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Compendium of HFIR and REDC Infrasound and Low-Frequency Acoustic Emissions

This document is a compilation of infrasound and low-frequency acoustic signatures that characterize select nuclear reactor operations and hot-cell operations observed at Oak Ridge National Laboratory (ORNL) in fiscal year 2018. Also included here are the results of digital signal analyses describing these signatures. This effort provides insight about the feasibility of using acoustic signatures for local and remote-sensing and identification of nuclear fuel-cycle operations. The signatures included here, in this first year of on-site observations at ORNL, will become part of the broader basis set of signatures collected by researchers involved in the Multi-Informatics for Nuclear Operations Scenarios (MINOS) venture. The effort by MINOS researchers is to gain a deeper knowledge base of nuclear facility operations which may be used to improve nuclear facility monitoring capabilities. This compendium comprises signatures developed from sound signals that were measured at ORNL's High Flux Isotope Reactor and the Radiochemical Engineering Development Center during the week of June 18, 2018. Most facility operations were performed specifically for this campaign, although some measurements were obtained in the course of normal operations. The knowledge gained from developing the signatures included herein will provide a better understanding that will be useful for upcoming measurement campaigns; as additional data becomes available it will be included in newer versions of this compendium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Compendium of HFIR and REDC Infrasound and Low-Frequency Acoustic Emissions

This document is a compilation of infrasound and low-frequency acoustic signatures that characterize select nuclear reactor operations and hot-cell operations observed at Oak Ridge National Laboratory (ORNL) in fiscal year 2018. Also included here are the results of digital signal analyses describing these signatures. This effort provides insight about the feasibility of using acoustic signatures for local and remote-sensing and identification of nuclear fuel-cycle operations. The signatures included here, in this first year of on-site observations at ORNL, will become part of the broader basis set of signatures collected by researchers involved in the Multi-Informatics for Nuclear Operations Scenarios (MINOS) venture. The effort by MINOS researchers is to gain a deeper knowledge base of nuclear facility operations which may be used to improve nuclear facility monitoring capabilities. This compendium comprises signatures developed from sound signals that were measured at ORNL's High Flux Isotope Reactor and the Radiochemical Engineering Development Center during the week of June 18, 2018. Most facility operations were performed specifically for this campaign, although some measurements were obtained in the course of normal operations. The knowledge gained from developing the signatures included herein will provide a better understanding that will be useful for upcoming measurement campaigns; as additional data becomes available it will be included in newer versions of this compendium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Parallel Multi-Omics in High-Risk Subjects for the Identification of Integrated Biomarker Signatures of Type 1 Diabetes

Background: Biomarkers are crucial for detecting early type-1 diabetes (T1D) and preventing significant β-cell loss before the onset of clinical symptoms. Here, we present proof-of-concept studies to demonstrate the potential for identifying integrated biomarker signature(s) of T1D using parallel multi-omics. Methods: Blood from human subjects at high risk for T1D (and healthy controls; n = 4 + 4) was subjected to parallel unlabeled proteomics, metabolomics, lipidomics, and transcriptomics. The integrated dataset was analyzed using Ingenuity Pathway Analysis (IPA) software for disturbances in the at-risk subjects compared to controls. Results: The final quadra-omics dataset contained 2292 proteins, 328 miRNAs, 75 metabolites, and 41 lipids that were detected in all samples without exception. Disease/function enrichment analyses consistently indicated increased activation, proliferation, and migration of CD4 T-lymphocytes and macrophages. Integrated molecular network predictions highlighted central involvement and activation of NF-κB, TGF-β, VEGF, arachidonic acid, and arginase, and inhibition of miRNA Let-7a-5p. IPA-predicted candidate biomarkers were used to construct a putative integrated signature containing several miRNAs and metabolite/lipid features in the at-risk subjects. Conclusions: Preliminary parallel quadra-omics provided a comprehensive picture of disturbances in high-risk T1D subjects and highlighted the potential for identifying associated integrated biomarker signatures. With further development and validation in larger cohorts, parallel multi-omics could ultimately facilitate the classification of T1D progressors from non-progressors.

