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Direct reactions for astrophysical p-capture rates with ORRUBA and GODDESS

Understanding the nucleosynthesis and energy generation in quiescent and explosive stellar burning requires a detailed understanding of reaction rates on many unstable nuclides. Such reaction rates are often governed by the properties of low-lying, isolated proton resonances. Though direct measurements of resonance strengths are ultimately desired, and are a focus of rare isotope beam facilities worldwide, such tour-de-force experiments must be guided by indirect techniques, in order to know resonance energies, J π assignments, and estimated widths, to inform targeted measurements. Furthermore, some important low-lying resonances may be too weak for direct measurements with radioactive beams, and indirect techniques provide the only practical constraints. Additionally, there has been growing interest in the astrophysical role of isomeric states, which can influence the reaction flow in nucleosynthetic reaction networks, and hence impact the quantitative interpretation of astronomical observables, such as γ-ray signatures, and elemental and isotopic ratios. Properties of single-proton resonances can be obtained by exploiting the selectivity of direct reactions, such as single-nucleon transfer and charge-exchange reactions. Constraining proton-capture rates via direct reactions has been a focus of the astrophysics program at ORNL for over two decades, spurring the development of the ORRUBA and GODDESS detector systems. Herein, a review of recent developments in instrumentation and radioactive beam delivery (including isomeric beam experiments) is presented, along with some specific examples of astrophysically interesting sd-shell nuclides, which have been a target of recent ORRUBA and GODDESS experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

Permeability scaling relationships of volcanic tuff from core to field scale measurements

A recent chemical explosive test in P-Tunnel at the Nevada National Security Site, Nevada, USA, was conducted to better understand how signals propagate from explosions in the subsurface. A primary signal of interest is the migration of gases that can be used to differentiate chemical from nuclear explosions. Gas migration is highly dependent on the rock permeability which is notoriously difficult to determine experimentally in the field due to a potentially large dependence on the scale over which measurements are made. Here, we present pre-explosion permeability estimates to characterize the geologic units surrounding the recent test. Permeability measurements were made at three scales of increasing size: core samples (≈2 cm), borehole packer system tests (≈1 m), and a pre-shot cavity pressurization test (> 10 m) across ten tuff units. Permeability estimates based on core measurements showed little difference from borehole packer tests. However, permeability in most rock units calibrated from cavity pressurization tests resulted in higher permeability estimates by up to two orders of magnitude. Here, we demonstrate that the scale of the measurement significantly impacts the characterization efforts of hydraulic properties in volcanic tuff, and that local-scale measurements (< 10 m scale) do not incorporate enough heterogeneity to accurately predict field-scale flow and mass transport.

