Voyager flybys (1979) are relatively minor (additional bright and dark flows, color changes), although several active vents have migrated within paterae. This observation, along with the identification of the relatively regular spacing of paterae (approx. 100- 150 km) along a line, may indicate there are multiple interlacing fractures in the crust that serve as magma conduits from the interior. This connection between volcanism and tectonism may have implications for tidal heating mechanisms and their effect on Io's lithosphere. Some inactive patera floors may be evolving into bright plains material, which, if composed of silicates, might explain the strength of Io's crust to support steep patera walls and tall mountains.

Williams, David A.↗

Artificial lunar impact craters: Four new identifications, part I

The Apollo 16 panoramic camera photographed the impact locations of the Ranger 7 and 9 spacecraft and the S-4B stage of the Apollo 14 Saturn launch vehicle. Identification of the Ranger craters was very simple because each photographed its target point before impact. Identification of the S-4B impact crater proved to be a simple matter because the impact location, as derived from earth-based tracking, displayed a prominent and unique system of mixed light and dark rays. By using the criterion of a dark ray pattern, a reexamination of the Apollo 14 500 mm Hasselblad sequence taken of the Apollo 13 S-4B impact area was made. This examination quickly led to the discovery of the ray system and the impact crater. The study of artificial lunar impact craters, ejecta blankets, and ray systems provides the long-needed link between the various experimental terrestrial impact and explosion craters, and the naturally occurring impact craters on the moon. This elementary study shows that lunar impact crater diameters are closely predictable from a knowledge of the energies involved, at least in the size range considered, and suggests that parameters, such as velocity, may have a profound effect on crater morphology and ejecta blanket albedo.

Whitaker, E. A.↗

Molecular-level Design of Heterogeneous Chiral Catalysts

Understanding and controlling selectivity is one of the key challenges in heterogeneous catalysis. Among problems in catalytic selectivity enantioselectivity is perhaps the most the most challenging. The primary goal of the project on “Molecular-level Design of Heterogeneous Chiral Catalysts” is to understand the origins of enantioselectivity on chiral heterogeneous surfaces and catalysts. The efforts of the project team include preparation of chiral surfaces, characterization of chiral surfaces, experimental detection of enantioselectivity on such surfaces and computational modeling of the interactions of chiral probe molecules with chiral surfaces. Over the course of the project period the team of PI’s has made some of the most detailed and insightful studies of enantioselective chemistry on chiral surfaces. This includes the measurement of fundamental interactions and reaction mechanisms of chiral molecules on chiral surfaces and leads all the way to rationale design and synthesis of chiral surfaces and materials for enantioselective surface chemistry. The PI’s have designed and prepared new materials for enantioselective adsorption and catalysis. Naturally Chiral Surfaces • Completion of a systematic study of the enantiospecific desorption kinetics of R-3-methylcyclohexanone (R-3-MCHO) on 9 achiral and 7 enantiomeric pairs of chiral Cu surfaces with orientations that span the stereographic triangle. • Discovery of super-enantioselective tartaric acid (TA) and aspartic acid (Asp) decomposition as a result of a surface explosion mechanism on Cu(643)R&S. Systematic study of super-enantiospecific TA and Asp decomposition on five enantiomeric pairs of chiral Cu surfaces. • Initial observation of the enantiospecific desorption of R- and S-propylene oxide (PO) from Cu(100) imprinted with {3,1,17} facets by L-lysine adsorption. Templated Chiral Surfaces • Initial observation of the enantiospecific desorption of R- and S-PO from Pt(111) and Pd(111) modified by a variety of chiral templates. • Demonstrated enantioselective separation of racemic PO on chemically synthesized chiral gold nanoparticles. • Discovery of zwitterionic adsorption states of amino acids on Pd(111). • First structure determinations of adsorbed amino acids and identification of tetrameric chiral template structures. • Exploration of the enantiospecific interaction of PO and R-3-MCHO adsorption on chirally modified Cu(100), Cu(110) and Cu(111). One-to-One Interactions • Determination of cinchona orientation on Pt surfaces in situ at the solid-liquid interface using FT-IRAS. • Systematic study of the influence of solution properties on the adsorption of modified cinchonas alkaloids onto Pt surfaces. • Correlation of cinchona adsorption with catalytic activity, as affected by concentration, the nature of the solvent, and dissolved gases in the liquid phase. • Measurement of enantioselective chemisorption on 1-(1-naphthyl) ethylamine (NEA) modified Pt(111) and Pd(111) surfaces. • Imaging of chiral docking complexes between NEA and methyl pyruvate on Pd(111). Chiral Catalyst Synthesis • Anchoring of cinchona alkaloid to surfaces • Synthesis of chiral Au nanoparticles and demonstration of their enantiospecific interactions with R- and S-PO. • Elucidation of the driving forces for chiral imprinting of Cu(100) by L- and D-lysine to form Cu(3,1,17)R&S facets.

