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DOE OSTI2018

Interstellar Mapping and Acceleration Probe (IMAP): A New NASA Mission

The Interstellar Mapping and Acceleration Probe (IMAP) is a revolutionary mission that simultaneously investigates two of the most important overarching issues in Heliophysics today: the acceleration of energetic particles and interaction of the solar wind with the local interstellar medium. While seemingly disparate, these are intimately coupled because particles accelerated in the inner heliosphere play critical roles in the outer heliospheric interaction. Selected by NASA in 2018, IMAP is planned to launch in 2024. The IMAP spacecraft is a simple sun-pointed spinner in orbit about the Sun-Earth L1 point. IMAP’s ten instruments provide a complete and synergistic set of observations to simultaneously dissect the particle injection and acceleration processes at 1 AU while remotely probing the global heliospheric interaction and its response to particle populations generated by these processes. In situ at 1 AU, IMAP provides detailed observations of solar wind electrons and ions; suprathermal, pickup, and energetic ions; and the interplanetary magnetic field. For the outer heliosphere interaction, IMAP provides advanced global observations of the remote plasma and energetic ions over a broad energy range via energetic neutral atom imaging, and precise observations of interstellar neutral atoms penetrating the heliosphere. Complementary observations of interstellar dust and the ultraviolet glow of interstellar neutrals further deepen the physical understanding from IMAP. IMAP also continuously broadcasts vital real-time space weather observations. Finally, IMAP engages the broader Heliophysics community through a variety of innovative opportunities. This paper summarizes the IMAP mission at the start of Phase A development.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Dissection of the angle of single fluorophore attached to the nucleotide in corkscrewing microtubules

Direct dissection of the angles of single fluorophores under an optical microscope has been a challenging approach to study the dynamics of proteins in an aqueous solution. For angle quantifications of single substrates, however, there was only one report (Nishizaka et al., 2014) because of difficulties of construction of experimental systems with active proteins working at the single-molecule level. We here show precise estimation of orientation of single fluorescent nucleotides bound to single tubulins that comprise microtubule. When single-headed kinesins immobilized on a glass surface drive the sliding of microtubules, microtubules show corkscrewing with regular pitches (Yajima et al., 2005 & 2008). We found, by using a three-dimensional tracking microscope, that S8A mutant kinesin also showed precise corkscrewing with a 330-nm pitch, which is 13% longer than that of the wild type. The assay with the mutant was combined with a defocused imaging technique to visualize the rotational behavior of fluorescent nucleotide bound to corkscrewing microtubule. Notably, the defocused pattern of single TAMRA-GTP periodically changed, precisely correlating to its precession movement. The time course of the change in the fluorophore angle projected to the xy-plane enabled to estimate both the fluorophore orientation against microtubule axis and the precision of angle-determination of analyses system. The orientation showed main distribution with peaks at∼40°, 50° and 60°. To identify their molecular conformations, the rigorous docking simulations were performed using an atomic-level structure modeled by fitting x-ray crystal structures to the cryo-electron microscopy map. Among isomers, 2′-O-EDA-GDP labeled with 5- or 6-TAMRA were mainly specified as possible candidates as a substrate, which suggested the hydrolysis of TAMRA-GTP by tubulins. - Highlights: • The mutant of single-headed kinesin drives the corkscrewing of microtubules with a longer pitch. • Orientation of single fluorescent GTP on rotating microtubule was measured by defocused imaging. • The orientation showed the distribution with peaks at∼40°, 50° and 60° against microtubule axis. • Docking simulation reveals possible molecular conformations and state of nucleotide on tubulin.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Rapid thermal processing chamber for in-situ x-ray diffraction

Rapid thermal processing (RTP) is widely used for processing a variety of materials, including electronics and photovoltaics. Presently, optimization of RTP is done primarily based on ex-situ studies. As a consequence, the precise reaction pathways and phase progression during the RTP remain unclear. More awareness of the reaction pathways would better enable process optimization and foster increased adoption of RTP, which offers numerous advantages for synthesis of a broad range of materials systems. To achieve this, we have designed and developed a RTP instrument that enables real-time collection of X-ray diffraction data with intervals as short as 100 ms, while heating with ramp rates up to 100 °Cs{sup −1}, and with a maximum operating temperature of 1200 °C. The system is portable and can be installed on a synchrotron beamline. The unique capabilities of this instrument are demonstrated with in-situ characterization of a Bi{sub 2}O{sub 3}-SiO{sub 2} glass frit obtained during heating with ramp rates 5 °C s{sup −1} and 100 °C s{sup −1}, revealing numerous phase changes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Measurement of the Jet Mass Distribution and Top Quark Mass in Hadronic Decays of Boosted Top Quarks in $pp$ Collisions at $\sqrt{s} =$ TeV