Environmental sciences↗

Diffusion in Melts and Magmas

Diffusion results from random motion of particles and entities. Diffusion in melts and magmas is due to thermally excited random motion of atoms, ions, and clusters, and plays a critical role in magmatic and volcanic processes. In melts and magmas, diffusion is one of the two mechanisms of mass transfer; the other being bulk flow (referred to as convection or advection). When both are present, diffusion refers to the dispersive motion relative to the mean bulk flow in a given reference frame (Richter et al. 1998). Diffusion plays critical roles in controlling magma mixing (Watson 1982; Koyaguchi 1985, 1989; Lesher 1994; Huber et al. 2009; Guo and Zhang 2020), mineral growth and dissolution rates in magmas (e.g., Watson 1982; Harrison and Watson 1983; Zhang et al. 1989; Newcombe et al. 2014; Macris et al. 2018), bubble growth and dissolution rate in magmas (Sparks 1978; Proussevitch and Sahagian 1998; Liu and Zhang 2000; Zhang 2013), and elemental and isotope fractionation during mineral 2 growth and dissolution (Jambon 1980; Richter et al. 1999, 2003; Watson and Muller 2009; Chopra et al. 2012; Watkins et al. 2014, 2017; Holycross et al. 2016, 2018). As a result, diffusion also plays an essential role in explosive volcanic eruptions and magma crystallization. Furthermore, diffusion has important applications in geospeedometry (Lasaga 1983, 1998; Zhang 1994, 2008; Trail et al. 2016; Zhang and Xu 2016). Experimental investigation of diffusion in geologically relevant silicate melts began to flourish in the 1970’s when micro-analytical measurements of diffusion profiles became available. In addition to the vast number of papers published since then, numerous books and reviews are available for diffusion in silicate melts. Hofmann et al. (1974) edited a book titled “Geochemical Transport and Kinetics” published by Carnegie Institution of Washington. This was the first landmark book summarizing the field. Lasaga and Kirkpatrick (1981) edited a book “Kinetics of Geochemical Processes” as volume 8 of the Reviews in Mineralogy (later becoming Reviews in Mineralogy and Geochemistry) series. Zhang and Cherniak (2010) edited “Diffusion in Minerals and Melts” as volume 72 of Reviews of Mineralogy and Geochemistry series, in which one chapter focused on diffusion theory, five chapters on diffusion in silicate melts (Behrens 2010; Lesher 2010; Liang 2010; Zhang and Ni 2010; Zhang et al. 2010), and other chapters were on experimental, analytical, and computational methods, and diffusion in minerals. Several textbooks covered the principles and applications of diffusion theories (Kirkaldy and Young 1987; Shewmon 1989; Cussler 1997; Lasaga 1998; Zhang 2008; Vrentas and Vrentas 2016), and two classic books covered the mathematics of diffusion (Carslaw and Jaeger 1959; Crank 1975). In preparing for this review chapter, we thought carefully about what to cover for this vast field, and decided to briefly go through the fundamentals of diffusion (more complete review can be found in Chakraborty 1995; Zhang 2008, 2010) and solutions to often-encountered 3 diffusion problems, and then focus on post-2010 diffusion studies on silicate melts and magmas. Here, melts refer to (mostly natural) silicate liquid, and magmas refer to crystal-bearing and/or bubble-bearing melts in which the continuous phase is the melt. There is a large body of work on diffusion in glasses, especially in the materials science literature, which is not covered in this review.

Youxue Zhang↗

Preferential adsorption of noble gases in zeolitic tuff with variable saturation: A modeling study of counter-intuitive diffusive-adsorptive behavior

Noble gas transport through geologic media has important applications in the prediction and characterization of measured gas signatures related to underground nuclear explosions (UNEs). Retarding processes such as adsorption can cause significant species fractionation of radionuclide gases, which has implications for measured and predicted signatures used to distinguish radioxenon originating from civilian nuclear facilities or from UNEs. Accounting for the effects of variable water saturation in geologic media on tracer transport is one of the most challenging aspects of modeling gas transport because there is no unifying relationship for the associated tortuosity changes between different rock types, and reactive transport processes such as adsorption that are affected by the presence of water likewise behave differently between gas species. In this study, we perform numerical diffusive-adsorptive transport simulations to estimate gas transport parameters associated with bench-scale laboratory diffusion cell experiments measuring breakthrough in zeolitic and non-zeolitic rocks for a gaseous mixture of xenon, krypton, and SF 6 at varying degrees of water saturation (S w ). Counter-intuitive transport behavior was observed in the zeolitic rock experiments whereby breakthrough concentrations were significantly higher when the core was partially saturated (S w = 17 %) than under dry (S w = 0 %) conditions. Breakthrough of xenon was especially retarded in the dry core – likely due to comparatively high affinity of xenon for zeolitic adsorption sites – and estimated effective diffusion coefficients for all gases were approximately an order of magnitude lower than what is predicted by porosity-tortuosity models. We propose the counter-intuitive behavior observed is because water infiltration of zeolite nanopores reduces both the adsorptive capacity of the rock and the tortuosity of connected flow paths. We developed a two-site competitive kinetic Langmuir adsorption reaction for the porous media transport simulator in order to constrain transport parameters within zeolitic tuff, where differential adsorption to zeolite and non-zeolite pores was observed. We determined that liquid saturation-dependent diffusive-adsorptive transport is affected by subtle and at times competing processes that are specific to different gases, which have a significant overall influence on effective transport parameters.

