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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Quaternary tephra from the Valles caldera in the volcanic field of the Jemez Mountains of New Mexico identified in western Canada

A fine-grained, up to 3-m-thick tephra bed in southwestern Saskatchewan, herein named Duncairn tephra (Dt), is derived from an early Pleistocene eruption in the Jemez Mountains volcanic field of New Mexico, requiring a trajectory of northward tephra dispersal of ~1500 km. An unusually low CaO content in its glass shards denies a source in the closer Yellowstone and Heise volcanic fields, whereas a Pleistocene tephra bed (LSMt) in the La Sal Mountains of Utah has a very similar glass chemistry to that of the Dt, supporting a more southerly source. Comprehensive characterization of these two distal tephra beds along with samples collected near the Valles caldera in New Mexico, including grain size, mineral assemblage, major- and trace-element composition of glass and minerals, paleomagnetism, and fission-track dating, justify this correlation. Two glass populations each exist in the Dt and LSMt. The proximal correlative of Dt1 is the plinian Tsankawi Pumice and co-ignimbritic ash of the first ignimbrite (Qbt1g) of the 1.24 Ma Tshirege Member of the Bandelier Tuff. Finally, the correlative of Dt2 and LSMt is the co-ignimbritic ash of Qbt2. Mixing of Dt1 and Dt2 probably occurred during northward transport in a jet stream.

58 GEOSCIENCES↗

SENSEI Dark Matter Discovery Project

Researchers at Stony Brook University (Stony Brook) and the Fermi National Accelerator Laboratory (Fermilab) have proposed a new experiment called the Sub-Electron Noise Skipper-CCD Experimental Instrument (SENSEI). Uncovering the identity of dark matter (DM), which makes up about 85% of the matter in the Universe, is among the most important goals of particle physics today. Laboratory-based experimental searches, which have mostly focused on Weakly Interacting Massive Particles (WIMPs) with masses above the GeV-scale (proton mass), have turned up empty thus far. Stony Brook and Fermilab have agreed to provide most of the infrastructure and technical support that will be needed by the collaboration to construct and operate two detectors for the experiment -- SENSEI-10 and SENSEI-100. The Heising-Simons Foundation is providing partial support for the experiment, through a grant to Stony Brook University, which will be used to procure the detector components, support a graduate student to work full-time on the SENSEI experiment, and support travel for collaborators to work on the experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Secure Collaborative Environment for Seamless Sharing of Scientific Knowledge

In a secure collaborative environment, tera-bytes of data generated from powerful scientific instruments are used to train secure machine learning (ML) models on exascale computing systems, which are then securely shared with internal or external collaborators as cloud-based services. Devising such a secure platform is necessary for seamless scientific knowledge sharing without compromising individual, or institute-level, intellectual property and privacy details. By enabling new computing opportunities with sensitive data, we envision a secure collaborative environment that will play a significant role in accelerating scientific discovery. Several recent technological advancements have made it possible to realize these capabilities. In this paper, we present our efforts at ORNL toward developing a secure computation platform. We present a use case where scientific data generated from complex instruments, like those at the Spallation Neutron Source (SNS), are used to train a differential privacy enabled deep learning (DL) network on Summit, which is then hosted as a secure multi-party computation (MPC) service on ORNL’s Compute and Data Environment for Science (CADES) cloud computing platform for third-party inference. In this feasibility study, we discuss the challenges involved, elaborate on leveraged technologies, analyze relevant performance results and present the future vision of our work to establish secure collaboration capabilities within and outside of ORNL.

Yoginath, Srikanth↗

Using in-situ strain measurements to evaluate the accuracy of stress estimation procedures from fracture injection/shut-in tests

