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DOE OSTI2022

Deprojection of X-ray data in galaxy clusters: confronting simulations with observations

ABSTRACT Numerical simulations with varying realism indicate an emergent principle−multiphase condensation and large cavity power occur when the ratio of the cooling time to the free-fall time (tcool/tff) falls below a threshold value close to 10. Observations indeed show cool-core signatures when this ratio falls below 20–30, but the prevalence of cores with tcool/tff ratio below 10 is rare as compared to simulations. In X-ray observations, we obtain projected spectra from which we have to infer radial gas density and temperature profiles. Using idealized models of X-ray cavities and multiphase gas in the core and 3D hydro jet-ICM simulations, we quantify the biases introduced by deprojection based on the assumption of spherical symmetry in determining tcool/tff. We show that while the used methods are able to recover the tcool/tff ratio for relaxed clusters, they have an uncertainty of a factor of 2−3 in systems containing large cavities (≳ 20 kpc). We also show that the mass estimates from these methods, in the absence of X-ray spectra close to the virial radius, suffer from a degeneracy between the virial mass (M200) and the concentration parameter (c) in the form of M200c2 ≈ constant. Additionally, the lack of soft-X-ray (≲ 0.5 keV) coverage and poor spatial resolution makes us overestimate min(tcool/tff) by a factor of few in clusters with min(tcool/tff) ≲ 5. This bias can largely explain the lack of cool-core clusters with min(tcool/tff) ≲ 5.

Sarkar, Kartick C. (ORCID:0000000277678472)↗

DOE OSTI2024

TOI-2374 b and TOI-3071 b: two metal-rich sub-Saturns well within the Neptunian desert

ABSTRACT We report the discovery of two transiting planets detected by the Transiting Exoplanet Survey Satellite (TESS), TOI-2374 b and TOI-3071 b, orbiting a K5V and an F8V star, respectively, with periods of 4.31 and 1.27 d, respectively. We confirm and characterize these two planets with a variety of ground-based and follow-up observations, including photometry, precise radial velocity monitoring and high-resolution imaging. The planetary and orbital parameters were derived from a joint analysis of the radial velocities and photometric data. We found that the two planets have masses of (57 ± 4) M⊕ or (0.18 ± 0.01) MJ, and (68 ± 4) M⊕ or (0.21 ± 0.01) MJ, respectively, and they have radii of (6.8 ± 0.3) R⊕ or (0.61 ± 0.03) RJ and (7.2 ± 0.5) R⊕ or (0.64 ± 0.05) RJ, respectively. These parameters correspond to sub-Saturns within the Neptunian desert, both planets being hot and highly irradiated, with Teq ≈ 745 K and Teq ≈ 1812 K, respectively, assuming a Bond albedo of 0.5. TOI-3071 b has the hottest equilibrium temperature of all known planets with masses between 10 and 300 M⊕ and radii less than 1.5 RJ. By applying gas giant evolution models we found that both planets, especially TOI-3071 b, are very metal-rich. This challenges standard formation models which generally predict lower heavy-element masses for planets with similar characteristics. We studied the evolution of the planets’ atmospheres under photoevaporation and concluded that both are stable against evaporation due to their large masses and likely high metallicities in their gaseous envelopes.

Hacker, Alejandro (ORCID:0009000994520181)↗

DOE OSTI2022

Developments and Challenges in the Design of the ITER DRGA

We report the ITER Diagnostic Residual Gas Analyzer (DRGA) will measure the distribution of gas species, i.e., deuterium (D), tritium (T), and impurities, in the divertor exhaust stream and in the plasma periphery, with time resolution relevant to fusion plasma–wall particle dynamics. The uniqueness of the DRGA, over previous implementations of plasma dynamics residual gas analysis, is an integrated approach, combining mass and low-temperature plasma-activated optical spectroscopy, in a differentially pumped analysis station. A further unique feature of the ITER divertor-specific DRGA is an ~8-m separation of the analysis station from the sampled pumping duct, while still maintaining a ~1-s response time for hydrogen isotopic concentrations. ITER DRGA final design activities are strongly benefiting from testing of prototypical DRGA components and methods on present fusion devices, most currently on JET and W7-X. DRGA systems are implemented on both these devices and include sensors (and pumping methods) that are directly relevant to the ITER DRGA design. The recent JET-DTE2 campaign has provided the first experience on operating the combined ITER DRGA sensors with D-T plasmas. While enhancing system design for ITER, this experience on operating devices has also revealed additional engineering challenges, which further guide the continuing final design project. Meanwhile, the recent determination that the ITER DRGA, with slight optimization, will resolve the helium isotopes well enough to support an ITER pre-DT, He-3-based heating scheme, has greatly increased ITER Research Program interest in the DRGA and its implementation well ahead of the DT phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