58 GEOSCIENCES↗

An Experimental Method to Measure Gaseous Diffusivity in Tight and Partially Saturated Porous Media via Continuously Monitored Mass Spectrometry

Detection of radioxenon and radioargon produced by underground nuclear explosions is one of the primary methods by which the Comprehensive Nuclear-Test–Ban Treaty (CTBT) monitors for nuclear activities. However, transport of these noble gases to the surface via barometric pumping is a complex process relying on advective and diffusive processes in a fractured porous medium to bring detectable levels to the surface. To better understand this process, experimental measurements of noble gas and chemical surrogate diffusivity in relevant lithologies are necessary. However, measurement of noble gas diffusivity in tight or partially saturated porous media is challenging due to the transparent nature of noble gases, the lengthy diffusion times, and difficulty maintaining consistent water saturation. Here, the quasi-steady-state Ney–Armistead method is modified to accommodate continuous gas sampling via effusive flow to a mass spectrometer. An analytical solution accounting for the cumulative sampling losses and induced advective flow is then derived. Experimental results appear in good agreement with the proposed theory, suggesting the presence of retained groundwater reduces the effective diffusivity of the gas tracers by 10–1000 times. Finally, by using a mass spectrometer, the method described herein is applicable to a broad range of gas species and porous media.

47 OTHER INSTRUMENTATION↗

The Zn, S, and Cl Isotope Compositions of Mare Basalts: Implications for the Effects of Eruption Style and Pressure on Volatile Element Stable Isotope Fractionation on the Moon

We compare the stable isotope compositions of Zn, S, and Cl for Apollo mare basalts to better constrain the sources and timescales of lunar volatile loss. Mare basalts have broadly elevated yet limited ranges in δ(66)Zn, δ(34)S, and δ(37)Cl_(SBC+WSC) values of 1.27 ± 0.71, 0.55 ± 0.18, and 4.1 ± 4.0‰, respectively, compared to the silicate Earth at 0.15, –1.28, and 0‰, respectively. We find that the Zn, S, and Cl isotope compositions are similar between the low- and high-Ti mare basalts, providing evidence of a geochemical signature in the mare basalt source region that is inherited from lunar formation and magma ocean crystallization. The uniformity of these compositions implies mixing following mantle overturn, as well as minimal changes associated with subsequent mare magmatism. Degassing of mare magmas and lavas did not contribute to the large variations in Zn, S, and Cl isotope compositions found in some lunar materials (i.e., 15‰ in δ(66)Zn, 60‰ in δ(34)S, and 30‰ in δ(37)Cl). This reflects magma sources that experienced minimal volatile loss due to high confining pressures that generally exceeded their equilibrium saturation pressures. Alternatively, these data indicate effective isotopic fractionation factors were near unity. Our observations of S isotope compositions in mare basalts contrast to those for picritic glasses (Saal and Hauri 2021), which vary widely in S isotope compositions from –14.0 to 1.3‰, explained by extensive degassing of picritic magmas under high-P/P_(Sat) values (>0.9) during pyroclastic eruptions. The difference in the isotope compositions of picritic glass beads and mare basalts may result from differences in effusive (mare) and explosive (picritic) eruption styles, wherein the high-gas contents necessary for magma fragmentation would result in large effective isotopic fractionation factors during degassing of picritic magmas. Additionally, in highly vesiculated basalts, the δ(34)S and δ(37)Cl values of apatite grains are higher and more variable than the corresponding bulk-rock values. The large isotopic range in the vesiculated samples is explained by late-stage low-pressure “vacuum” degassing (P/P-(Sat) ~ 0) of mare lavas wherein vesicle formation and apatite crystallization took place post-eruption. Bulk-rock mare basalts were seemingly unaffected by vacuum degassing. Degassing of mare lavas only became important in the final stages of crystallization recorded in apatite—potentially facilitated by cracks/fractures in the crystallizing flow. We conclude that samples with wide-ranging volatile element isotope compositions are likely explained by localized processes, which do not represent the bulk Moon.

