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At least 325 records · Page 18

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DOE OSTI2022

Vanilloid-dependent TRPV1 opening trajectory from cryo EM ensemble analysis

Single particle cryo-EM often yields multiple protein conformations within a single dataset, but experimentally deducing the temporal relationship of these conformers within a conformational trajectory is not trivial. Here, we use thermal titration methods and cryo-EM in an attempt to obtain temporal resolution of the conformational trajectory of the vanilloid receptor TRPV1 with resiniferatoxin (RTx) bound. Based on our cryo-EM ensemble analysis, RTx binding to TRPV1 appears to induce intracellular gate opening first, followed by selectivity filter dilation, then pore loop rearrangement to reach the final open state. This apparent conformational wave likely arises from the concerted, stepwise, additive structural changes of TRPV1 over many subdomains. Greater understanding of the RTx-mediated long-range allostery of TRPV1 could help further the therapeutic potential of RTx, which is a promising drug candidate for pain relief associated with advanced cancer or knee arthritis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations

We present the Tucker tensor DFT (TTDFT) code which uses a tensor-structured algorithm with graphic processing unit (GPU) acceleration for conducting ground-state DFT calculations on large-scale systems. The Tucker tensor DFT algorithm uses a localized Tucker tensor basis computed from an additive separable approximation to the Kohn-Sham Hamiltonian. The discrete Kohn-Sham problem is solved using Chebyshev filtered subspace iteration method that relies on matrix-matrix multiplications of a sparse symmetric Hamiltonian matrix and a dense wavefunction matrix, expressed in the localized Tucker tensor basis. These matrix-matrix multiplication operations, which constitute the most computationally intensive step of the solution procedure, are GPU accelerated providing ~8-fold GPU-CPU speedup for these operations on the largest systems studied. In conclusion, the computational performance of the TTDFT code is presented using benchmark studies on aluminum nano-particles and silicon quantum dots with system sizes ranging up to ~7,000 atoms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Advancing Molecular Level Understanding of Aerosol Processes in the Amazon and Integration with Modeling (Final Report)

The Amazon forest is being converted to urban and agricultural uses through land clearing including large scale burning. It is also the dominant source of biogenic hydrocarbons globally, which can chemically transform in the atmosphere to form secondary organic aerosol (SOA). Most aerosols (solid or liquid particles suspended in air) are organic and formed through secondary chemical processes. This means that SOA chemical composition and their physical properties can impact cloud formation, the hydrologic cycle, and radiative balance in this region. The 2014 GoAmazon field campaign at the DOE/ARM facility at T3 afforded study of chemical transformations in the region downwind of Manaus. Local biogenic hydrocarbons emissions are high, and their chemical oxidation can be studied with varying degrees of influence by the urban plume. We collected aerosol filter samples and made time-resolved molecular level measurements by deploying a sequential filter sampler and a Semi-Volatile Thermal desorption Aerosol Gas Chromatograph (SV-TAG) during Jan-Mar 2014 (wet season) and Aug-Oct 2014 (dry season).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Expanding the physics reach of DUNE in the near and far detectors

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino oscillation experiment. Its primary goal is the determination of the neutrino mass hierarchy and the CP-violating phase. The DUNE physics programme also includes the detection of astrophysical neutrinos and the search for beyond the Standard Model (BSM) phenomena. DUNE will consist of a near detector (ND) complex placed at Fermilab, and a modular Liquid Argon Time Projection Chamber (LArTPC) far detector (FD) to be built in the Sanford Underground Research Facility (SURF), approximately 1300 km away from the neutrino production point. This thesis describes three different projects within DUNE. First, a novel strategy to improve the triggering capabilities of the DUNE FD is proposed. It uses matched filters to enhance the production of online hits across all charge collection planes. Next, the possibility of detecting neutrinos coming from dark matter (DM) annihilations in the Sun with the FD is explored. The complementarity of DUNE to this kind of DM searches is shown. Finally, the simulation and reconstruction framework of ND-GAr, the gas argon ND proposed for Phase II of DUNE, is presented. A number of additions to this are described, particularly focused on the development of the particle identification (PID) capabilities of the detector. These are then used to perform the first event selection studies with an end-to-end simulation in ND-GAr, in particular the selection of pion exclusive samples in $\nu_{\mu}$ CC interactions. All three of these projects share the common goal of enhancing the physics programme of DUNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Details of the neutral energy distribution and ionization source using spectrally resolved Balmer-alpha measurements on DIII-D