OGLE-2018-BLG-1185b: A Low-mass Microlensing Planet Orbiting a Low-mass Dwarf

We report an analysis of the planetary microlensing event OGLE-2018-BLG-1185, which was observed by a large number of ground-based telescopes and by the Spitzer Space Telescope. The ground-based light curve indicates a low planet–host star mass ratio of q = (6.9 ± 0.2) × 10{sup −5}, which is near the peak of the wide-orbit exoplanet mass-ratio distribution. We estimate the host star and planet masses with a Bayesian analysis using the measured angular Einstein radius under the assumption that stars of all masses have an equal probability of hosting the planet. The flux variation observed by Spitzer is marginal, but still places a constraint on the microlens parallax. Imposing a conservative constraint that this flux variation should be Δf {sub Spz} < 4 instrumental flux units yields a host mass of M{sub host}=0.37{sub −0.21}{sup +0.35} M{sub ⊙} and a planet mass of m{sub p}=8.4{sub −4.7}{sup +7.9} M{sub ⊕}. A Bayesian analysis including the full parallax constraint from Spitzer suggests smaller host star and planet masses of M{sub host}=0.091{sub −0.018}{sup +0.064} M{sub ⊙} and m{sub p}=2.1{sub −0.4}{sup +1.5} M{sub ⊕}, respectively. Future high-resolution imaging observations with the Hubble Space Telescope or Extremely Large Telescope could distinguish between these two scenarios and help reveal the planetary system properties in more detail.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Seasonal variations in composition and sources of atmospheric ultrafine particles in urban Beijing based on near-continuous measurements

Abstract. Understanding the composition and sources of atmospheric ultrafine particles (UFPs) is essential in evaluating their exposure risks. It requires long-term measurements with high time resolution, which are scarce to date. We performed near-continuous measurements of UFP composition during four seasons in urban Beijing using a thermal desorption chemical ionization mass spectrometer, accompanied by real-time size distribution measurements. We found that UFPs in urban Beijing are dominated by organic components, varying seasonally from 68 % to 81 %. CHO organics (i.e., molecules containing carbon, hydrogen, and oxygen) are the most abundant in summer, while sulfur-containing organics, some nitrogen-containing organics, nitrate, and chloride are the most abundant in winter. With the increase of particle diameter, the contribution of CHO organics decreases, while that of sulfur-containing and nitrogen-containing organics, nitrate, and chloride increases. Source apportionment analysis of the UFP organics indicates contributions from cooking and vehicle sources, photooxidation sources enriched in CHO organics, and aqueous/heterogeneous sources enriched in nitrogen- and sulfur-containing organics. The increased contributions of cooking, vehicle, and photooxidation components are usually accompanied by simultaneous increases in UFP number concentrations related to cooking emission, vehicle emission, and new particle formation, respectively, while the increased contribution of the aqueous/heterogeneous composition is usually accompanied by the growth of UFP mode diameters. The highest UFP number concentrations in winter are due to the strongest new particle formation, the strongest local primary particle number emissions, and the slowest condensational growth of UFPs to larger sizes. This study provides a comprehensive understanding of urban UFP composition and sources and offers valuable datasets for the evaluation of UFP exposure risks.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Black Hole Flares: Ejection of Accreted Magnetic Flux through 3D Plasmoid-mediated Reconnection