Halogens↗

NASA Tech Briefs, October 2012

Topics discussed include: Detection of Chemical Precursors of Explosives; Detecting Methane From Leaking Pipelines and as Greenhouse Gas in the Atmosphere; Onboard Sensor Data Qualification in Human-Rated Launch Vehicles; Rugged, Portable, Real-Time Optical Gaseous Analyzer for Hydrogen Fluoride; A Probabilistic Mass Estimation Algorithm for a Novel 7-Channel Capacitive Sample Verification Sensor; Low-Power Architecture for an Optical Life Gas Analyzer; Online Cable Tester and Rerouter; A Three-Frequency Feed for Millimeter-Wave Radiometry; Capacitance Probe Resonator for Multichannel Electrometer; Inverted Three-Junction Tandem Thermophotovoltaic Modules; Fabrication of Single Crystal MgO Capsules; Inflatable Hangar for Assembly of Large Structures in Space; Mars Aqueous Processing System; Hybrid Filter Membrane; Design for the Structure and the Mechanics of Moballs; Pressure Dome for High-Pressure Electrolyzer; Cascading Tesla Oscillating Flow Diode for Stirling Engine Gas Bearings; Compact, Low-Force, Low-Noise Linear Actuator; Ultra-Compact Motor Controller; Extreme Ionizing-Radiation-Resistant Bacterium; Wideband Single-Crystal Transducer for Bone Characterization; Fluorescence-Activated Cell Sorting of Live Versus Dead Bacterial Cells and Spores; Nonhazardous Urine Pretreatment Method; Laser-Ranging Transponders for Science Investigations of the Moon and Mars; Ka-Band Waveguide Three-Way Serial Combiner for MMIC Amplifiers; Structural Health Monitoring with Fiber Bragg Grating and Piezo Arrays; Low-Gain Circularly Polarized Antenna with Torus-Shaped Pattern; Stereo and IMU- Assisted Visual Odometry for Small Robots; Global Swath and Gridded Data Tiling; GOES-R: Satellite Insight; Aquarius iPhone Application; Monitoring of International Space Station Telemetry Using Shewhart Control Charts; Theory of a Traveling Wave Feed for a Planar Slot Array Antenna; Time Manager Software for a Flight Processor; Simulation of Oxygen Disintegration and Mixing With Hydrogen or Helium at Supercritical Pressure; A Superfluid Pulse Tube Refrigerator Without Moving Parts for Sub-Kelvin Cooling; Sapphire Viewports for a Venus Probe; The Mobile Chamber; Electric Propulsion Induced Secondary Mass Spectroscopy; and Radiation-Tolerant DC-DC Converters.

Source record↗

Impactites of the Yaxcopoil-1 drilling site, Chicxulub impact structure: Petrography, geochemistry, and depositional environment

The impact breccias encountered in drill hole Yaxcopoil-1 (Yax-1) in the Chicxulub impact structure have been subdivided into six units. The two uppermost units are redeposited suevite and suevite, and together are only 28 m thick. The two units below are interpreted as a ground surge deposit similar to a pyroclastic flow in a volcanic regime with a fine-grained top (unit 3; 23 m thick; nuee ardente) and a coarse breccia (unit 4; approx.15 m thick) below. As such, they consist of a melange of clastic matrix breccia and melt breccia. The pyroclastic ground surge deposit and the two units 5 and 6 below are related to the ejecta curtain. Unit 5 (approx.24 m thick) is a silicate impact melt breccia, whereas unit 6 (10 m thick) is largely a carbonate melt breccia with some clastic-matrix components. Unit 5 and 6 reflect an overturning of the target stratigraphy. The suevites of units 1 and 2 were deposited after emplacement of the ejecta curtain debris. Reaction of the super-heated breccias with seawater led to explosive activity similar to phreomagmatic steam explosion in volcanic regimes. This activity caused further brecciation of melt and melt fragments. The fallback suevite deposit of units 1 and 2 is much thinner than suevite deposits at larger distances from the center of the impact structure than the 60 km of the Yax-1 drill site. This is evidence that the fallback suevite deposit (units 1 and 2) originally was much thicker. Unit 1 exhibits sedimentological features suggestive of suevite redeposition. Erosion possibly has occurred right after the IUT impact due to seawater backsurge, but erosion processes spanning thousands of years may also have been active. Therefore, the top of the 100 m thick impactite sequence at Yaxcopoil, in our opinion, is not the K/T boundary.

Dressler, Burkhard O.↗

Normalizing Flows for Microscopic Many-Body Calculations: An Application to the Nuclear Equation of State

We report that normalizing flows are a class of machine learning models used to construct a complex distribution through a bijective mapping of a simple base distribution. We demonstrate that normalizing flows are particularly well suited as a Monte Carlo integration framework for quantum many-body calculations that require the repeated evaluation of high-dimensional integrals across smoothly varying integrands and integration regions. As an example, we consider the finite-temperature nuclear equation of state. An important advantage of normalizing flows is the ability to build highly expressive models of the target integrand, which we demonstrate enables precise evaluations of the nuclear free energy and its derivatives. Furthermore, we show that a normalizing flow model trained on one target integrand can be used to efficiently calculate related integrals when the temperature, density, or nuclear force is varied. This work will support future efforts to build microscopic equations of state for numerical simulations of supernovae and neutron star mergers that employ state-of-the-art nuclear forces and many-body methods.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

