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A Model-based Approach to Reactive Self-Configuring Systems

This paper describes Livingstone, an implemented kernel for a self-reconfiguring autonomous system, that is reactive and uses component-based declarative models. The paper presents a formal characterization of the representation formalism used in Livingstone, and reports on our experience with the implementation in a variety of domains. Livingstone's representation formalism achieves broad coverage of hybrid software/hardware systems by coupling the concurrent transition system models underlying concurrent reactive languages with the discrete qualitative representations developed in model-based reasoning. We achieve a reactive system that performs significant deductions in the sense/response loop by drawing on our past experience at building fast prepositional conflict-based algorithms for model-based diagnosis, and by framing a model-based configuration manager as a prepositional, conflict-based feedback controller that generates focused, optimal responses. Livingstone automates all these tasks using a single model and a single core deductive engine, thus making significant progress towards achieving a central goal of model-based reasoning. Livingstone, together with the HSTS planning and scheduling engine and the RAPS executive, has been selected as the core autonomy architecture for Deep Space One, the first spacecraft for NASA's New Millennium program.

Williams, Brian C.↗

Multi-Level Experimental and Analytical Evaluation of Two Composite Energy Absorbers

Two composite energy absorbers were developed and evaluated at NASA Langley Research Center through multi-level testing and simulation performed under the Transport Rotorcraft Airframe Crash Testbed (TRACT) research program. A conical-shaped energy absorber, designated the conusoid, was evaluated that consisted of four layers of hybrid carbon-Kevlar plain weave fabric oriented at [+45 deg/-45 deg/-45 deg/+45 deg] with respect to the vertical, or crush, direction. A sinusoidal-shaped energy absorber, designated the sinusoid, was developed that consisted of hybrid carbon-Kevlar plain weave fabric face sheets, two layers for each face sheet oriented at +/-45deg with respect to the vertical direction and a closed-cell ELFOAM P200 polyisocyanurate (2.0-lb/cu ft) foam core. The design goal for the energy absorbers was to achieve average floor-level accelerations of between 25- and 40-g during the full-scale crash test of a retrofitted CH-46E helicopter airframe, designated TRACT 2. Variations in both designs were assessed through dynamic crush testing of component specimens. Once the designs were finalized, subfloor beams of each configuration were fabricated and retrofitted into a barrel section of a CH-46E helicopter. A vertical drop test of the barrel section was conducted onto concrete to evaluate the performance of the energy absorbers prior to retrofit into TRACT 2. The retrofitted airframe was crash tested under combined forward and vertical velocity conditions onto soil, which is characterized as a sand/clay mixture. Finite element models were developed of all test articles and simulations were performed using LS-DYNA, a commercial nonlinear explicit transient dynamic finite element code. Test-analysis results are presented for each energy absorber as comparisons of time-history responses, as well as predicted and experimental structural deformations and progressive damage under impact loading for each evaluation level.