60 APPLIED LIFE SCIENCES↗

Topological phase transition to a hidden charge density wave liquid

Charge density waves (CDWs), electronic crystals that form within a host solid, have long been speculated to melt into a spatially textured electronic liquid. Though they have not been previously detected, liquid CDWs may nonetheless be fundamental to the phase diagrams of many correlated electron systems, including high temperature superconductors and quantum Hall states. In one of the most promising candidate materials capable of hosting a liquid CDW, 1T-TaS2, a structural phase transition impedes its observation. Here, by irradiating the material with a femtosecond light pulse, we circumvent the structural phase transition to reveal how topological defect dynamics govern the otherwise invisible CDW correlations. Upon photoexcitation, the CDW diffraction peaks broaden azimuthally, initially revealing a hexatic state. At higher temperatures, photoexcitation completely destroys translational and orientational order and only a ring of diffuse scattering is observed, a key signature of a liquid CDW. Our work provides compelling evidence for a defect-unbinding transition to a CDW liquid and presents a protocol for uncovering states that are hidden by other transitions in thermal equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

FIRST LIGHT: MeV ASTROPHYSICS FROM THE MOON

We report evidence of the first astrophysical source detected from the Moon at MeV energies. Our detection of Cygnus X-1 is a validation of a new investigative paradigm in which the lunar environment is intrinsic to the detection approach: the Lunar Occultation Technique (LOT). NASA’s Lunar Prospector mission served as a proxy for a dedicated LOT-based mission. The characteristic signature of temporal modulation, generated by repeated lunar occultations and encoded within acquired gamma-ray data (0.5–9 MeV), is consistent with an unambiguous detection of Cygnus X-1 at 5.4 σ significance. Source localization and long-term monitoring capabilities of the LOT are also demonstrated. This “first light” detection verifies the basic tenets of the LOT methodology, reinforces its feasibility as an alternative astronomical detection paradigm for nuclear astrophysics investigations, and is an illustration of the fundamental benefits of the Moon as a platform for science.

79 ASTRONOMY AND ASTROPHYSICS↗

Wireline Deep Drill for the Exploration of Icy Bodies

One of the most pressing current questions in space science is whether life has ever arisen anywhere else in the universe. Water is a critical prerequisite for all life-as-we-know-it, thus the possible exploration targets for extraterrestrial life are bodies that have or had copious liquid: Mars, Europa, and Enceladus. Due to the oxidizing nature of Mars' surface, as well as subsurface liquid water reservoirs present on Europa and Enceladus, the search for evidence of existing life must likely focus on subsurface locations, at depths sufficient to support liquid water or retain biologic signatures. To address these questions, an Auto-Gopher sampler has been developed that is a wireline type drill. This drill is suspended on a tether and its motors and mechanisms are built into a tube that ends with a coring bit. The tether provides the mechanical connection to a rover/lander on a surface as well as power and data communication. Upon penetrating to a target depth, the drill is retracted from the borehole, the core is deposited into a sample transfer system, and the drill is lowered back into the hole. Wireline operation sidesteps one of the major drawbacks of traditional continuous drill string systems by obviating the need for multiple drill sections, which add significantly to the mass and the complexity of the system (i.e. penetration rate was 40 cm per hour). Drilling to 2 meter depth and recovering of cores every 10 cm took a total time of 15 hours (a single step of drilling 10 cm and retrieving the core was 45 minutes). Total energy to reach the 2 m depth was 500 Whr. The Weight on Bit was limited to less than 70 Newton. The core recovery was 100%.

sampling↗

Pandemic H1N1 influenza A directly induces a robust and acute inflammatory gene signature in primary human bronchial epithelial cells downstream of membrane fusion

Pandemic H1N1 influenza A (H1N1pdm) elicits stronger pulmonary inflammation than previously circulating seasonal H1N1 influenza A (sH1N1), yet mechanisms of inflammatory activation in respiratory epithelial cells during H1N1pdm infection are unclear. We investigated host responses to H1N1pdm/sH1N1 infection and virus entry mechanisms in primary human bronchial epithelial cells in vitro. H1N1pdm infection rapidly initiated a robust inflammatory gene signature (3 h post-infection) not elicited by sH1N1 infection. Protein secretion inhibition had no effect on gene induction. Infection with membrane fusion deficient H1N1pdm failed to induce robust inflammatory gene expression which was rescued with restoration of fusion ability, suggesting H1N1pdm directly triggered the inflammatory signature downstream of membrane fusion. Investigation of intra-virion components revealed H1N1pdm viral RNA (vRNA) triggered a stronger inflammatory phenotype than sH1N1 vRNA. Thus, our study is first to report H1N1pdm induces greater inflammatory gene expression than sH1N1 in vitro due to direct virus–epithelial cell interaction. - Highlights: • We investigated H1N1pdm/sH1N1 infection in primary epithelial cells. • H1N1pdm directly initiated a robust inflammatory gene signature, sH1N1 did not. • H1N1pdm viral RNA triggered a stronger response than sH1N1. • H1N1pdm induces greater response due to direct virus–cell interaction. • These results have potential to impact vaccine and therapeutic development.