Spectrally resolved passive Balmer- α (D- α, H- α) measurements from the DIII-D 16 channel edge main-ion charge exchange recombination system confirm the presence of higher energy neutrals (“thermal” neutrals) in addition to the cold neutrals that recycle off the walls in the edge region of DIII-D plasmas. Charge exchange between thermal ions and edge neutrals transfers energy and momentum between the populations giving rise to thermal neutrals with energies approximating the ions in the pedestal region. Multiple charge exchange events in succession allow an electron to effectively take a random walk, transferring from ion to ion, providing a pathway of increasing energy and velocity, permitting a neutral to get deeper into the plasma before a final ionization event that contributes to the ion and electron particle fueling. Spectrally resolved measurements provide information about the density and velocity distribution of these neutrals, which has been historically valuable for validating Monte Carlo neutral models, which include the multi stage charge exchange dynamics. Here, in this study, a multi-channel set of such measurements is used to specifically isolate the details of the thermal neutrals that are responsible for fueling inside the pedestal top. Being able to separate the thermal from the cold emission overcomes several challenges associated with optical filter-based neutral density measurements. The neutral dynamics, deeper fueling by the thermal neutrals, and spectral measurement are modeled with the FIDASIM Monte Carlo collisional radiative code, which also produces synthetic spectra with a shape that is in close agreement with the measurements. By scaling the number of neutrals in the simulation to match the intensity of the thermal emission, we show it is possible to obtain local neutral densities and ionization source rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Improving Signal-to-Noise Ratio (SNR) for Quantum Readout Signals Using Adaptive Hardware Filters on FPGA

This research presents an innovative approach to improving the Signal-to-Noise Ratio (SNR) in superconducting quantum computing readout signals, utilizing FPGA-based adaptive filtering on the control board. Our solution aims to bolster quantum computations' reliability by providing a more accurate and precise way to obtain our readout traces and achieve a higher discernability between excitation states in real-time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Software and Firmware-logic Design for the PIP-II Machine Protection System Mode and Configuration Control at Fermilab

The PIP-II Machine Protection System (MPS) requires a dedicated set of tools for configuration control and management of the machine modes and beam modes of the accelerator. The protection system reacts to signals from various elements of the machine according to rules established in a setup database in the form of a Look-Up-Table filtered by the program Mode Controller. This is achieved in accordance with commands from the operator and governed by the firmware logic of the MPS. This paper describes the architecture, firmware logic, and implementation of the program mode controller.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Development of a New Neutron Electric Dipole Moment Experiment at LANL [Slides]

Conclusion: New timing filter amps and power supplies for the PMTs have been procured. The second switcher is built and will be tested with UCN soon. The second simultaneous spin analyzer is being built at Indiana University and will be tested this year. We plan to start taking production data from next year

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Off-harmonic optical probing of high intensity laser plasma expansion dynamics in solid density hydrogen jets