Jackson, Karen E.↗

Digital Beamforming Scatterometer

This paper discusses scatterometer measurements collected with multi-mode Digital Beamforming Synthetic Aperture Radar (DBSAR) during the SMAP-VEX 2008 campaign. The 2008 SMAP Validation Experiment was conducted to address a number of specific questions related to the soil moisture retrieval algorithms. SMAP-VEX 2008 consisted on a series of aircraft-based.flights conducted on the Eastern Shore of Maryland and Delaware in the fall of 2008. Several other instruments participated in the campaign including the Passive Active L-Band System (PALS), the Marshall Airborne Polarimetric Imaging Radiometer (MAPIR), and the Global Positioning System Reflectometer (GPSR). This campaign was the first SMAP Validation Experiment. DBSAR is a multimode radar system developed at NASA/Goddard Space Flight Center that combines state-of-the-art radar technologies, on-board processing, and advances in signal processing techniques in order to enable new remote sensing capabilities applicable to Earth science and planetary applications [l]. The instrument can be configured to operate in scatterometer, Synthetic Aperture Radar (SAR), or altimeter mode. The system builds upon the L-band Imaging Scatterometer (LIS) developed as part of the RadSTAR program. The radar is a phased array system designed to fly on the NASA P3 aircraft. The instrument consists of a programmable waveform generator, eight transmit/receive (T/R) channels, a microstrip antenna, and a reconfigurable data acquisition and processor system. Each transmit channel incorporates a digital attenuator, and digital phase shifter that enables amplitude and phase modulation on transmit. The attenuators, phase shifters, and calibration switches are digitally controlled by the radar control card (RCC) on a pulse by pulse basis. The antenna is a corporate fed microstrip patch-array centered at 1.26 GHz with a 20 MHz bandwidth. Although only one feed is used with the present configuration, a provision was made for separate corporate feeds for vertical and horizontal polarization. System upgrades to dual polarization are currently under way. The DBSAR processor is a reconfigurable data acquisition and processor system capable of real-time, high-speed data processing. DBSAR uses an FPGA-based architecture to implement digitally down-conversion, in-phase and quadrature (I/Q) demodulation, and subsequent radar specific algorithms. The core of the processor board consists of an analog-to-digital (AID) section, three Altera Stratix field programmable gate arrays (FPGAs), an ARM microcontroller, several memory devices, and an Ethernet interface. The processor also interfaces with a navigation board consisting of a GPS and a MEMS gyro. The processor has been configured to operate in scatterometer, Synthetic Aperture Radar (SAR), and altimeter modes. All the modes are based on digital beamforming which is a digital process that generates the far-field beam patterns at various scan angles from voltages sampled in the antenna array. This technique allows steering the received beam and controlling its beam-width and side-lobe. Several beamforming techniques can be implemented each characterized by unique strengths and weaknesses, and each applicable to different measurement scenarios. In Scatterometer mode, the radar is capable to.generate a wide beam or scan a narrow beam on transmit, and to steer the received beam on processing while controlling its beamwidth and side-lobe level. Table I lists some important radar characteristics

Rincon, Rafael F.↗

A Mössbauer Spectroscopy Investigation of Nickel‐Zinc Ferrites Synthesized by a Self‐Combustion Method for Soft Magnetic Core Applications

Soft ferrites are materials of interest for magnetic cores, as used for wireless charging transformers. Their low permeabilities, high resistivity, and magnetic polarization make them interesting for high-power electric vehicle charging and drive systems. The nickel-zinc-doped ferrites are of particular interest; however, the compositional space is quite large with respect to dopant concentrations, stoichiometric ratios and synthesis technique. Nickel-zinc spinel ferrites with varying nickel-zinc ratios prepared by a self-combustion reaction followed by heat treatment exhibit good crystallinity, and their low-temperature Mössbauer spectra show local magnetism and site occupation in agreement with materials prepared by solid-state reaction. Thus, the combustion synthesis method offers a facile tunability of compositions, which, combined with the possibility of rapid characterization of atomic-scale magnetism by Mössbauer spectroscopy, enables advances in the compositional and processing space at a fast pace. Low-temperature Mössbauer spectroscopy data for samples with increasing nickel content reveals a systematic increase in average hyperfine field (2.8 T/Ni) and decrease in average isomer shift (−0.036 mm/s/Ni) that can determine the nickel/zinc content, even in the absence of applied magnetic field data. Furthermore, a gradual evolution of color is also observed with increasing nickel content, albeit trends in color depend on sintering conditions.

Mössbauer spectroscopy↗

Health Analysis and Research for Public Events (HARPE) Tool (Final CRADA Report)