60 APPLIED LIFE SCIENCES↗

Signatures of Mottness and Hundness in archetypal correlated metals

Physical properties of multi-orbital materials depend not only on the strength of the effective interactions among the valence electrons but also on their type. Strong correlations are caused by either Mott physics that captures the Coulomb repulsion among charges, or Hund physics that aligns the spins in different orbitals. We identify four energy scales marking the onset and the completion of screening in orbital and spin channels. The differences in these scales, which are manifest in the temperature dependence of the local spectrum and of the charge, spin and orbital susceptibilities, provide clear signatures distinguishing Mott and Hund physics. We illustrate these concepts with realistic studies of two archetypal strongly correlated materials, and corroborate the generality of our conclusions with a model Hamiltonian study.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An infrared spectral biomarker accurately predicts neurodegenerative disease class in the absence of overt symptoms

Although some neurodegenerative diseases can be identified by behavioral characteristics relatively late in disease progression, we currently lack methods to predict who has developed disease before the onset of symptoms, when onset will occur, or the outcome of therapeutics. New biomarkers are needed. Here we describe spectral phenotyping, a new kind of biomarker that makes disease predictions based on chemical rather than biological endpoints in cells. Spectral phenotyping uses Fourier Transform Infrared (FTIR) spectromicroscopy to produce an absorbance signature as a rapid physiological indicator of disease state. FTIR spectromicroscopy has over the past been used in differential diagnoses of manifest disease. Here, we report that the unique FTIR chemical signature accurately predicts disease class in mouse with high probability in the absence of brain pathology. In human cells, the FTIR biomarker accurately predicts neurodegenerative disease class using fibroblasts as surrogate cells.

60 APPLIED LIFE SCIENCES↗

Use of First Order Reversal Curve Measurements to Understand Barkhausen Noise Emission in Nuclear Steel

A prototypical ferritic/martensitic alloy, HT-9, of interest to the nuclear materials community was investigated for microstructure effects on Barkhausen noise emission and first-order reversal curve (FORC) analysis for three different heat-treated samples. It was observed that Barkhausen noise emission and reversible component of magnetization, computed from the FORC data, decreased with increasing measured mechanical hardness. The results are discussed in terms of the use of magnetic signatures for use in nondestructive interrogation of radiation damage and other microstructural changes in ferritic/martensitic alloys. FORC analysis is shown to be particularly useful for detailed characterization of defect density and pinning, which can be correlated to bulk non-destructive evaluation field measurements such as Barkhausen noise emission.

36 MATERIALS SCIENCE↗

Search for Fractionally Charged Particles with CUORE

The Cryogenic Underground Observatory for Rare Events (CUORE) is a detector array comprised by 988 5 cm × 5 cm × 5 cm TeO 2 crystals held below 20 mK, primarily searching for neutrinoless double-beta decay in 130 Te. Unprecedented in size among cryogenic calorimetric experiments, CUORE provides a promising setting for the study of exotic throughgoing particles. Using the first tonne year of CUORE’s exposure, we perform a search for hypothesized fractionally charged particles (FCPs), which are well-motivated by various standard model extensions and would have suppressed interactions with matter. Across the searched range of charges 𝑒/24−𝑒/2 no excess of FCP candidate tracks is observed over background, setting leading limits on the underground FCP flux with charges 𝑒/24 −𝑒/5 at 90% confidence level. Using the low background environment and segmented geometry of CUORE, we establish the sensitivity of tonne-scale subkelvin detectors to diverse signatures of new physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Lu-Hf and Sm-Nd geochronological constraints on the influence of subduction metamorphism in controlling the Hf-Nd terrestrial array: Evidence from the world’s orogenic belts

To create a better understanding of the influence of subduction metamorphism on the Hf-Nd terrestrial array, this study examines all of the available Lu-Hf and Sm-Nd garnet isochron ages from the world’s orogenic eclogites and amphi bolites. The garnet isochron y-intercept values provide a record of each sample’s epsilon Hf ( ε Hf) and Nd ( ε Nd) at the age recorded by the isochron, which in the case of most orogenic eclogites and amphibolites is the time of prograde metamorphism during subduction. It is further possible to assess the extent to which each sample’s Lu-Hf and Sm-Nd isotope systematics have remained undisturbed since the date recorded by the isochron by comparison of the bulk-rock isotope systematics with the isochron initial value. This approach provides a means of understanding the Lu-Hf and Sm-Nd systematics of post-subduction metamorphic oceanic crust. On a global scale, the coupled Lu-Hf and Sm-Nd isotope systematics of this crust closely align with the Hf-Nd terrestrial array and have average 176 Lu/ 177 Hf and 147 Sm/ 144 Nd ratios within error of the chondritic uniform reservoir values. This is an important finding because it suggests that a reservoir of deeply subducted oceanic crust, possibly residing at the core-mantle boundary, is unlikely to be significantly fractionated from the Hf-Nd terrestrial array. In contrast to the samples of subduction-metamorphosed oceanic crust, metamorphic rocks with a continental crustal protolith demonstrate garnet isochron initial values and bulk-rock Lu-Hf and Sm-Nd isotope systematics indicating significant decoupling from the Hf-Nd terrestrial array. However, because this material is not readily subducted, this strongly decoupled signature is unlikely to be transferred into deep Earth. Mixing calculations aimed at developing a clearer understanding of what factors control decoupling of a sample’s Lu-Hf and Sm-Nd systematics from the Hf-Nd terrestrial array highlight the complexity of mass-transfer regimes operating in the subduction environment.