A measurement is reported of the jet mass distribution in hadronic decays of boosted top quarks produced in pp collisions at s=13 TeV. The data were collected with the CMS detector at the LHC and correspond to an integrated luminosity of 35.9 fb-1. The measurement is performed in the lepton+jets channel of tt¯ events, where the lepton is an electron or muon. The products of the hadronic top quark decay t→bW→bqq¯′ are reconstructed as a single jet with transverse momentum larger than 400 GeV. The tt¯ cross section as a function of the jet mass is unfolded at the particle level and used to extract a value of the top quark mass of 172.6±2.5 GeV. A novel jet reconstruction technique is used for the first time at the LHC, which improves the precision by a factor of 3 relative to an earlier measurement. This highlights the potential of measurements using boosted top quarks, where the new technique will enable future precision measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

In this work, we present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ 100,000 electrons) on both many-core CPU and hybrid CPU-GPU computing architectures. This work involves improvements in the real-space formulation—via an improved treatment of the electrostatic interactions that substantially enhances the computational efficiency—as well high-performance computing aspects, including the GPU acceleration of all the key compute kernels in DFT-FE. We demonstrate the accuracy by comparing the ground-state energies, ionic forces and cell stresses on a wide-range of benchmark systems against those obtained from widely used DFT codes. Further, we demonstrate the numerical efficiency of our implementation, which yields ~ 20× CPU-GPU speed-up by using GPU acceleration on hybrid CPU-GPU nodes. Notably, owing to the parallel-scaling of the GPU implementation, we obtain wall-times of 80–140 seconds for full ground-state calculations, with stringent accuracy, on benchmark systems containing ~ 6, 000 – 15,000 electrons.

pseudopotential↗

DOE OSTI2025

Performance of Muon Neutrino Reconstruction at ICARUS using SPINE Machine Learning.

ICARUS is a liquid argon time projection chamber (LArTPC) neutrino experiment at Fermilab. Located ~600 m from the Booster Neutrino Beam (BNB) target, it serves as the far detector in the Short-Baseline Neutrino (SBN) Program. The primary objective of the SBN Program is to probe neutrino oscillation physics at short baselines using multiple detectors, including measurements of both muon neutrino disappearance and electron neutrino appearance. A key requirement for the neutrino oscillation measurements is robust event reconstruction, including accurate and precise particle identification (PID) and kinematic reconstruction across a wide range of topologies. To achieve the required performance, we employ the SPINE (“Scalable Particle Imaging with Neural Embeddings”) package, a state-of-the-art machine learning reconstruction framework. This talk presents the status of muon neutrino reconstruction using SPINE at ICARUS, including the evaluation of reconstruction performance that will enable the full physics program at ICARUS and at the SBN Program.

Totani, Dante [Colorado State U.] (ORCID:000000019↗

DOE OSTI2023

Can strong substorm-associated MeV electron injections be an important cause of large radiation belt enhancements?

It has become well-established that strong outer radiation belt enhancements are due to wave-driven electron energization by whistler-mode chorus waves. However, in this study, we examine strong MeV electron injections on 10 July 2019 and find substantial evidence that such injections may be a crucial contributor to outer radiation belt enhancement events. For such an examination, it is essential to precisely separate temporal flux changes from spatial variations observed as Van Allen Probes move along their orbits. Employing a new “hourly snapshot” analysis approach, we discover unprecedented details of electron flux evolutions that suggest that for this event, the outer belt enhancement was not continuous but instead intermittent, mostly composed of 4 large discrete injection-driven flux increases. The injections appear as sharp flux increases when observed near apogee. Otherwise, by comparing hourly snapshots for different times, we infer injections and infer temporally stable fluxes between injections, despite strong and continuous chorus emission. The fast and intermittent electron flux growth successively extending earthwards implies cumulative outer belt enhancement via a series of repetitive inward transport associated with injection-induced electric fields.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Expression of Interest in Contributions to the Electron-Ion Collider: Forward Silicon Vertex/Tracker Developments