Based on its experience in building assessment tools, Argonne National Laboratory (Argonne) has demonstrated expertise in developing comparative methodologies and question sets that provide both a physical and cyber-based risk assessment for the commercial facilities sector. A high-level risk assessment tool can be beneficial for venues and organizations that fall under a wide array of facility characterizations, ultimately accommodating the evolving landscape of threats specific to these facilities. The Health Analysis and Research for Public Events (HARPE) Tool is an assessment that seeks to help facility managers assess and mitigate aspects of safety, security, and emergency management within their venues. With the pandemic featuring prominently in today’s landscape, we have adapted and extended the scope of the HARPE tool so that it offers users the ability to integrate assessments of their preparation for, response to, and recovery from threats faced at the venue arising from the COVID-19 pandemic. Traditional threats and hazards remain prevalent in today’s landscape, and the best defense is a proactive approach to preventing and mitigating these threats. At the very core of prevention and mitigation is the first step of conducting a risk assessment—this is the gap that HARPE fills. While it is obvious that the response to COVID-19 is health and sanitation driven, leaders within the commercial facilities sector must also know where to best extend their efforts in mitigating future threats arising from the pandemic. Public events and mass gatherings are directly impacted by COVID-19; however, with the help of HARPE, leaders can focus their attention on core impact areas related to the safety and security of returning to a new normal, as they assess their risks using the Argonne-developed tool. HARPE provides an important solution to the COVID-19 situation by assisting venue managers and health officials in identifying their risks.

59 BASIC BIOLOGICAL SCIENCES↗

Paleomagnetism of the moon and meteorites

Paleomagnetic investigations (1979-1982) of the nature of the magnetization process and the magnetizing fields which produced magnetization in lunar and meteoritic materials are surveyed. Natural remanence magnetization (NRM), as well as thermoremanence magnetization (TRM), have been measured in carbonaceous chondrites and and L-chondrites to characterize the formation processes occurring when the magnetization was induced. Chemical remanence magnetism, together with the NRM, has been examined in noncarbonaceous chondrites, and NRM intensity and locations have been probed in achondrites. The magnetism has been concluded to arise either from solar magnetic fields, solar nebula magnetic fields, dynamo magnetic fields in the meteorite parent bodies, or locally generated fields caused by processes such as impacts. Lunar samples with NRM have been dated to origins less than 3.6 b.y., and could have been caused by shocks, such as from impacts less than 3 m.y. ago. Discussions of TRM, dynamo, and possible transient magnetic fields from hypervelocity meteoroid impacts as origins of magnetism on the surface and in a lunar magnetic core are presented.

Hood, L. L.↗

Exploration of the Habitability of Mars with the SAM Suite Investigation on the 2009 Mars Science Laboratory

The 2009 Mars Science Laboratory (MSL) with a substantially larger payload capability that any other Mars rover, to date, is designed to quantitatively assess a local region on Mars as a potential habitat for present or past life. Its goals are (1) to assess past or present biological potential of a target environment, (2) to characterize geology and geochemistry at the MSL landing site, and (3) to investigate planetary processes that influence habitability. The Sample Analysis at Mars (SAM) Suite, in its final stages of integration and test, enables a sensitive search for organic molecules and chemical and isotopic analysis of martian volatiles. MSL contact and remote surface and subsurface survey Instruments establish context for these measurements and facilitate sample identification and selection. The SAM instruments are a gas chromatograph (GC), a mass spectrometer (MS), and a tunable laser spectrometer (TLS). These together with supporting sample manipulation and gas processing devices are designed to analyze either the atmospheric composition or gases extracted from solid phase samples such as rocks and fines. For example, one of the core SAM experiment sequences heats a small powdered sample of a Mars rock or soil from ambient to -1300 K in a controlled manner while continuously monitoring evolved gases. This is followed by GCMS analysis of released organics. The general chemical survey is complemented by a specific search for molecular classes that may be relevant to life including atmospheric methane and its carbon isotope with the TLS and biomarkers with the GCMS.

Mahaffy, P. R.↗

The Roman Space Telescope Coronagraph Technology Demonstration: Current Status and Relevance to Future Missions

The Nancy Grace Roman Space Telescope (formally WFIRST) will be launched in the mid-2020’s with an onboard coronagraph instrument which will serve as a technology demonstrator for exoplanet direct imaging. The Roman Coronagraph will be capable of detecting and characterizing exoplanets and circumstellar disks in visible light at an unprecedented contrast level of ~10-8 or lower. Such a contrast level, which is several magnitudes better than state-of-the-art visible or near-infrared coronagraphs, raises entirely new challenges that will be overcome using a combination of hardware, calibration and data processing. In particular, the Roman Coronagraph will be the first space-based coronagraphic instrument with real-time active wavefront control through the use of large format deformable mirrors, and its EMCCD detector will enable faint signal detection in photon-counting mode. The Roman Coronagraph passed its critical design review successfully in April 2021, and is now well on its path to demonstrate many core technologies at the levels required for future exo-Earth direct imaging missions.

