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At least 793 records · Page 44

A Cohesive Deep Drilling Field Strategy for LSST Cosmology

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will image billions of astronomical objects in the wide–fast–deep primary survey and in a set of minisurveys including intensive observations of a group of deep drilling fields (DDFs). The DDFs are a critical piece of three key aspects of the LSST Dark Energy Science Collaboration (DESC) cosmological measurements: they provide a required calibration for photometric redshifts (photo- z ) and weak gravitational lensing (WL) measurements and they directly contribute to cosmological constraints from the most distant Type Ia supernovae (SNe Ia). We present a set of cohesive DDF strategies fulfilling science requirements relevant to DESC and following the guidelines of the Survey Cadence Optimization Committee. We propose a method to estimate the observing strategy parameters and we perform simulations of the corresponding surveys. We define a set of metrics for each science case to assess the performance of the proposed observing strategies. We show that the most promising results are achieved with deep rolling surveys characterized by two sets of fields: ultradeep fields ( z ≲ 1.1) observed at a high cadence with a large number of visits over a limited number of seasons, and deep fields ( z ≲ 0.7), observed with a cadence of ~3 nights for 10 yr. These encouraging results should be confirmed with realistic simulations using the LSST scheduler. A DDF budget of ~8.5% is required to design observing strategies satisfying all the cosmological requirements. A lower DDF budget leads to surveys that either do not fulfill the photo- z /WL requirements or are not optimal for SN Ia cosmology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Hardware-in-the-Loop Evaluation of an Advanced Distributed Energy Resource Management Algorithm

This paper presents the laboratory performance evaluation of voltage regulation under a new distributed energy resource management system (DERMS) algorithm via an advanced hardware-in-the-loop (HIL) platform. The HIL platform provides realistic testing in a laboratory environment, including the accurate modeling of a full-scale real-world distribution system from a utility partner, the DERMS software controller, and power hardware photovoltaic (PV) inverters. The new DERMS algorithm is developed based on online multi-objective optimization (OMOO) algorithms that perform fast dispatch of distributed solar PV simulated in a real-time digital simulator and real physical hardware devices. Experimental tests confirm the correct functioning of the HIL platform for evaluating controller algorithms and satisfactory voltage regulation performance of the developed OMOO algorithms.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Hardware-in-the-Loop Evaluation of an Advanced Distributed Energy Resource Management Algorithm: Preprint

This paper presents the laboratory performance evaluation of voltage regulation under a new distributed energy resource management system (DERMS) algorithm via an advanced hardware-in-tbe-loop (HIL) platform. The HIL platform provides realistic testing in a laboratory environment, including the accurate modeling of a full-scale real-world distribution system from a utility partner, the DERMS software controller, and power hardware photovoltaic (PV) inverters. The new DERMS algorithm is developed based on online multiobjective optimization (OMOO) algorithms that perform fast dispatch of distributed solar PV simulated in a real-time digital simulator and real physical hardware devices. Experimental tests confirm the correct functioning of the HIL platform for evaluating controller algorithms and satisfactory voltage regulation performance of the developed OMOO algorithms.

41 EE - Solar Energy Technologies Office (EE-4S)↗

The Transient Reactor Test Facility (TREAT)

TREAT operated from 1959-1994, later refurbished & resumed operation in 2017 to support fuel safety testing Zircaloy-clad graphite/fuel blocks comprise core Virtually any power history possible within ~2000 MJ core transient energy capacity From milliseconds to minutes: Pulses, Ramps, LOCA Fuel motion monitoring system “hodoscope” observes fast neutrons emitted from specimens to track fuel relocation in real time Reactor also can be a neutron source to adjacent radiography facility Experiment vehicle does everything else Safety containment, specimen environment, and instrumentation