Fracture injection/shut-in tests are commonly used to measure the state of stress. Injection creates a hydraulic fracture (or in some cases, opens a preexisting fracture), and then the pressure after shut-in is monitored to identify fracture closure. Different interpretation procedures have been proposed for estimating closure, and the procedures sometimes yield significantly different results. In this study, direct, in-situ strain measurements are used to observe fracture reopening and closure. The tests were performed as part of the EGS Collab project, a mesoscale project performed at 1.25 and 1.5 km depth at the Sanford Underground Research Facility. The tests were instrumented with the SIMFIP tool, a double-packer probe with a high-resolution three-dimensional borehole displacement sensor. The measurements provide a direct observation of the fracture closure signature, enabling a high-fidelity estimate of the fracture closure stress (ie, the normal stress on the fracture). In two of the four tests, injection created an opening mode fracture, and so the closure stress can be interpreted as the minimum principal stress. In the other two tests, injection probably opened preexisting natural fractures, and so the closure stress can be interpreted as the normal stress on the fractures. The strain measurements are compared against different proposed methods for estimating closure stress from pressure transients. The shut-in transients are analyzed with two techniques that are widely used in the field of petroleum engineering – the ‘tangent’ method and the ‘compliance’ method. In three of the four tests, the tangent method significantly underestimates the closure stress. The compliance method is reasonably accurate in all four tests. Closure stress is also interpreted using two other commonly-used methods – ‘first deviation from linearity’ and the method of Hayashi and Haimson. In comparison with the SIMFIP data, these methods tend to overestimate the closure stress, evidently because they identify closure from early-time transient effects, such as near-wellbore tortuosity. In two of the tests, microseismic imaging provides an independent estimate of the size of the fracture created by injection. When combined with a simple mass balance calculation, the SIMFIP stress measurements yield predictions of fracture size that are reasonably consistent with the estimates from microseismic. In conclusion, the calculations imply an apparent fracture toughness 2-3x higher than typical laboratory-derived values.

58 GEOSCIENCES↗

Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-p K a Polar Moiety

Signaling pathways intersecting with the p21-activated kinases (PAKs) play important roles in tumorigenesis and cancer progression. By recognizing that the limitations of FRAX1036 (1) were chiefly associated with the highly basic amine it contained, we devised a mitigation strategy to address several issues such as hERG activity. The 5-amino-1,3-dioxanyl moiety was identified as an effective means of reducing pKa and logP simultaneously. When positioned properly within the scaffold, this group conferred several benefits including potency, pharmacokinetics, and selectivity. Mouse xenograft PK/PD studies were carried out using an advanced compound, G-5555 (12), derived from this approach. Overall, these studies concluded that dose-dependent pathway modulation was achievable and paves the way for further in vivo investigations of PAK1 function in cancer and other diseases.

60 APPLIED LIFE SCIENCES↗

Engineering Enantiocomplementary Protoglobins for Stereoconvergent Construction of N -Alkylated α-Aminoketones

The synthesis of enantiopure compounds from a mixture of E/Z alkenes represents a notable challenge in synthetic chemistry. While enzymes excel in achieving unparalleled selectivity, their inherent specificity often confines activity to a single stereoisomeric substrate, consequently restricting the overall efficiency of such transformations. Here, we demonstrate that protoglobin-derived hemoproteins can catalyze stereoconvergent intermolecular amination using simple N-alkyl hydroxylamines as nitrene precursors, a transformation which remains elusive in synthetic chemistry. These engineered enzymes process E/Z mixtures of silyl enol ethers, enabling the precise incorporation of N-alkyl amino moieties (−NHAlkyl) into diverse molecular structures (up to 79% yield and 95% ee). Two complementary protoglobin variants were engineered using directed evolution to enable enantiodivergent synthesis of both enantiomers of α-aminoketones. This enzymatic platform achieves stereoconvergent and enantiodivergent transformations, facilitating the conversion of simple chemicals into an array of valuable pharmaceutical compounds featuring aminoketone functionalities.

Alcohols↗

Constraining maximum event magnitude during injection-triggered seismicity

Abstract Understanding mechanisms controlling fluid injection-triggered seismicity is key in defining strategies to ameliorate it. Recent triggered events (e.g. Pohang, Mw 5.5) have exceeded predictions of average energy release by a factor of >1000x, necessitating robust methodologies to both define critical antecedent conditions and to thereby constrain anticipated event size. We define maximum event magnitudes resulting from triggering as a function of pre-existing critical stresses and fluid injection volume. Fluid injection experiments on prestressed laboratory faults confirm these estimates of triggered moment magnitudes for varied boundary conditions and injection rates. In addition, observed ratios of shear slip to dilation rates on individual faults signal triggering and may serve as a measurable proxy for impending rupture. This new framework provides a robust method of constraining maximum event size for preloaded faults and unifies prior laboratory and field observations that span sixteen decades in injection volume and four decades in length scale.