Luchik, T.↗

The landscape of regulatory element evolution in a C4 perennial grass

Gene regulatory evolution is a well-known source of phenotypic diversity and adaptive evolution. Although cis-regulatory elements (CREs) play a vital role in gene expression evolution, the molecular evolution of CREs remains mostly unknown due to the difficulty in identifying and characterizing these functional elements. Comparative genomic analyses of noncoding DNA can be leveraged to identify conserved noncoding sequences (CNS), many of which may harbor functional CREs conserved by purifying selection. However, purely computational inference of CREs from putative CNS can be erroneous due to the complex genomic architecture in plants. One promising experimental approach to identify CREs is by profiling accessible chromatin regions (ACRs) that are often associated with the location of CREs. In this study, we use comparative genomics along with the profiling of ACRs to study the molecular evolution of putative functional noncoding regulatory regions in Panicoid grasses. We identified sets of CNS that varied in relationship to the degree of evolutionary divergence among the studied taxa, including identifying core-Panicoid-CNS. We augmented this analysis by profiling ACRs in Panicum hallii ecotypes using ATAC-seq. ACRs had low SNP density at the summit, harbored a high frequency of core-Panicoid-CNS, and were enriched with expression QTL. These data help to annotate the P. hallii genome for putative functional elements and suggest that a large proportion of these ACRs are evolving under purifying selection. Turnover in CNS and ACR between ecotypes of P. hallii identifies a small set of putatively divergent CREs that may underlie differences in gene regulation between genotypes from inland and coastal habitats. In summary, we profiled ACRs in Panicoid grasses and integrated this data with our putative CNS prediction framework, which provides unique insight into patterns of polymorphism and divergence in CREs in C4 perennial grasses.

59 BASIC BIOLOGICAL SCIENCES↗

Methods and Results for a Global Precipitation Measurement (GPM) Validation Network Prototype

As one component of a ground validation system to meet requirements for the upcoming Global Precipitation Measurement (GPM) mission, a quasi-operational prototype a system to compare satellite- and ground-based radar measurements has been developed. This prototype, the GPM Validation Network (VN), acquires data from the Precipitation Radar (PR) on the Tropical Rainfall Measuring Mission (TRMM) satellite and from ground radar (GR) networks in the continental U.S. and participating international sites. PR data serve as a surrogate for similar observations from the Dual-frequency Precipitation Radar (DPR) to be present on GPM. Primary goals of the VN prototype are to understand and characterize the variability and bias of precipitation retrievals between the PR and GR in various precipitation regimes at large scales, and to improve precipitation retrieval algorithms for the GPM instruments. The current VN capabilities concentrate on comparisons of the base reflectivity observations between the PR and GR, and include support for rain rate comparisons. The VN algorithm resamples PR and GR reflectivity and other 2-D and 3-D data fields to irregular common volumes defined by the geometric intersection of the instrument observations, and performs statistical comparisons of PR and GR reflectivity and estimated rain rates. Algorithmic biases and uncertainties introduced by traditional data analysis techniques are minimized by not performing interpolation or extrapolation of data to a fixed grid. The core VN dataset consists of WSR-88D GR data and matching PR orbit subset data covering 21 sites in the southeastern U. S., from August, 2006 to the present. On average, about 3.5 overpass events per month for these WSR-88D sites meet VN criteria for significant precipitation, and have matching PR and GR data available. This large statistical sample has allowed the relative calibration accuracy and stability of the individual ground radars, and the quality of the PR reflectivity attenuation correction in convective and stratiform precipitation to be evaluated. We will present results of PR-GR reflectivity and rain rate bias comparisons for each OR site, and for different rain types, for the full data set and as time series. The capabilities of the statistical analysis and vertical cross section tools for display and analysis of individual site overpass event data will be described, and examples of the tools' outputs will be shown.