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition

In simulations of aqueous systems, it is common to freeze the bond vibration and angle bending modes in water to allow for a longer time step δt for integrating the equations of motion. Thus, δt = 2 fs is often used in simulating rigid models of water. We simulate the SPC/E model of water using δt from 0.5 to 3.0 fs and up to 4 fs using hydrogen mass repartitioning. In these simulations, we find that for all but δt = 0.5 fs, equipartition is not obtained between translational and rotational modes, with the rotational modes exhibiting a lower temperature than the translation modes. To probe the reasons for the lack of equipartition, we study the autocorrelation of the translational velocity of the center of mass and the angular velocity of the rigid water molecule, respectively. Here, we find that the rotational relaxation occurs on a timescale comparable to vibrational periods, calling into question the original motivations for freezing the vibrations. Furthermore, a time step with δt ≥ 1 fs is not able to capture accurately the fast rotational relaxation, which reveals its impact as an effective slowing-down of rotational relaxation. The fluctuation–dissipation relation then leads to the conclusion that the rotational temperature should be cooler for δt greater than the reference value of 0.5 fs. Consideration of fluctuation–dissipation in equilibrium molecular dynamics simulations also emphasizes the need to capture the temporal evolution of fluctuations with fidelity and the role of δt in this regard. The time step also influences the solution thermodynamic properties: both the mean system potential energies and the excess entropy of hydration of a soft repulsive cavity are sensitive to δt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics and energy coupling of gas puff Z-pinches on a fast linear transformer driver

Gas puff Z-pinch experiments with annular Ar and Ne gas shells have been conducted on the Compact Experimental System for Z-pinch and Ablation Research (CESZAR) linear transformer driver (LTD) with 500 kA current and 160 ns rise time. Here, we present results from the first systematic gas puff Z-pinch experiments using a fast (≤ 200 ns) LTD as a driver, in which we show that 7% of the stored energy in the capacitors is coupled to plasma kinetic energy as estimated via self-emission and laser schlieren images. 0D and 1D simulations—which do not allow instability growth and thus reach greater maximum average velocities—using initial conditions inferred from experimental implosion trajectories predict coupling in excess of 10% of the stored energy. Additionally, the Ar and Ne implosions were comparably massed and thus achieved similar maximum kinetic energies, though the Ne pinches were more stable and the x-ray pulses were longer and produced higher yield: 2–5 ns and 0.21–0.52 J (0.15–0.37 J/cm) of Ar K-shell and 12–25 ns and 2.2–3.9 J (1.6–2.6 J/cm) of Ne K-shell, respectively. The difference in stability is most likely attributed to variations in initial conditions such as density distribution and gas breakdown initiation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Low power implementation of high frequency SiPM readout for Cherenkov and scintillation detectors in TOF-PET

State-of-the-art (SoA) electronic readout for silicon photomultiplier (SiPM)-based scintillation detectors that demonstrate experimental limits in achievable coincidence time resolution (CTR) leverage low noise, high frequency signal processing to facilitate a single photon time response that is near the limit of the SiPMs architecture. This readout strategy can optimally exploit fast luminescence and prompt photon populations, and promising measurements show detector concepts employing this readout can greatly advance PET detector CTR, relative to SoA in clinical systems. However, the technique employs power hungry components which make the electronics chain impractical for channel-dense time-of-flight (TOF)-PET detectors. We have developed and tested a low noise and high frequency readout circuit which is performant at low power and consists of discrete elements with small footprints, making it feasible for integration into TOF-PET detector prototypes. A 3 × 3 mm 2 Broadcom SiPM with this readout chain exhibited sub-100 ps single photon time resolution at 10 mW of power consumption, with a relatively minor performance degradation to 120 ± 2 ps FWHM at 5 mW. CTR measurements with 3 × 3 × 20 mm 3 LYSO and fast LGSO scintillators demonstrated 127 ± 3 ps and 113 ± 2 ps FWHM at optimal power operation and 133 ± 2 ps and 121 ± 3 ps CTR at 5 mW. BGO crystals 3 × 3 × 20 mm 3 in size show 271 ± 5 ps FWHM CTR (1174 ± 14 ps full-width-at-tenth-maximum (FWTM)) at optimal power dissipation and 289 ± 8 ps (1296 ± 33 ps FWTM) at 5 mW. The compact and low power readout topology that achieves this performance thereby offers a platform to greatly advance PET system CTR and also opportunities to provide high performance TOF-PET at reduced material cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Collective mode Brownian dynamics: A method for fast relaxation of statistical ensembles