Magnetic reconnection can power bright, rapid flares originating from the inner magnetosphere of accreting black holes. We conduct extremely high-resolution (5376 × 2304 × 2304 cells) general-relativistic magnetohydrodynamics simulations, capturing plasmoid-mediated reconnection in a 3D magnetically arrested disk for the first time. We show that an equatorial, plasmoid-unstable current sheet forms in a transient, nonaxisymmetric, low-density magnetosphere within the inner few Schwarzschild radii. Magnetic flux bundles escape from the event horizon through reconnection at the universal plasmoid-mediated rate in this current sheet. The reconnection feeds on the highly magnetized plasma in the jets and heats the plasma that ends up trapped in flux bundles to temperatures proportional to the jet's magnetization. The escaped flux bundles can complete a full orbit as low-density hot spots, consistent with Sgr A* observations by the GRAVITY interferometer. Reconnection near the horizon produces sufficiently energetic plasma to explain flares from accreting black holes, such as the TeV emission observed from M87. The drop in the mass accretion rate during the flare and the resulting low-density magnetosphere make it easier for very-high-energy photons produced by reconnection-accelerated particles to escape. The extreme-resolution results in a converged plasmoid-mediated reconnection rate that directly determines the timescales and properties of the flare.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Time Resolved Reflectivity Measurements of Convective Clouds

National Aeronautics and Space Administration's Investigations of Convective Updrafts (INCUS) mission aims to document convective mass flux through changes in the radar reflectivity (ΔZ) in convective cores captured by a constellation of three Ka-band radars sampling the same convective cells over intervals of 30, 90, and 120 s. Here, high spatiotemporal resolution observations of convective cores from surface-based radars that use agile sampling techniques are used to evaluate aspects of the INCUS measurement approach using real observations. Analysis of several convective cells confirms that large coherent ΔZ structure with measurable signal (>5 dB) can occur in less than 30 s and are correlated with underlying convective motions. The analysis indicates that the INCUS mission radar footprint and along track sampling are adequate to capture most of the desirable ΔZ signals. This unique demonstration of reflectivity time-lapse provides the framework for estimating convective mass flux independent from Doppler techniques with future radar observations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Source Contributions to Fine Particulate Matter and Attributable Mortality in India and the Surrounding Region

Fine particulate matter (PM 2.5 ) is a leading mortality risk factor in India and the surrounding region of South Asia. This study evaluates the contribution of emission sectors and fuels to PM 2.5 mass for 29 states in India and 6 surrounding countries (Pakistan, Bangladesh, Nepal, Bhutan, Sri Lanka, and Myanmar) by combining source-specific emission estimates, stretched grid simulations from a chemical transport model, high resolution hybrid PM 2.5 , and disease-specific mortality estimates. We find that 1.02 (95% Confidence Interval (CI): 0.78-1.26) million deaths in South Asia attributable to ambient PM 2.5 in 2019 were primarily from three leading sectors: residential combustion (28%), industry (15%), and power generation (12%). Solid biofuel is the leading combustible fuel contributing to the PM 2.5 -attributable mortality (31%), followed by coal (17%), and oil and gas (14%). State-level analyses reveal higher residential combustion contributions (35%-39%) in states (Delhi, Uttar-Pradesh, Haryana) with high ambient PM 2.5 (>95 µg/m 3 ). The combined mortality burden associated with residential combustion (ambient) and household air pollution (HAP) in India is 0.72 million (95% CI:0.54-0.89) (68% attributable to HAP, 32% attributable to residential combustion). Our results illustrate the potential to reduce PM 2.5 mass and improve population health by reducing emissions from traditional energy sources across multiple sources in South Asia.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2021

The Pre-He White Dwarfs in Eclipsing Binaries. II. WASP 0843–11

We present the Transiting Exoplanet Survey Satellite (TESS) photometry and our high-resolution spectra of the EL CVn–type star 1SWASP J084356.46–113327.5 (WASP 0843–11), which consists of an F-type main-sequence (MS) star and a hotter low-mass helium white dwarf precursor (pre-He WD). In a spectral analysis, double-lined radial velocities (RVs) were obtained for the first time. From a simultaneous analysis of the TESS light and RV curves, the masses, radii, and temperatures of each component were determined to be M {sub 1} = 1.733 ± 0.031 M {sub ⊙}, M {sub 2} = 0.220 ± 0.008 M {sub ⊙}, R {sub 1} = 2.094 ± 0.013 R {sub ⊙}, R {sub 2} = 0.331 ± 0.003 R {sub ⊙}, T {sub 1} = 6960 ± 120 K, and T {sub 2} =9870 ± 310 K, respectively. According to their physical properties, the primary and secondary stars are located on the instability strips of δ Sct/γ Dor hybrids and extremely low-mass WDs, respectively. We applied multiple frequency analyses to the residual light curve after subtracting the binarity effects and detected a total of four independent frequencies. A frequency of f {sub 3} = 1.6356 day{sup −1} in the low-frequency region was reminiscent of γ Dor stars, while the other three frequencies of f {sub 2}, f {sub 15}, and f {sub 18} in the high-frequency region (150–196 day{sup −1}) are probably related to pre-He WD components. Our results demonstrate that the more massive MS primary star of WASP 0843–11 is a γ Dor pulsator, whereas the hotter secondary component is a pre-He WD with high-frequency pulsations.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