Morris, Kenneth R.↗

Olivine Dissolution and Formation of Secondary phases in Ultramafic Soils

Introduction: Olivine has been proposed as an indicator for the duration of water-rock interaction within Martian rocks and sediments [1-3]. The use of olivine as a mineralogical indicator for past aqueous alteration on Mars requires interpretation of a complex combination of factors including pH, temperature, and composition [5,6]. Here, we examine the persistence of natural olivine within terrestrial ultramafic soils (Fe/Mg-rich, Al-poor) developing under different climatic conditions and the incipient dissolution of emplaced forsterite (Fo) and fayalite (Fa) surfaces to investigate environmental effects on incipient olivine dissolution, olivine persistence in soils, and formation of secondary phases. Methods: Field Sites. We examined olivine weathering and secondary material formation in ultramafic soils at 6 sites in the Klamath Mountains (KM) of northern California with a mean annual temperature of ~12.8℃ and precipitation of ~55.7-95.4 cm/year [7], and soil pH of ~6.5-7.3; 4 sites in the Tablelands (TB) of Newfoundland, Canada with a mean annual temperature of <3.9℃ and precipitation of ~120.0 cm/year [8], and soil pH of ~7.7; and at 3 sites at Pickhandle Gulch (PG), Nevada with a mean annual temperature of ~14.4℃ and precipitation of ~14.1 cm/year [7], and soil pH of ~8.5. Sampling sites span an age range of ~12.1-50+ kya in the Klamath Mountains [9,10] and ~13-30 kya in the Tablelands [11]. Pickhandle Gulch sites are undated. Parent Material and Soil Analyses. Polished thin sections of bulk soil prepared by Wagner Petrographic, Inc were carbon-coated and analyzed on a JEOL 2100 SEM in back-scattered electron mode in the EMIL lab at UNLV and at the 13-ID-E synchrotron beamline at Argonne National Laboratory using µXRF, µXRD, and XAS. Soil and parent material samples were powdered in a Fritsch pulverisette and analyzed by XRD and soil by VNIR. Soil preparation is further described in [12]. Disk Preparation, Burial, and Collection. Fo disks were cut from a column prepared via hot-pressing and Fa disks by sintering synthetic fayalite powder, see [13] for detail. Disks were polished to a 0.25-micron level with diamond grit. Disks were buried in 3 KM soils, 4 TB soils, and 3 PG soils, collected after exactly 365 days, and washed gently with 100% reagent grade ethanol to remove potential adhered soil material. Weathered disks and soil samples were stored in a -20℃ freezer until analysis. Unaltered control disks prepared identically to the buried disks were stored at -20℃ for the duration of the experiment. Disk Analyses. One Fo and Fa disk from each climate zone was analyzed on a variable pressure Zeiss Supra 40VP SEM at Northern Arizona University. A separate Fo and Fa disk from each climate zone was analyzed by XPS using a Physical Electronics VersaProbe II at the Penn State Univ. Materials Characterization Lab after a Na-dodecyl sulfate wash and ozonation to remove carbon contamination as in [14]. VNIR measurements were conducted at Johnson Space Center using an ASD FieldSpec3 under ambient lab conditions on a separate Fo and Fa disk from each climate zone. One separate Fo and Fa control sample was analyzed for each technique for comparison with weathered samples. XPS uncertainty was determined from 5 repeat measurements on controls. Results: Bedrock and Soil Results Olivine is present in the parent material in the KM and TB. Olivine is found in ~12.1 ka KM soils but is absent from all older soils, while persisting into the oldest (>20 ka) TB soil (Figure 1). In both locations, olivine is found as cores surrounded by a serpentine rind (Figure 2). VNIR spectra from the analyzed soils possess strong OH-associated spectral features at ~2.33 µm indicating the presence of Mg-rich phyllosilicates as well as ferric-oxide features at ~0.92 µm in the KM (Figure 3). Primary crystalline silicate grains mostly incorporate Fe2+, while poorly crystalline weathering rinds are best fit by ferric oxide XAS standards (Figure 4). µXRF also shows that Fe and Ni concentrate in weathering rinds and Cr remains within interior silicate grains (Figure 4). Buried Sample Results All Fo surfaces exhibited formation of dissolution features including shallow pitting not observed on controls. Dissolution features were most visually widespread on the KM disk (Figure 5). Leaching of Mg from KM and TB Fo disks was evident from <1.6 Mg/Si ratios measured by XPS (Figure 6). Fe-rich precipitates in SEM (Figure 5) and Fe presence in XPS scans (Figure 6) indicate Fe deposition onto KM and TB Fo disk surfaces. The appearance of a spectral feature at 0.55 µm in the VNIR spectra from the TB Fo suggests this Fe is ferric (Figure 7). The PG Fo appears least altered, with minimal formation of dissolution features in SEM (Figure 5), a Mg/Si ratio inconsistent with leaching (~2) (Figure 6), and VNIR spectra almost identical to the control sample. Analysis of Fa surfaces is ongoing. The higher temperatures and more acidic pH in the KM soils likely drive the faster dissolution of the Fo disks described above. While the TB soils experience greater precipitation than in the KM, the cooler temperatures and more basic soil pH facilitate observable but more limited alteration. The dry climate and basic soil pH at PG lead to minimal dissolution of the PG disk surfaces.