The LANL EIC team would like to contribute to the EIC silicon vertex/tracking detector design, construction, commissioning and operation. Our primary focus is for a proposed forward silicon tracker with pseudorapidity coverage from 1 to 3.5 in the nucleon/nuclei beam going (forward) direction at IP-6 of the EIC. LANL LDRD is currently supporting this effort from FY20-FY22 with a funding of $5M. Meanwhile, we are open to collaborate on the other EIC detector sub-systems such as the central, backward silicon vertex/tracking detectors and/or a precision timing detector based on the LGAD technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Rocks, water, and noble liquids: Unfolding the flavor contents of supernova neutrinos

Measuring core-collapse supernova neutrinos, both from individual supernovae within the Milky Way and from past core collapses throughout the Universe (the diffuse supernova neutrino background, or DSNB), is one of the main goals of current and next generation neutrino experiments. Detecting the heavy-lepton flavor (muon and tau types, collectively v x ) component of the flux is particularly challenging due to small statistics and large backgrounds. Further, while the next galactic neutrino burst will be observed in a plethora of neutrino channels, allowing us to measure a small number of v x events, only upper limits are anticipated for the diffuse v x flux even after decades of data taking with conventional detectors. However, paleo detectors could measure the time-integrated flux of neutrinos from galactic core-collapse supernovae via flavor-blind neutral current interactions. In this work, we show how combining a measurement of the average galactic core-collapse supernova flux with paleo detectors and measurements of the DSNB electron-type neutrino fluxes with the next-generation water Cherenkov detector Hyper-Kamiokande and the liquid noble gas detector DUNE will allow to determine the mean supernova vx flux parameters with precision of order ten percent. Realizing this potential requires both the cosmic supernova rate out to z~1 and the integrated Galactic supernova rate over the last ~1 Gyr to be established at the ~10% level.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Precision Measurement of Neutrino Oscillation Parameters with 10 Years of Data from the NOvA Experiment

This Letter reports measurements of muon-neutrino disappearance and electron-neutrino appearance and the corresponding antineutrino processes between the two NOvA detectors in the NuMI neutrino beam. These measurements use a dataset with double the neutrino mode beam exposure that was previously analyzed, along with improved simulation and analysis techniques. A joint fit to these samples in the three-flavor paradigm results in the most precise single-experiment constraint on the atmospheric neutrino mass-splitting, $Δm^2_{32}= 2.431^{+0.036}_{-0.034} (-2.479^{+0.036}_{-0.036}) \times 10^{-3}$~eV$^2$ if the mass ordering is Normal (Inverted). In both orderings, a region close to maximal mixing with $\sin^2θ_{23}=0.55_{+0.06}^{-0.02}$ is preferred. The NOvA data show a mild preference for the Normal mass ordering with a Bayes factor of 2.4 (corresponding to 70% of the posterior probability), indicating that the Normal ordering is 2.4 times more probable than the Inverted ordering. When incorporating a 2D $Δm^2_{32}\textrm{--}\sin^2 2θ_{13}$ constraint based on Daya Bay data, this preference strengthens to a Bayes factor of 6.6 (87\%).

FOS: Physical sciences↗

DOE OSTI2021

Electrocatalytic Isoxazoline–Nanocarbon Metal Complexes

In this work, we report the synthesis of new carbon-nanomaterial-based metal chelates that enable effective electronic coupling to electrocatalytic transition metals. In particular, multiwalled carbon nanotubes (MWCNTs) and few-layered graphene (FLG) were covalently functionalized by a microwave-assisted cyclo-addition with nitrile oxides to form metal-binding isoxazoline functional groups with high densities. The covalent attachment was evidenced by Raman spectroscopy, and the chemical identity of the surface functional groups was confirmed by X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The functional carbon nanomaterials effectively chelate precious metals Ir(III), Pt(II), and Ru(III), as well as earth-abundant metals such as Ni(II), to afford materials with metal contents as high as 3.0 atom %. The molecularly dispersed nature of the catalysts was confirmed by X-ray absorption spectroscopy (XAS) and energy-dispersive X-ray spectroscopy (STEM-EDS) elemental mapping. The interplay between the chelate structure on the graphene surface and its metal binding ability has also been investigated by a combination of experimental and computational studies. The defined ligands on the graphene surfaces enable the formation of structurally precise heterogeneous molecular catalysts. The direct attachment of the isoxazoline functional group on the graphene surfaces provides strong electronic coupling between the chelated metal species and the conductive carbon nanomaterial support. We demonstrate that the metal-chelated carbon nanomaterials are effective heterogeneous catalysts in the oxygen evolution reaction with low overpotentials and tunable catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Design and status of the Mu2e electromagnetic calorimeter