Due to the non-linear nature of relativistic laser induced plasma processes, the development of laser-plasma accelerators requires precise numerical modeling. Especially high intensity laser-solid interactions are sensitive to the temporal laser rising edge and the predictive capability of simulations suffers from incomplete information on the plasma state at the onset of the relativistic interaction. Experimental diagnostics utilizing ultra-fast optical backlighters can help to ease this challenge by providing temporally resolved inside into the plasma density evolution. We present the successful implementation of an off-harmonic optical probe laser setup to investigate the interaction of a high-intensity laser at 5.4 x 10 21 W/cm 2 peak intensity with a solid-density cylindrical cryogenic hydrogen jet target of 5μm diameter as a target test bed. The temporal synchronization of pump and probe laser, spectral filtering and spectrally resolved data of the parasitic plasma self-emission are discussed. The probing technique mitigates detector saturation by self-emission and allowed to record a temporal scan of shadowgraphy data revealing details of the target ionization and expansion dynamics that were so far not accessible for the given laser intensity. Plasma expansion speeds of up to (2.3 ± 0.4)x 10 7 m/s followed by full target transparency at 1.4ps after the high intensity laser peak are observed. A three dimensional particle-in-cell simulation initiated with the diagnosed target pre-expansion at -0.2ps and post processed by ray tracing simulations supports the experimental observations and demonstrates the capability of time resolved optical diagnostics to provide quantitative input and feedback to the numerical treatment within the time frame of the relativistic laser-plasma interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Pressurizing Hagan and SAVY containers to 30-psig (air) to measure the release of analytical cerium oxide test powder

In response to an ESS surrounding the storage of sealed sources at TA-55, personnel from RP-SVS (Radiation Protection Services) and ORI-2 (Operational Readiness & Execution) were approached by ES-55 (Facility System Engineering) to provide technical testing of known nuclear material storage containers. Testing criteria were determined by SB-PF (Safety Basis for Plutonium Facilities). Tests were conducted in conjunction with multiple related projects at the Aerosol Sciences Laboratory (TA-03-0130-0103). An experimental system was quickly developed to deliver a pressure pulse (30-psig) that mimics a sealed source burst scenario. A series of twelve tests was conducted. Six tests were done with two different 5QT SAVY-4000 containers, where each SAVY filter-lid combination was subjected to three successive test insults. Three tests were done with a (0.375" diameter filter) 8Q.T Hagan container, and three tests with a (0.625" diameter filter) 8QT Hagan container. An unused, fresh container filter was used for each tested Hagan container, each receiving only one test insult per filter. Cerium oxide (CeO 2 ) powder was loaded (100 grams per test) into a nozzle in the tested Hagan and SAVY containers, and the nozzle was hard-plumbed to a ball valve and a pressure source. This system was installed into the Los Alamos RRFMC (Respirable Release Measurement Chamber), which is an integrated multipurpose aerosol wind tunnel that satisfies NQA-1 subpart 2.4 for R&D work. The ball valve was fitted with a mechanical linkage for operation from outside the wind tunnel. An aerodynamic particle sizer counted the particle concentrations and size distributions of released aerosol. Respirable aerosol released during the tests was measured and a correction factor for wind tunnel flowrate and internal duct deposition was applied.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Optimization and characterization of a silicon photomultiplier-based ZnS(Ag) proton recoil fast neutron detector for nuclear fuel performance monitoring at TREAT

The restart of the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory and consequent refurbishment of the Fuel Motion Monitoring System (FMMS), or Hodoscope, offers the opportunity to upgrade the detector system used for neutron imaging. Silicon photomultipliers (SiPMs) are a viable option for updating the Hodoscope to yield improved fuel monitoring capability. The Hodoscope uses ZnS(Ag) proton recoil scintillators (PRS) that provide good gamma-ray suppression and discrimination. Previous work showed that the Hamamatsu S13360-6075CS SiPM offers the best neutron detection and gamma-ray discrimination capability with the ZnS PRS. This work optimizes a SiPM-based detector and develops a PRS prototype for testing. Specifically, possible overvoltages for use are determined by confirming steady operation over extended measurement times. In addition, various SiPM-circuit implementations are tested to optimize the detector according to desired properties, and ultimately a PRS prototype is developed with modifiable components for versatile testing. Measurements of the neutron detection efficiency and gamma-ray rejection efficiency of SiPM-based PRS detectors and a reference PMT-based detector are also carried out. Neutron detection efficiency ranges between 1-2%, and detected gamma-ray rejection efficiency is on the order of 10 -7 . In conclusion, use of a low-pass filter only or a low-pass filter and 50-ω shunt resistor is recommended for the SiPM-based detector, and both configurations demonstrate improved performance over the PMT-based detector.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2023

Flow rate optimization for a small liquid argon system at Fermilab.