New 26 P( p, γ ) 27 S Thermonuclear Reaction Rate and Its Astrophysical Implications in the rp -process

Accurate nuclear reaction rates for 26 P(p, γ) 27 S are pivotal for a comprehensive understanding of the rp-process nucleosynthesis path in the region of proton-rich sulfur and phosphorus isotopes. However, large uncertainties still exist in the current rate of 26 P(p, γ) 27 S because of the lack of nuclear mass and energy level structure information for 27 S. We reevaluate this reaction rate using the experimentally constrained 27 S mass, together with the shell model predicted level structure. It is found that the 26 P(p, γ) 27 S reaction rate is dominated by a direct capture reaction mechanism despite the presence of three resonances at E = 1.104, 1.597, and 1.777 MeV above the proton threshold in 27 S. The new rate is overall smaller than the other previous rates from the Hauser–Feshbach statistical model by at least 1 order of magnitude in the temperature range of X-ray burst interest. In addition, we consistently update the photodisintegration rate using the new 27 S mass. The influence of new rates of forward and reverse reaction in the abundances of isotopes produced in the rp-process is explored by postprocessing nucleosynthesis calculations. The final abundance ratio of 27 S/ 26 P obtained using the new rates is only 10% of that from the old rate. The abundance flow calculations show that the reaction path 26 P(p, γ) 27 S(β + ,ν) 27 P is not as important as previously thought for producing 27 P. The adoption of the new reaction rates for 26 P(p, γ) 27 S only reduces the final production of aluminum by 7.1% and has no discernible impact on the yield of other elements.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical Modeling of Drying Residual RP-1 in Rocket Engines

When a Rocket Engine shuts down under a fuel rich environment, a significant amount of unburned RP-1 is trapped In the engine. It is necessary to clean the residual RP-1 prior to subsequent firing to avoid any explosion due to detonation. The conventional method is to dry RP-1 with inert gas such as Nitrogen or Helium. It is difficult to estimate the drying time unless the engine is adequately equipped with instruments to measure the trace of RP-1 during the drying process. Such instrumentation in flight hardware is often impractical and costly. On the other hand numerical modeling of the drying process can provide a good insight for a satisfactory operation of the process. A numerical model can provide answer to questions such as a) how long it takes to dry, b) which fluid is a better dryer for RP-1, c) how to reduce drying time etc. The purpose of the present paper is to describe a numerical model of drying RP-1 trapped in a cavity with flowing nitrogen or helium. The numerical model assumes one dimensional flow of drying fluid in contact with liquid pool of RP-1. An evaporative mass transfer takes place across the contact surface.

Majumdar, Alok↗

Injector Mixing Efficiency Experiments

Various optical diagnostic techniques such as laser induce fluorescence, Raman spectroscopy, laser Doppler velocimetry, and laser light scattering have been employed to study the flowfield downstream of a single injector element in a optically accessible rocket chamber at Penn State for a number o years. These techniques have been used with both liquid and gaseous oxygen at pressures up to 1000 psia which is the limit of the facility. The purpose of the test programs at Penn State were to develop the techniques and to study the flow field from various injector designs. To extend these studies to higher pressure and ultimately to multiple injectors require the capabilities of the Marshall Space Flight Center. These studies will extend the data base available for the various injector designs to higher pressure as well as to determine the interaction between multiple injectors. During this effort the Princeton Instruments ICCD camera was set up and checked out. The functionality of the system has been thoroughly checked and the shutter compensation time was found to be not working. The controller was returned to the manufacturer for warranty repair. The sensitivity has been measured and found to be approximately 60 counts per photon at maximum gain which agrees with the test data supplied by the manufacturer. The actual value depends on wavelength. The Princeton Instruments camera was been installed in a explosion proof tube for use with the rocket combustor. A 35 mm camera was also made ready for taking still photos inside the combustor. A fiber optic was used to transmit the laser light from an argon-ion laser to the rocket combustor for the light scattering images. This images were obtained for a LOX-hydrogen swirl coax injector. Several still photos were also obtained with the 35 mm camera for these firings.