A D Feldman↗

Chemical imaging of individual stratospheric particles sampled over North America

The increasing size, severity, and frequency of wildfires have led to dramatic increases in particulate matter concentrations in the troposphere. Severe wildfires can generate intense convective systems capable of transporting large quantities of biomass burning organic aerosols (BBOA) to the upper troposphere and lower stratosphere (UTLS). Chemically complex organic matter and light-absorbing carbonaceous material is introduced into stratospheric regions that were historically isolated from direct surface emissions. In this study, stratospheric particles were sampled over North America during the Dynamics and Chemistry of the Summer Stratosphere (DCOTSS) campaign, an aircraft-based research project designed to characterize convective perturbation in the UTLS. Particle samples collected from six research flights during summer 2022 were analyzed using Computer-Controlled Scanning Electron Microscopy and Scanning Transmission X-ray Microscopy to investigate particle size distributions, morphology, chemical composition, and mixing state of stratospheric particles along transects across the continental United States and adjacent Pacific Ocean airspace. Analysis revealed that all sampled particles contained detectable levels of carbon, with most exhibiting organic volume fractions of 0.37 ± 0.20. Notably, about 5% of the particles also contained soot inclusions, which indicates the presence of refractory black carbon transported to stratospheric altitudes and provides direct evidence of wildfire-derived black carbon reaching the UTLS. Typical particle morphology exhibits organic shells over soot and inorganic cores and suggests secondary processing and aging of BBOA during transport to and within the UTLS. These findings provide compelling evidence that wildfire emissions play a critical role in affecting the long-term composition and radiative properties of stratospheric particles.

Sharpe, Steven [Purdue Univ., West Lafayette, IN (↗

Optical/X-ray/radio view of Abell 1213: A galaxy cluster with anomalous diffuse radio emission