This analysis highlights the dominant role of pressure loss in filter disks, emphasizing its crucial consideration during the design phase to ensure optimal fluid flow. Additionally, the significance of vapor quality at the transfer line inlet is identified as a key factor impacting the fill rate. Reducing inlet vapor quality and exploring the use of subcooled liquid are recommended approaches to enhance system performance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Region of Interest Filter in DUNE DAQ

The Deep Underground Neutrino Experiment (DUNE) is the next generation neutrino experiment currently under construction. It consists of a broadband neutrino beam at Fermilab, a high precision near detector, and the largest liquid argon time projection chamber far detector ever designed at the Sanford Underground Research Facility (SURF). The Region of Interest (ROI) filter is designed for DUNE’s online Data Acquisition (DAQ) system to address data rate constraints and enable low energy physics in the <10 MeV range. The filter employs zero suppression on the detector signal, and by tuning the readout window and threshold the data rates can be reduced by >90%. Performance of the ROI is analyzed in LArsoft on MARLEY generated low energy MC events propagated through the detector simulation. Notably, the optimized ROI filter enables a lower trigger threshold for readout at ~5-10 MeV, allowing DUNE to explore low-energy physics, specifically focusing on solar boron 8 neutrinos which are relevant in this energy range. This advancement enhances DUNE's scientific capabilities, opening avenues for detailed analyses of previously inaccessible low-energy neutrino interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Status of CHIP-TRAP: The Central Michigan University High-Precision Penning Trap

Precise and accurate atomic mass data provide crucial information for applications in a wide range of fields in physics and beyond, including astrophysics, nuclear structure, particle and neutrino physics, fundamental symmetries, chemistry, and metrology. The most precise atomic mass measurements are performed on charged particles confined in a Penning trap. Here, we describe the development, status, and outlook of CHIP-TRAP: the Central Michigan University high-precision Penning trap. CHIP-TRAP aims to perform ultra-high precision (~1 part in 10 11 fractional precision) mass measurements on stable and long-lived isotopes produced with external ion sources and transported to the Penning traps. Along the way, ions of a particular m/q are selected with a multi-reflection time-of-flight mass separator (MR-TOF-MS), with further filtering performed in a cylindrical capture trap before the ions are transported to a pair of hyperbolic measurement traps. In this paper, we report on the design and status of CHIP-TRAP and present results from the commissioning of the ion sources, MR-TOF-MS, and capture trap. We also provide an outlook on the continued development and commissioning of CHIP-TRAP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

First fluctuation measurements using an Imaging Neutral Particle Analyzer on DIII-D

A recent upgrade to the Imaging Neutral Particle Analyzer (INPA) on DIII-D has allowed for the first fluctuation measurements using an INPA to be taken during a neoclassical tearing mode (NTM). The INPA signal tracked the mode over 150 ms as the mode frequency dropped to zero, capturing both the NTM with poloidal and toroidal mode numbers $m/n=2/1$ and a $3/2$ mode at double the frequency. Analysis shows that the signals originate from charge exchange events near the edge of the plasma, and relative fluctuation amplitudes are greater than 25% for the duration of the NTM. Filtered signals show frequency beating patterns that are phase-space dependent. Simulated signal is dominated by prompt transport from the neutral beams to the INPA sightline, while the contribution from the slowing down distribution is significantly lower. Simulated measurements in the range of pitches that the diagnostic is sensitive to (0.5≤|v∥/v|≤ 0.75) show the signal is dominated by trapped orbits that pass through magnetic islands near the edge of the plasma. Calculations of expected fluctuation levels show that only direct interaction with the NTM can provide the strong relative fluctuation levels seen experimentally. The prompt nature of the orbits and thin radial layer found to contribute to synthetic signals suggest INPA passive data may be used to measure the perturbations of confined orbits on a single pass through a plasma instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Real-time Anomaly Detection for Liquid Argon Time Projection Chambers