The landscape of disc outflows from black hole–neutron star mergers

ABSTRACT We investigate mass ejection from accretion discs formed in mergers of black holes (BHs) and neutron stars (NSs). The third observing run of the LIGO/Virgo interferometers provided BH–NS candidate events that yielded no electromagnetic (EM) counterparts. The broad range of disc configurations expected from BH–NS mergers motivates a thorough exploration of parameter space to improve EM signal predictions. Here we conduct 27 high-resolution, axisymmetric, long-term hydrodynamic simulations of the viscous evolution of BH accretion discs that include neutrino emission/absorption effects and post-processing with a nuclear reaction network. In the absence of magnetic fields, these simulations provide a lower limit to the fraction of the initial disc mass ejected. We find a nearly linear inverse dependence of this fraction on disc compactness (BH mass over initial disc radius). The dependence is related to the fraction of the disc mass accreted before the ouflow is launched, which depends on the disc position relative to the innermost stable circular orbit. We also characterize a trend of decreasing ejected fraction and decreasing lanthanide/actinide content with increasing disc mass at fixed BH mass. This trend results from a longer time to reach weak freezout and an increasingly dominant role of neutrino absorption at higher disc masses. We estimate the radioactive luminosity from the disc outflow alone available to power kilonovae over the range of configurations studied, finding a spread of two orders of magnitude. For most of the BH–NS parameter space, the disc outflow contribution is well below the kilonova mass upper limits for GW190814.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Surface Water Mass Transformation in the Southern Ocean: The Role of Eddies Revisited

The water mass transformation (WMT) framework describes how water of one class, such as a discrete interval of density, is converted into another class via air–sea fluxes or interior mixing processes. Here, this paper investigates how this process is modified at the surface when mesoscale ocean eddies are present, using a state-of-the-art high-resolution climate model with reasonable fidelity in the Southern Ocean. The method employed is to coarse-grain the high-resolution model fields to remove eddy signatures, and compare the results with those from the full model fields. This method shows that eddies reduced the WMT by 2–4 Sv (10%–20%; 1 Sv ≡ 10 6 m 3 s −1 ) over a wide range of densities, from typical values of 20 Sv in the smoothed case. The corresponding water mass formation was reduced by 40% at one particular density increment, namely, between 1026.4 and 1026.5 kg m −3 , which corresponds to the lighter end of the range of Indian Ocean Mode Water in the model. The effect of eddies on surface WMT is decomposed into three terms: direct modulation of the density outcrops, then indirectly, by modifying the air–sea density flux, and the combined effect of the two, akin to a covariance. It is found that the first and third terms dominate, i.e., smoothing the outcrops alone has a significant effect, as does the combination of smoothing both outcrops and density flux distributions, but smoothing density flux fields alone has little effect. Results from the coarse-graining method are compared to an alternative approach of temporally averaging the data. Implications for climate model resolution are also discussed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Impact of environmental oxygen on nanoparticle formation and agglomeration in aluminum laser ablation plumes

Here, the role of ambient oxygen gas (O 2 ) on molecular and nanoparticle formation and agglomeration was studied in laser ablation plumes. As a lab-scale surrogate to a high explosion detonation event, nanosecond laser ablation of an aluminum alloy (AA6061) target was performed in atmospheric pressure conditions. Optical emission spectroscopy and two mass spectrometry techniques were used to monitor the early to late stages of plasma generation to track the evolution of atoms, molecules, clusters, nanoparticles, and agglomerates. The experiments were performed under atmospheric pressure air, atmospheric pressure nitrogen, and 20% and 5% O 2 (balance N 2 ), the latter specifically with in situ mass spectrometry. Electron microscopy was performed ex situ to identify crystal structure and elemental distributions in individual nanoparticles. We find that the presence of ≈20% O 2 leads to strong AlO emission, whereas in a flowing N 2 environment (with trace O 2 ), AlN and strong, unreacted Al emissions are present. In situ mass spectrometry reveals that as O 2 availability increases, Al oxide cluster size increases. Nanoparticle agglomerates formed in air are found to be larger than those formed under N 2 gas. High-resolution transmission electron microscopy demonstrates that Al 2 O 3 and AlN nanoparticle agglomerates are formed in both environments; indicating that the presence of trace O 2 can lead to Al 2 O 3 nanoparticle formation. The present results highlight that the availability of O 2 in the ambient gas significantly impacts spectral signatures, cluster size, and nanoparticle agglomeration behavior. These results are relevant to understanding debris formation in an explosion event, and interpreting data from forensic investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