Moser, Marlow D.↗

Recent Progress in Understanding the Sun's Magnetic Dynamo

100 years ago we thought that the Sun and stars shone as a result of slow gravitational contraction over a few tens of millions of years - putting astronomers at odds with geologists who claimed that the Earth was much, much older. That mystery was solved in the 1920s and 30s with the discovery of nuclear energy (proving that the geologists had it right all along). Other scientific mysteries concerning the Sun have come and gone but three major mysteries remain: 1) How does the Sun produce sunspots with an 11-year cycle? 2) What produces the huge explosions that result in solar flares, prominence eruptions, and coronal mass ejections? and 3) Why is the Sun's outer atmosphere, the corona, so darned hot? Recent progress in solar astronomy reveals a single key to understanding all three of these mysteries.The 11-year time scale for the sunspot cycle indicates the presence of a magnetic dynamo within the Sun. For decades this dynamo was though to operate within the Sun's convection zone - the outmost 30% of the Sun where convective currents transport heat and advect magnetic lines of force. The two leading theories for the dynamo had very different models for the dynamics of the convection zone. Actual measurements of the dynamics using the techniques of helioseismology showed that both of these models had to be wrong some 20 years ago. A thin layer of strongly sheared flow at the base of the convection zone (now called the tachocline) was then taken to be the seat of the dynamo. Over the last 10 years it has become apparent that a weak meridional circulation within the convection zone also plays a key role in the dynamo. This meridional circulation has plasma rising up from the tachocline in the equatorial regions, spreading out toward the poles at a top speed of about 10-20 m/s at the surface, sinking back down to the tachocline in the polar regions, and then flowing back toward the equator at a top speed of about 1-2 m/s in the tachocline itself. Recent dynamo models that include this meridional flow now appear to have some power for predicting the size of future sunspot cycles.

Hathaway, David. H.↗

Topography of Martian central volcanoes

Results are presented of the topographic mapping of six large central volcanoes on Mars. Stereo images of the volcanoes Olympus Mons, Elysium Mons, Albor Tholus, Ceraunius Tholus, Uranius Tholus and Uranius Patera were acquired by Viking Orbiter 1, and pairs of images were compiled into topographic maps through the use of digital image measurement techniques. Olympus Mons is found to have the general form of a terrestrial basaltic shield constructed almost entirely from lava flows, however with an altitude of 20-23 km and flank slopes averaging about 4 deg; a high nominal density indicates that anomalously dense lithosphere underlies the shield. Uranius Patera is observed to be a similar feature of present relief about 2 km, with its lower flanks buried by later lava flood deposits. Elysium Mons has about 13 km of local relief with average slopes of 4.4 deg, although its upper flank slopes are significantly steeper than those of Olympus Mons, suggesting a shield volcano modified by a terminal phase of mixed volcanic activity. Albor Tholus is found to be a partially buried 3-km shield-like construct, while Ceranius and Uranius Tholus are steeper cone-like features with reliefs of about 6 and 2 km, respectively, which may be lava shield constructs modified by a terminal stage of explosive activity.

Blasius, K. B.↗

The waiting point approximation in R-process calculations

The steady flow approximation to the r-process has been used to evaluate the validity of the waiting point assumption (that, for a given charge number Z, neutron captures become balanced by neutron photodisintegrations) under a variety of conditions. The criterion for the accuracy of the approximation for any set of nuclei with the same value of Z is that the ratio of the total rate of neutron photodisintegration in those nuclei to the total rate of neutron captures should be close to unity. No set of conditions involving neutron production by helium thermonuclear reactions (at temperatures up to 10 to the 9th K) could be found for which the waiting point approximation is useful for all values of Z, and it is recommended that all such r-process calculations not use this approximation. At higher temperatures, such as those characteristic of explosive carbon burning (2 x 10 to the 9th K), the waiting point approximation is much better.

Cameron, A. G. W.↗

Reducing ion diffusion at atmospheric pressure through intermingled positive and negative ions