Context. Abell 1213, a low-richness galaxy system, is known to host an anomalous radio halo detected in data of the Very Large Array (VLA). It is an outlier with regard to the relation between the radio halo power and the X-ray luminosity of the parent clusters. Aims. Our aim is to analyze the cluster in the optical, X-ray, and radio bands to characterize the environment of its diffuse radio emission and to shed new light on its nature. Methods. We used optical data from the Sloan Digital Sky Survey to study the internal dynamics of the cluster. We also analyzed archival XMM-Newton X-ray data to unveil the properties of its hot intracluster medium. Finally, we used recent data from the LOw Frequency ARray (LOFAR) at 144 MHz, together with VLA data at 1.4 GHz, to study the spectral behavior of the diffuse radio source. Results. Both our optical and X-ray analysis reveal that this low-mass cluster exhibits disturbed dynamics. In fact, it is composed of several galaxy groups in the peripheral regions and, in particular, in the core, where we find evidence of substructures oriented in the NE–SW direction, with hints of a merger nearly along the line of sight. The analysis of the X-ray emission adds further evidence that the cluster is in an unrelaxed dynamical state. At radio wavelengths, the LOFAR data show that the diffuse emission is ~510 kpc in size. Moreover, there are hints of low-surface-brightness emission permeating the cluster center. Conclusions. The environment of the diffuse radio emission is not what we would expect for a classical halo. The spectral index map of the radio source is compatible with a relic interpretation, possibly due to a merger in the N–S or NE–SW directions, in agreement with the substructures detected through the optical analysis. The fragmented, diffuse radio emissions at the cluster center could be attributed to the surface brightness peaks of a faint central radio halo.

79 ASTRONOMY AND ASTROPHYSICS↗

Studies on the scintillation light detection in the ProtoDUNE Dual Phase liquid-argon TPC and its capability for the supernova trigger in DUNE

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment that aims at addressing key questions in neutrino physics in the next decades. Its scientific program includes the detection of the neutrino flux from a core-collapse supernova. The DUNE far detector will have four 17-kt mass liquid-argon (LAr) time-projection chamber (TPC) modules. ProtoDUNE Dual Phase (DP), a dual-phase LAr TPC with 300 t of active mass and 6 m of drift distance, was operated with cosmic muons in 2019-2020 as part of an R&D program at the CERN Neutrino Platform to demonstrate the feasibility of the technology at such a large scale. In a LAr TPC, the photon detection system (PDS) provides fundamental timing information and trigger capabilities. The PDS of ProtoDUNE-DP, which consisted of 36 photomultiplier tubes (PMTs), counted on a dedicated light calibration system (LCS) to monitor the PMT response. In this dissertation, the characterization and validation of the ProtoDUNE-DP PDS and LCS components before their installation will be reviewed, highlighting the results of general interest for experiments that use liquid noble gasses as target medium. The results from the stable performance of both systems in the detector during 15 months will be presented next as well as the studies on the scintillation light detection in ProtoDUNE-DP, where the collection of light produced in LAr at 7 m from the photosensors has been achieved for the first time. It is worth pointing out that the excellent LAr purity and the large size of the detector have enabled to develop a unique data-driven investigation on aspects that are critical for LAr-based experiments but that are not completely understood. The analyses cover the characterization of the low-energy background detected by the PDS, the quantification of the electric field impact on the light yield, the evaluation of the Rayleigh scattering affecting the light propagation, and the analysis of the PMT detection efficiency. The effect of the VUV reflectivity of the detector materials will be also discussed. In addition, the estimation of the cosmic muon flux crossing the TPC and the study of the observed light yield by the PDS will be reported. Finally, the results from the simulation-based study of the supernova burst trigger capability with the PDS of a 12.1-kt active mass dual-phase LAr TPC as the one proposed for DUNE will be summarized. Several configurations of reflective foils installed in the TPC to enhance the light collection will be compared.

Gallego Ros, Ana↗

Building and Breaking Carbon Composites with REACTER

Carbon composites have become indispensable for aerospace and other high-performance applications, and a detailed picture of their morphology and failure mechanisms remains difficult to obtain through experiment. REACTER is a versatile computational modeling tool for atomistic molecular dynamics designed to model chemical reactions at the speed and length scales of classical force fields.1 In this work, several recent features of REACTER were applied to the creation and subsequent mechanical testing of two classes of carbon composites, carbon-fiber reinforced polymers (CFRP) and carbon nanotube (CNT) composites. Carbon fiber core morphologies were created by the method of Desai et al.,2 but using the advanced reaction constraints framework of REACTER, their proposed multistep procedure was reduced to a single uninterrupted molecular dynamics simulation. The carbon fiber filler was embedded into a polymer matrix by simulated in situ polymerization of several thermosetting resins, including bismaleimide and polyarylacetylene, to obtain the final CFRP model. To generate the second class of carbon composite, CNT networks were grown dynamically using the new ‘create atoms’ feature of REACTER, and similarly infiltrated with resin to obtain CNT composites. The resulting models were compared directly to experiment using simulated high resolution transmission electron microscopy and x-ray diffraction. Failure mechanisms were elucidated by simulating mechanically induced bond breaking, as characterized by third-order DFT-based tight-binding (DFTB3) simulations, via a reaction constraint on the total potential energy of the involved atoms.