Here, the Mu2e experiment at Fermilab aims at measuring the neutrinoless conversion of a negative muon into an electron and reach a single event sensitivity of 2.5×10 –17 after three years of data taking. The monoenergetic electron produced in the final state, is detected by a high precision tracker and a crystal calorimeter, all embedded in a large superconducting solenoid (SD) surrounded by a cosmic ray veto system. The calorimeter is complementary to the tracker, allowing an independent trigger and powerful particle identification, while seeding the track reconstruction and contributing to remove background tracks mimicking the signal. In order to match these requirements, the calorimeter should have an energy resolution of O(5)% and a time resolution better than 500 ps at 100 MeV. The baseline solution is a calorimeter composed of two disks of BaF 2 crystals read by UV extended, solar blind, Avalanche Photodiode (APDs), which are under development from a JPL, Caltech, RMD consortium. In this paper, the calorimeter design, the R&D; studies carried out so far and the status of engineering are described. A backup alternative setup consisting of a pure CsI crystal matrix read by UV extended Hamamatsu MPPC's is also presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

The straw tracking detector for the Fermilab Muon g-2 Experiment

The Muon g-2 Experiment at Fermilab uses a gaseous straw tracking detector to make detailed measurements of the stored muon beam profile, which are essential for the experiment to achieve its uncertainty goals. Positrons from muon decays spiral inward and pass through the tracking detector before striking an electromagnetic calorimeter. The tracking detector is therefore located inside the vacuum chamber in a region where the magnetic field is large and non-uniform. As such, the tracking detector must have a low leak rate to maintain a high-quality vacuum, must be non-magnetic so as not to perturb the magnetic field and, to minimize energy loss, must have a low radiation length. The performance of the tracking detector has met or surpassed the design requirements, with adequate electronic noise levels, an average straw hit resolution of (110 ± 20) μm, a detection efficiency of 97% or higher, and no performance degradation or signs of aging. The tracking detector's measurements result in an otherwise unachievable understanding of the muon's beam motion, particularly at early times in the experiment's measurement period when there are a significantly greater number of muons decaying. This is vital to the statistical power of the experiment, as well as facilitating the precise extraction of several systematic corrections and uncertainties. This paper describes the design, construction, testing, commissioning, and performance of the tracking detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

A modular and compact portable mini-endstation for high-precision, high-speed fixed target serial crystallography at FEL and synchrotron sources

The design and implementation of a compact and portable sample alignment system suitable for use at both synchrotron and free-electron laser (FEL) sources and its performance are described. The system provides the ability to quickly and reliably deliver large numbers of samples using the minimum amount of sample possible, through positioning of fixed target arrays into the X-ray beam. The combination of high-precision stages, high-quality sample viewing, a fast controller and a software layer overcome many of the challenges associated with sample alignment. A straightforward interface that minimizes setup and sample changeover time as well as simplifying communication with the stages during the experiment is also described, together with an intuitive naming convention for defining, tracking and locating sample positions. Lastly, the setup allows the precise delivery of samples in predefined locations to a specific position in space and time, reliably and simply.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2014

Practical application of cross correlation technique to measure jitter of master-oscillator-power-amplifier laser system

The Linac coherent light source (LCLS) at the SLAC National Accelerator Laboratory (SLAC) is the world’s first hard X-ray free electron laser (XFEL) and is capable of producing high-energy, femtosecond duration X-ray pulses. A common technique to study fast timescale physical phenomena, various “pump/probe” techniques are used. In these techniques there are two lasers, one optical and one X-ray, that work as a pump and as a probe to study dynamic processes in atoms and molecules. In order to resolve phenomena that occur on femtosecond timescales, it is imperative to have very precise timing between the optical lasers and X-rays (on the order of ~ 20 fs or better). The lasers are synchronized to the same RF source that drives the accelerator and produces the X-ray laser. However, elements in the lasers cause some drift and time jitter, thereby de-synchronizing the system. This paper considers cross-correlation technique as a way to quantify the drift and jitter caused by the regenerative amplifier of the ultrafast optical laser.