36 MATERIALS SCIENCE↗

Possibility to Identify the Contributions from Collapsars, Supernovae, and Neutron Star Mergers from the Evolution of the r-process Mass Abundance Distribution

We study the evolution of rapid neutron-capture process (r-process) isotopes in the galaxy. We analyze relative contributions from core-collapse supernovae (CCSNe), neutron star mergers, and collapsars under a range of astrophysical conditions and nuclear input data. Here we show that, although the r-process in each of these sites can lead to a similar (universal) elemental distribution, the detailed isotopic abundances can differ from one site to another. These differences may allow for the identification of which sources contributed to the early evolution of r-process material in the galaxy. Our simulations suggest that the early evolution was dominated by CCSNe and collapsar r-process nucleosynthesis. This conclusion may be testable if the next generation of observatories can deduce isotopic r-process abundances.

79 ASTRONOMY AND ASTROPHYSICS↗

Illuminating the North Korean nuclear explosion test in 2017 using remote infrasound observations

North Korea conducted its sixth underground nuclear explosion test (mb 6.3) on 2017 September 3. The underground explosion produced substantial low-frequency atmospheric waves, which were detected by infrasound arrays located up to a distance of 566 km. These infrasound waves are formed by the conversion of seismic energy to acoustic energy across the lithosphere–atmosphere interface. While infrasound records at regional distances produce estimates of ground motion amplitude over spatially extended regions covering about 26 500 km 2 , 3-D full seismo-acoustic simulations within the lithosphere and atmosphere provide quantitative information about seismo-acoustic energy partitioning. Our results demonstrate the capability of remote infrasound observations combined with 3-D propagation modelling to further develop discrimination methods for underground sources. These results contribute to enhance the confidence of source identification and characterization in nuclear test monitoring research, which is essential for the enforcement of the Comprehensive Nuclear-Test-Ban Treaty.

58 GEOSCIENCES↗

Latent space dynamics identification for interface tracking with application to shock-induced pore collapse

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.

Gaussian process↗

Big Data Analytics for Demand Response: Clustering Over Space and Time

The pervasive deployment of advanced sensing infrastructure in Cyber-Physical systems, such as the Smart Grid, has resulted in an unprecedented data explosion. Such data exhibit both large volumes and high velocity characteristics, two of the three pillars of Big Data, and have a time-series notion as datasets in this context typically consist of successive measurements made over a time interval. Time-series data can be valuable for data mining and analytics tasks such as identifying the “right” customers among a diverse population, to target for Demand Response programs. However, time series are challenging to mine due to their high dimensionality. In this paper, we motivate this problem using a real application from the smart grid domain. We explore novel representations of time-series data for BigData analytics, and propose a clustering technique for determining natural segmentation of customers and identification of temporal consumption patterns. Our method is generizable to large-scale, real-world scenarios, without making any assumptions about the data. We evaluate our technique using real datasets from smart meters, totaling ~ 18,200,000 data points, and show the efficacy of our technique in efficiency detecting the number of optimal number of clusters.

97 MATHEMATICS AND COMPUTING↗