Molecular Dynamics↗

Studies on the scintillation light detection in the ProtoDUNE Dual Phase liquid-argon TPC and its capability for the supernova trigger in DUNE

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment that aims at addressing key questions in neutrino physics in the next decades. Its scientific program includes the detection of the neutrino flux from a core-collapse supernova. The DUNE far detector will have four 17-kt mass liquid-argon (LAr) time-projection chamber (TPC) modules. ProtoDUNE Dual Phase (DP), a dual-phase LAr TPC with 300 t of active mass and 6 m of drift distance, was operated with cosmic muons in 2019-2020 as part of an R&D program at the CERN Neutrino Platform to demonstrate the feasibility of the technology at such a large scale. In a LAr TPC, the photon detection system (PDS) provides fun- damental timing information and trigger capabilities. The PDS of ProtoDUNE-DP, which consisted of 36 photomultiplier tubes (PMTs), counted on a dedicated light calibration system (LCS) to monitor the PMT response. In this dissertation, the characterization and validation of the ProtoDUNE-DP PDS and LCS components before their installation will be reviewed, highlighting the results of general interest for experiments that use liquid noble gasses as target medium. The results from the stable performance of both systems in the detector during 15 months will be presented next as well as the studies on the scintillation light detection in ProtoDUNE-DP, where the collection of light produced in LAr at 7 m from the photosensors has been achieved for the first time. It is worth pointing out that the excellent LAr purity and the large size of the detector have enabled to develop a unique data-driven investigation on aspects that are critical for LAr- based experiments but that are not completely understood. The analyses cover the characterization of the low-energy background detected by the PDS, the quantification of the electric field impact on the light yield, the evaluation of the Rayleigh scattering affecting the light propagation, and the analysis of the PMT detection efficiency. The effect of the VUV reflectivity of the detector materials will be also discussed. In addition, the estimation of the cosmic muon flux crossing the TPC and the study of the observed light yield by the PDS will be reported. Finally, the results from the simulation-based study of the supernova burst trigger capability with the PDS of a 12.1-kt active mass dual-phase LAr TPC as the one proposed for DUNE will be summarized. Several configurations of reflective foils installed in the TPC to enhance the light collection will be compared

Gallego-Ros, Ana↗

Mechanisms for Microseismicity Occurrence Due to CO 2 Injection at Decatur, Illinois: A Coupled Multiphase Flow and Geomechanics Perspective

Here, we numerically investigate the mechanisms that resulted in induced seismicity occurrence associated with CO 2 injection at the Illinois Basin–Decatur Project (IBDP). We build a geologically consistent model that honors key stratigraphic horizons and 3D fault surfaces interpreted using surface seismic data and microseismicity locations. We populate our model with reservoir and geomechanical properties estimated using well-log and core data. We then performed coupled multiphase flow and geomechanics modeling to investigate the impact of CO 2 injection on fault stability using the Coulomb failure criteria. We calibrate our flow model using measured reservoir pressure during the CO 2 injection phase. Our model results show that pore-pressure diffusion along faults connecting the injection interval to the basement is essential to explain the destabilization of the regions where microseismicity occurred, and that poroelastic stresses alone would result in stabilization of those regions. Slip tendency analysis indicates that, due to their orientations with respect to the maximum horizontal stress direction, the faults where the microseismicity occurred were very close to failure prior to injection. These model results highlight the importance of accurate subsurface fault characterization for CO 2 sequestration operations.

58 GEOSCIENCES↗