54 ENVIRONMENTAL SCIENCES↗

Radiation Detection and Dual-Energy X-Ray Imaging for Port Security

Millions of cargo containers are transported across the United States border annually and are inspected for illicit radioactive material and contraband using a combination of passive radiation portal monitors (RPM) and high energy X-ray non-intrusive inspection (NII) systems. As detection performance is expected to vary with the material composition of cargo, characterizing the types of material present in cargo is important to national security. This work analyzes the passive radiation and dual energy radiography signatures from on RPM and two NII system, respectively. First, the cargos were analyzed to determine their ability to attenuate emissions from an embedded radioactive source. Secondly, dual-energy X-ray discrimination was used to determine the material composition and density of the cargos.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Optical follow-up of gravitational wave triggers with DECam during the first two LIGO/VIRGO observing runs

Gravitational wave (GW) events detectable by LIGO and Virgo have several possible progenitors, including black hole mergers, neutron star mergers, black hole–neutron star mergers, supernovae, and cosmic string cusps. A subset of GW events is expected to produce electromagnetic (EM) emission that, once detected, will provide complementary information about their astrophysical context. To that end, the LIGO–Virgo Collaboration (LVC) sends GW candidate alerts to the astronomical community so that searches for their EM counterparts can be pursued. The DESGW group, consisting of members of the Dark Energy Survey (DES), the LVC, and other members of the astronomical community, uses the Dark Energy Camera (DECam) to perform a search and discovery program for optical signatures of LVC GW events. DESGW aims to use a sample of GW events as standard sirens for cosmology. Due to the short decay timescale of the expected EM counterparts and the need to quickly eliminate survey areas with no counterpart candidates, it is critical to complete the initial analysis of each night’s images as quickly as possible. We discuss our search area determination, imaging pipeline, and candidate selection processes. We review results from the DESGW program during the first two LIGO–Virgo observing campaigns and introduce other science applications that our pipeline enables.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Combining STM, RAIRS and TPD to Decipher the Dispersion and Interactions Between Active Sites in RhCu Single-Atom Alloys

Single-atom alloys are a new class of heterogeneous catalyst in which trace amounts of metal dopants exist as individual, isolated sites in a host metal. In this study, we examine RhCu, a new single-atom alloy with a combination of scanning tunneling microscopy, reflectance absorbance infrared spectroscopy, and temperature programed desorption to understand the atomic structure of the alloy and correlate this with the behavior of CO, a common probe molecule. Here, we find that Rh alloys into Cu(111) preferentially from step edges. As such, step density plays an important role in the vibrational structure of CO on isolated Rh sites. We observe that atomically dispersed Rh sites can be close enough together to have dipole-dipole coupling interactions. Together, this combined experimental approach enables us to understand the alloying mechanism of Rh with Cu and yields important signatures of the atomic sites that are useful in benchmarking CO vibrational data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Directed-Backbone Dissociation Following Bond-Specific Carbon-Sulfur UVPD at 213 nm

Ultraviolet photodissociation or UVPD is an increasingly popular option for tandem-mass spectrometry experiments. UVPD can be carried out at many wavelengths, and it is important to understand how the results will be impacted by this choice. Here, we explore the utility of 213 nm photons for initiating bond-selective fragmentation. It is found that bonds previously determined to be labile at 266 nm, including carbon-iodine and sulfur-sulfur bonds, can also be cleaved with high selectivity at 213 nm. In addition, many carbon-sulfur bonds that are not subject to direct dissociation at 266 nm can be selectively fragmented at 213 nm. This capability can be used to site-specifically create alaninyl radicals that direct backbone dissociation at the radical site, creating diagnostic d-ions. Furthermore, the additional carbon-sulfur bond fragmentation capability leads to signature triplets for fragmentation of disulfide bonds. Absorption of amide bonds can enhance dissociation of nearby labile carbon-sulfur bonds and can be used for stochastic backbone fragmentation typical of UVPD experiments at shorter wavelengths. Several potential applications of the bond-selective fragmentation chemistry observed at 213 nm are discussed. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