TRACER-VOC: Speciated Volatile Organic Compounds at the Tracking Aerosol Convection Interactions Experiment Field Campaign Report

Formation of secondary organic aerosol (SOA) is responsible for the growth of particles into cloud condensation nuclei (CCN)-relevant sizes and accounts for a substantial fraction of aerosol mass in the troposphere. Despite its wide abundance and importance, capturing SOA in regional and climate models is still challenging due to complex chemical transformations involved in production of SOA. Oxidation products of biogenic hydrocarbons, such as isoprene, monoterpenes, and sesquiterpenes account for the largest fraction of SOA mass over the continents. As such, biogenic SOA is an important source of continental CCN, and has been recently shown to nucleate ice in the deposition mode. To better account for the processes involved in SOA formation in global and regional climate models, we need better measurements of sources and transformations of volatile organic compounds (VOCs), the precursors to SOA formation in the atmosphere. Understanding aerosol-deep convection interactions is an important science driver of the Tracking Aerosol Convection Interactions Experiment (TRACER), requiring a characterization of the critical controls on aerosol properties and processes, and how those properties and processes vary spatially and temporally in the Houston area. In that environment, the atmospheric photo-oxidative chemistry that drives the evolution and transformation of aerosol properties and processes is strongly impacted by the emission of VOCs, which have both anthropogenic (e.g., industrial, urban, transportation, biomass burning) and biogenic (e.g., marine) sources in the region. Understanding (and disentangling) the complex role of VOCs in such a heterogenous region requires high-time-resolution, speciated VOC measurements that are spatially resolved. To meet these measurement requirements, the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s time-of-flight proton transfer reaction-mass spectrometer (ToF-PTR-MS) was deployed during the TRACER intensive operational period (IOP) from June to September, 2022 at the ancillary site (ANC), which was sited to provide a characterization of the rural atmospheric environment in contrast to the main site.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Early-Universe Simulations of the Cosmological Axion

Ultracompact dark matter (DM) minihalos at masses at and below 10 –12 $M_⊙$ arise in axion DM models where the Peccei-Quinn (PQ) symmetry is broken after inflation. The minihalos arise from density perturbations that are generated from the nontrivial axion self-interactions during and shortly after the collapse of the axion-string and domain-wall network. We perform high-resolution simulations of this scenario starting at the epoch before the PQ phase transition and ending at matter-radiation equality. We characterize the spectrum of primordial perturbations that are generated and comment on implications for efforts to detect axion DM. In this work, we also measure the DM density at different simulated masses and argue that the correct DM density is obtained for $m_a$ = 25.2 ± 11.0 μ eV .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Performance of the ATLAS RPC detector and Level-1 muon barrel trigger at √(s)=13 TeV

The ATLAS experiment at the Large Hadron Collider (LHC) employs a trigger system consisting of a first-level hardware trigger (L1) and a software-based high-level trigger. The L1 muon trigger system selects muon candidates, assigns them to the correct LHC bunch crossing and classifies them into one of six transverse-momentum threshold classes. The L1 muon trigger system uses resistive-plate chambers (RPCs) to generate the muon-induced trigger signals in the central (barrel) region of the ATLAS detector. The ATLAS RPCs are arranged in six concentric layers and operate in a toroidal magnetic field with a bending power of 1.5 to 5.5 Tm. The RPC detector consists of about 3700 gas volumes with a total surface area of more than 4000 m2. This paper reports on the performance of the RPC detector and L1 muon barrel trigger using 60.8 fb-1 of proton-proton collision data recorded by the ATLAS experiment in 2018 at a centre-of-mass energy of 13 TeV. Detector and trigger performance are studied using Z boson decays into a muon pair. Measurements of the RPC detector response, efficiency, and time resolution are reported. Measurements of the L1 muon barrel trigger efficiencies and rates are presented, along with measurements of the properties of the selected sample of muon candidates. Measurements of the RPC currents, counting rates and mean avalanche charge are performed using zero-bias collisions. Finally, RPC detector response and efficiency are studied at different high voltage and front-end discriminator threshold settings in order to extrapolate detector response to the higher luminosity expected for the High Luminosity LHC.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