Increasing ion molecule reaction times for ambient ionization techniques can increase sensitivity of detection. Longer reaction times result in an increase in analyte signal relative to the reactant ion signal, however with a subsequent decrease in the total ion intensity. This loss in the total number of ions reaching the detector limits the extent to which increased reaction time can improve detection in practical applications. In this study ion loss was measured using either electric fields or gas flow to control ion transit time. Ion transit times ranged from 40 ms to 8s, which resulted in ion densities ranging from 5 x 10 6 to 2 x 10 4 ions/cm 3 , respectively. These results provide insights into practical reaction time limitations or experimental boundaries when exploring sensitivity enhancements in ambient ionization. When exploring longer reaction times with an atmospheric flow tube coupled to a mass spectrometer (AFT-MS), an additional corona discharge ionization source of the same polarity was added in an attempt to increase total ion signal, but no improvement in signal was observed. This observation suggested that there was a maximum ion density being reached by the corona discharge that could not be increased by adding more of the same polarity ions. A hypothesis was that intermingling both polarities of ions would reduce ion loss and increase the measured ion signal. When two corona discharge sources—one each of positive and negative polarity—were used simultaneously in an AFT-MS, the total ion signal of either polarity measured by the MS was approximately double the current from a single corona discharge source. An increase in the negative ion signal was also observed when ~10 parts-per-trillion vapor levels of an explosive (RDX) were introduced. In this case both the nitrate reactant ions and the RDX signal more than doubled with the addition of a corona discharge source producing positive ions. When intermingling positive and negative ions, an increase in ion current was also observed when the AFT was coupled directly to a Faraday detector or to an ion mobility spectrometer. This was the first demonstration of interfacing the AFT to an IMS. The observations and developments from this work will help in creating more portable instruments with improved sensitivity for detection of chemicals.

47 OTHER INSTRUMENTATION↗

Grating-Based Imaging-Scattering with Portable Neutron Generator

Company: Adelphi Technology, Inc. Title: Grating-Based Imaging-Scattering with Portable Neutron Generator PI: Dr. Jay Theodore Cremer, Jr. Topic: 26a Statement of the problem or situation that is being addressed. Successful plant growth depends upon an efficient and robust root system. The plant root is part of a larger system of water and microbial flows in the soil system. While much effort has been exerted to develop an imaging system for water, microbes, and roots, the problem is challenging, and no widely accepted imaging method currently exists. The optical solutions use a highly modified soil system. X-ray imaging methods are insensitive to the soft tissues in the presence of sand. Thermal neutron imaging has been often tested, but found inadequate, due to limited access and low image resolution. This project will develop a new strategy for neutron imaging of plant/soil systems. The project will allow long duration experiments in greenhouse environments and increase the image information content to the micron scale. General statement of how this problem is being addressed. Portable, rugged thermal and fast neutron sources are being developed where portable means a two-soldier team can carry the source and power unit to survey rough terrain for explosives. In the past decade, microfabrication of X-ray and thermal/cold neutron optics has opened a new imaging strategy. The standard transmission image is now supplemented with simultaneous acquisition of a phase contrast image and an image revealing scattering features. In materials science, the interferometric neutron scattering image has been used to detect early crack formation in stressed additive manufacturing test samples. The detection requires sensitivity to scattering features at the 1-micron scale. By addition of our proposed grating-optic to Adelphi Technology’s radiographic/tomographic imaging system, which is based on portable thermal neutron source, the resulting thermal neutron scatter image of the plant/soil system, will reveal details at 1-micron. Commercial Applications and Other Benefits Neutron interferometry imaging has greater penetration through large metal components compared to industrial X-ray imaging. The low-cost, large area optics developed for greenhouse applications, combined with the robust, portable neutron generator, can then be marketed as a system for inspection of additive manufactured components. In the aerospace industry, all freshly printed components are validated with X-ray CT. Scheduled maintenance again requires X-ray CT as the ability to predict aerospace component lifetime does not yet exist. Large aerospace components are only partially observed with X-ray imaging. Key Words Neutron radiography/tomography, grating interferometry, thermal neutron generator imaging, plant root and soil imaging, rhizosphere imaging, deployable neutron imaging systems Summary for Members of Congress A rugged, portable source of thermal neutrons is adapted for neutron interferometry imaging with the addition of low-cost, 3D printed optics. The first application of our proposed deployable, compact thermal neutron generator imaging system, using a grating optic, is plant root/soil science in greenhouse settings and agricultural laboratories.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

HMX detonation calculation using multi-reaction chain

Detonation of HMX has been simulated using a multi-reaction chain and species equation-of-states. A reacting flow code capable of handling arbitrary number of reactions and species has been used. Computational results are compared to the results produced by a pressure-based single reaction model (AJEX) and a temperature-based single-reaction model. Results show that the multi-reaction approach is capable of producing detonation calculations comparable to the AJEX model calculations, demonstrating that the multi-reaction approach possesses the properties required for the detonation modeling, a prerequisite of deflagration-to-detonation transition modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