58 GEOSCIENCES↗

Voltage gated inter-cation selective ion channels from graphene nanopores

With the ability to selectively control ionic flux, biological protein ion channels perform a fundamental role in many physiological processes. For practical applications that require the functionality of a biological ion channel, graphene provides a promising solid-state alternative, due to its atomic thinness and mechanical strength. Here, we demonstrate that nanopores introduced into graphene membranes, as large as 50 nm in diameter, exhibit inter-cation selectivity with a ~20× preference for K + over divalent cations and can be modulated by an applied gate voltage. Liquid atomic force microscopy of the graphene devices reveals surface nanobubbles near the pore to be responsible for the observed selective behavior. Molecular dynamics simulations indicate that translocation of ions across the pore likely occurs via a thin water layer at the edge of the pore and the nanobubble. Our results reflect a significant improvement in the inter-cation selectivity displayed by a solid-state nanopore device and by utilizing the pores in a de-wetted state, offers a method to fabricate selective graphene membranes that does not rely on the fabrication of sub-nm pores.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The Sanford underground research facility at Homestake

The former Homestake gold mine in Lead, South Dakota is being transformed into a dedicated laboratory to pursue underground research in rare-process physics, as well as offering research opportunities in other disciplines such as biology, geology and engineering. A key component of the Sanford Underground Research Facility (SURF) is the Davis Campus, which is in operation at the 4850-foot level (4300 m.w.e) and currently hosts three projects: the LUX dark matter experiment, the MAJORANA DEMONSTRATOR neutrinoless double-beta decay experiment and the CUBED low-background counter. Plans for possible future experiments at SURF are well underway and include long baseline neutrino oscillation experiments, future dark matter experiments as well as nuclear astrophysics accelerators. Facility upgrades to accommodate some of these future projects have already started. SURF is a dedicated facility with significant expansion capability.

79 ASTRONOMY AND ASTROPHYSICS↗

The Sanford Underground Research Facility at Homestake

The former Homestake gold mine in Lead, South Dakota, has been transformed into a dedicated facility to pursue underground research in rare-process physics, as well as offering research opportunities in other disciplines such as biology, geology and engineering. A key component of the Sanford Underground Research Facility (SURF) is the Davis Campus, which is in operation at the 4850-foot level (4300 m.w.e.) and currently hosts two main physics projects: the LUX dark matter experiment and the MAJORANA DEMONSTRATOR neutrinoless double-beta decay experiment. In addition, two low-background counters currently operate at the Davis Campus in support of current and future experiments. Expansion of the underground laboratory space is underway at the 4850L Ross Campus in order to maintain and enhance low-background assay capabilities as well as to host a unique nuclear astrophysics accelerator facility. Plans to accommodate other future experiments at SURF are also underway and include the next generation of direct-search dark matter experiments and the Fermilab-led international long-baseline neutrino program. Planning to understand the infrastructure developments necessary to accommodate these future projects is well advanced and in some cases have already started. SURF is a dedicated research facility with significant expansion capability.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Growth model interpretation of planet size distribution

Significance The discovery of numerous exoplanet systems containing diverse populations of planets orbiting very close to their host stars challenges the planet formation theories based on the solar system. Here, we focus on the planets with radii of 2–4 R ⊕ , whose compositions are debated. They are thought to be either gas dwarfs consisting of rocky cores embedded in H 2 -rich gas envelopes or water worlds containing significant amounts of H 2 O-dominated fluid/ice in addition to rock and gas. We argue that these planets are water worlds.

79 ASTRONOMY AND ASTROPHYSICS↗

Development, characterisation, and deployment of the SNO+ liquid scintillator

A liquid scintillator consisting of linear alkylbenzene as the solvent and 2,5-diphenyloxazole as the fluor was developed for the SNO+ experiment. This mixture was chosen as it is compatible with acrylic and has a competitive light yield to pre-existing liquid scintillators while conferring other advantages including longer attenuation lengths, superior safety characteristics, chemical simplicity, ease of handling, and logistical availability. Its properties have been extensively characterized and are presented here. This liquid scintillator is now used in several neutrino physics experiments in addition to SNO+.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