We present a real-time anomaly detection framework for liquid argon time projection chambers (LArTPCs), targeting applications in particle physics experiments such as the Short Baseline Near Detector (SBND) or the future Deep Underground Neutrino Experiment (DUNE). These experiments employ detectors that generate and stream high-resolution but sparse images of neutrino and other particle interactions. Our approach utilizes anomaly detection with autoencoders, compressed through knowledge distillation (KD), to enable the detection of anomalous signals in the data through efficient inference on resource-constrained hardware. The framework is targeted for deployment on computing platforms equipped with field-programmable gate arrays (FPGAs), GPUs, or CPUs, allowing low-latency selection of relevant activity directly from the raw detector data stream. We demonstrate that our approach is suitable for the detection and localization of anomalously "high-multiplicity" activity, and outline promising applications for LArTPC online data filtering and triggering.

FOS: Physical sciences↗

DOE OSTI2020

Ion-Exchange Modeling of Crystalline Silicotitanate for Cesium Removal - 20283

The Tank Closure Cesium Removal (TCCR) system is a Savannah River Site (SRS) demonstration 'at-tank' process designed to remove {sup 137}Cs from the high-level aqueous tank waste so that the decontaminated solution can be disposed as low-level waste. Cesium is removed by ion exchange (IX) columns using engineered IONSIV{sup TM} R9120-B form of the Crystalline Silicotitanate (CST) media. The TCCR system is deployed at Tanks 10 and Tank 11 in the SRS H Tank Farm. Water is added to the salt-cake in Tank 10 H to dissolve it. The dissolved salt solution waste is pumped out of Tank 10H (feed tank), through filters and IX columns. The decontaminated salt solution is transferred to Tank 11 (receipt tank), and on to Tank 50H for final disposal in the Saltstone Production Facility. The current TCCR can accommodate lead-lag (two-column) or lead-lag-guard (three-column) configurations to optimize media utilization and achieve the target decontamination. To assist the TCCR operations, a parametric study was conducted to evaluate the impact of different parameters (e.g., column configurations (single column, two columns or three columns in series), waste characteristics, operating temperature, process flow rate, CST average particle size) on the IX column performance including CST bed utilization. The initial results indicate that the IX column performance is improved at slower process flow rate, at lower operating temperature, and with smaller CST average particle size. Multi-column configurations are recommended, because the single-column configuration does not utilize CST bed effectively. This paper demonstrates the versatility of the ion exchange modeling to evaluate the effects of CST characteristics and operational parameters on IX column performances. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Snowmass2021 Cosmic Frontier White Paper: Rubin Observatory after LSST

The Vera C. Rubin Observatory will begin the Legacy Survey of Space and Time (LSST) in 2024, spanning an area of 18,000 square degrees in six bands, with more than 800 observations of each field over ten years. The unprecedented data set will enable great advances in the study of the formation and evolution of structure and exploration of physics of the dark universe. The observations will hold clues about the cause for the accelerated expansion of the universe and possibly the nature of dark matter. During the next decade, LSST will be able to confirm or dispute if tensions seen today in cosmological data are due to new physics. New and unexpected phenomena could confirm or disrupt our current understanding of the universe. Findings from LSST will guide the path forward post-LSST. The Rubin Observatory will still be a uniquely powerful facility even then, capable of revealing further insights into the physics of the dark universe. These could be obtained via innovative observing strategies, e.g., targeting new probes at shorter timescales than with LSST, or via modest instrumental changes, e.g., new filters, or through an entirely new instrument for the focal plane. This White Paper highlights some of the opportunities in each scenario from Rubin observations after LSST.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