GALAXY CRUISE: Spiral and ring classifications for bright galaxies at z = 0.01–0.3

Abstract This paper presents a morphology classification catalog of spiral and ring features of 59854 magnitude-limited galaxies (r < 17.8 mag, and additional 628005 subsamples down to r = 20 mag) at z = 0.01–0.3 based on the Third Public Data Release of the Hyper Suprime-Cam Subaru Strategic Program. We employ two deep-learning classifiers to determine the spiral and ring structures separately based on GALAXY CRUISE Data Release 1, which is dedicated to Hyper Suprime-Cam data. The number of spiral and ring galaxies contain 31864 and 8808 sources, respectively, which constitute 53% and 15% of the sample. A notable result of this study is the construction of a large sample of ring galaxies utilizing high-quality imaging data delivered by the Subaru Hyper Suprime-Cam. However, the accurate identification of ring galaxies remains difficult at a limited seeing resolution. Additionally, we confirm that most spiral galaxies are located on the star-forming main sequence, whereas ring galaxies preferentially reside in the green valley at stellar masses of 1010.5–1011 solar mass. Furthermore, decreasing fractions of spiral and ring galaxies are observed toward the centers of the galaxy clusters. The obtained morphology catalog is publicly available on the GALAXY CRUISE website.

Shimakawa, Rhythm (ORCID:0000000344422750)↗

DOE OSTI2024

The Evolution of Galaxies and Clusters at High Spatial Resolution with Advanced X-ray Imaging Satellite (AXIS)

Stellar and black hole feedback heat and disperse surrounding cold gas clouds, launching gas flows off circumnuclear and galactic disks, producing a dynamic interstellar medium. On large scales bordering the cosmic web, feedback drives enriched gas out of galaxies and groups, seeding the intergalactic medium with heavy elements. In this way, feedback shapes galaxy evolution by shutting down star formation and ultimately curtailing the growth of structure after the peak at redshift 2–3. To understand the complex interplay between gravity and feedback, we must resolve both the key physics within galaxies and map the impact of these processes over large scales, out into the cosmic web. The Advanced X-ray Imaging Satellite (AXIS) is a proposed X-ray probe mission for the 2030s with arcsecond spatial resolution, large effective area, and low background. AXIS will untangle the interactions of winds, radiation, jets, and supernovae with the surrounding interstellar medium across the wide range of mass scales and large volumes driving galaxy evolution and trace the establishment of feedback back to the main event at cosmic noon. This white paper is part of a series commissioned for the AXIS Probe mission concept; additional AXIS white papers can be found at the AXIS website.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Transient Catalytic Reaction Analysis Through Signal Defragmentation

The Temporal Analysis of Products (TAP) pulse response technique provides valuable insights into catalytic function and reaction kinetics. However, complex fragmentation patterns in the TAP mass spectrometry signals can complicate precise quantification, particularly when analyzing transient gas flux data typical of TAP experiments. This work demonstrates a standard defragmentation method that deconvolves transient TAP signals while maintaining the temporal resolution of the experiment. First, the integrals of calibration gas fluxes are used to determine the fingerprint fragmentation pattern and construct a fragmentation matrix. This matrix is then used to defragment experimental flux data at each recorded time point via a non-negative least squares regression. The effectiveness of this method is demonstrated using virtual data and control experiments with a TAP reactor system. The defragmentation is then applied to the more complex propane dehydrogenation reaction on a chromia/alumina catalyst, which can contain up to ten significant gas species in the reactor outlet. Initial propane pulsing reveals an induction period during which propane is fully oxidized to CO2, followed by partial reduction to CO. Afterwards, there is a transition in chemistries towards coking and propylene production. Our example illustrates a practical method for the accurate determination of the time-dependent reactant/product concentrations and rates for a thorough analysis of the propane dehydrogenation kinetics. This approach can be broadly applied to any transient mass spectrometry experiment for a better understanding of catalyst-reaction dynamics.

36 - MATERIALS SCIENCE↗