cross-correlation↗

DOE OSTI2021

Measurement of charge and light yields for 127 Xe L -shell electron captures in liquid xenon

Dark matter searches using dual-phase xenon time-projection chambers (LXe-TPCs) rely on their ability to reject background electron recoils (ERs) while searching for signal-like nuclear recoils (NRs). ER response is typically calibrated using β -decay sources, such as tritium, but these calibrations do not characterize events accompanied by an atomic vacancy, as in solar neutrino scatters off inner-shell electrons. Such events lead to emission of x rays and Auger electrons, resulting in higher electron-ion recombination and thus a more NR-like response than inferred from β -decay calibration. We present a cross-calibration of tritium β -decays and Xe 127 electron-capture decays (which produce inner-shell vacancies) in a small-scale LXe-TPC and give the most precise measurements to date of light and charge yields for the Xe 127 L -shell electron-capture in liquid xenon. We observe a 6.9 σ ( 9.2 σ ) discrepancy in the L -shell capture response relative to tritium β decays, measured at a drift field of 363 ± 14 V / cm ( 258 ± 13 V / cm ), when compared to simulations tuned to reproduce the correct β -decay response. In dark matter searches, use of a background model that neglects this effect leads to overcoverage (higher limits) for background-only multi-kiloton-year exposures, but at a level much less than the 1 - σ experiment-to-experiment variation of the 90% C.L. upper limit on the interaction rate of a 50 GeV / c 2 dark matter particle.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Electron-Argon Scattering Studies at Jefferson Lab

For many decades, the study of electron scattering off a nucleus has been used as a tool to probe the properties of that nucleus and its electromagnetic response. In recent years, these studies have become vital starting point in the development of neutrino-nucleus scattering physics that constitutes largest share of systematic uncertainty in the accelerator-based neutrino-oscillation experiments. With the surge of Liquid Argon Time Projection Chambers (LArTPCs) based detectors in the short- (SBN) and long-baseline (DUNE) neutrino programs, the challenges of controlling systematics related to (anti)neutrino-argon scattering are magnified considering the isospin asymmetric nature of argon nucleus and the scarcity of electron-argon scattering studies. In light of these, an electron-argon experiment, E12-14-012, was designed at Jefferson Lab Hall A to study electron scattering on argon (N = 22) and titanium (Z = 22) nuclei using high precision continuous electron beam. The experiment collected data for ( e,e′p ) and ( e,e′ ) processes on 40 Ar, 48 Ti and 12 C targets covering a broad range of energy transfers where quasielastic scattering and delta production are the dominant reaction mechanisms. In this contribution, we present a brief overview and status of the experiment.

Pandey, Vishvas↗

DOE OSTI2017

A Highly Stretchable and Fatigue-Free Transparent Electrode Based on an In-Plane Buckled Au Nanotrough Network

Flexible transparent electrodes are an indispensable component of next-generation soft optoelectronics such as wearable electronics and electronic artificial skins (E-skins). Among the existing candidate materials, metal nanotrough networks exhibit optimal overall optoelectronic performance with impressive bendability. However, their further practical applications are hindered by their limited mechanical stretchability, which is highly desired in biointegrated systems. Here it is demonstrated that superior mechanical stretchability with tensile strains up to 300% can be achieved in Au nanotrough networks by introducing an in-plane sinusoidal wavy structure. For the first time it is shown that with a precisely tuned nanotrough geometry along with an optimized network configuration, the buckled Au nanotrough network can be repeatedly stretched to strains up to 120% for 100 000 cycles, exhibiting excellent fatigue performance. Such highly stretchable and fatigue-free (at a high tensile strain up to 100%) Au nanotrough networks present a competent sheet resistance (R sh ≈ 10 Ω sq -1 ) with high optical transparency (T = 91%), which are demonstrated to be highly compatible with human skins as conformal flexible transparent electrodes.

36 MATERIALS SCIENCE↗