Sampling equilibrium configurations of correlated systems of particles with long relaxation times (e.g., polymeric solutions) using conventional molecular dynamics and Monte Carlo methods can be challenging. This is especially true for systems with complicated, extended bond network topologies and other interactions that make the use and design of specialized relaxation protocols infeasible. We introduce a method based on Brownian dynamics simulations that can reduce the computational time it takes to reach equilibrium and draw decorrelated samples. Importantly, the method is completely agnostic to the particle configuration and the specifics of interparticle forces. In particular, we develop a mobility matrix that excites non-local, collective motion of N particles and can be computed efficiently in $\mathcal{O}(N)$ time. Particle motion in this scheme is computed by integrating the overdamped Langevin equation with an Euler–Maruyama scheme, in which Brownian displacements are drawn efficiently using a low-rank representation of the mobility matrix in position and wave space. We demonstrate the efficacy of the method with various examples from the realm of soft condensed matter and release a massively parallel implementation of the code as a plugin for the open-source package HOOMD-blue [J. A. Anderson et al., J. Comput. Phys. 227, 5342 (2008) and J. Glaser et al., Comput. Phys. Commun. 192, 97 (2015)] which runs on graphics processing units

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

IMPACT: Design of Integrated Multiphysics Producible Additive Components for Turbomachinery

The overall objective of the IMPACT program was to enable a dramatic reduction in design maturation time for an additive hot-section turbomachinery component through the following: • A fast crack-risk producibility surrogate model generated from machine learning applied to additive process simulation data generated via exascale computing, • Linking this surrogate model to multi-physics topology optimization (TO) to enable the creation of producible, near-optimal structural/thermal designs for additive hot-section components, • Maturing this toolset to reduce hot-section component design-for-manufacturing iterations by a large fraction, and eventually, • Using these tools to develop more efficient gas turbines in much shorter design cycle times.

42 ENGINEERING↗

Color as a tool for quantitative analysis of heterogeneous polymer degradation

Polymers are widely used industry, but degrade due to environmental conditions, such as elevated temperature or radiation. The degradation of polymers is dominated oxidation in oxygenated environments. Such oxidation is commonly referred to as thermal-oxidation or photo-oxidation and in many situations is heterogeneous through thickness of the polymer. While heterogeneous oxidation of polymers is a common phenomenon, the effect on the lifetime of polymers is not well understood as methods to evaluate such oxidation are time consuming and challenging to implement. Here we show a novel method for quantitative evaluation of heterogeneous oxidation in polymers using a fast and accurate color approach. The proposed color approach was observed to improve the efficiency of obtaining heterogenous oxidation profiles in half the time of common approaches, such as indention or Fourier transform infrared spectroscopy. Furthermore, the method was found to produce trends similar to that observed using common approaches and the applicability of the method was verified by mapping oxygen concentration through thickness using energy dispersive X-ray spectroscopy. Lastly, the utility of the proposed method was demonstrated through the generation of an oxidation design space, which is envisioned to assist with designing experiments towards estimation of polymer lifetime. Finally, we anticipate this work to be a starting point for further evaluation of heterogeneous oxidation in polymers using optical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling the Dynamics of Energetic Protons in Earth's Inner Magnetosphere

Recently, Van Allen Probes data have revealed the interesting energy-dependent dynamics of energetic protons in Earth's inner magnetosphere. To quantify the role of radial diffusion and charge exchange to the observed energy-dependent dynamics of ring current protons, a 1D radial diffusion model with charge exchange loss is implemented. The observed proton flux over the long-term period of November 2012 to September 2013 is first converted to phase space densities, which are then simulated by our model driven by an outer boundary condition at L* = 5.5 derived from the data. The simulation results show that our model generally captures the transport and acceleration of energetic protons at μ = 30, 50, and 80 MeV/G and K = 0.11 G 1/2 R E , suggesting that radial diffusion is the dominant source mechanism for >75 keV protons at L* = 3.5–5.5. Additionally, the observed fast decay of protons at lower μ and slow decay at higher μ are well captured by the model, demonstrating the dominant role of charge exchange in explaining the observed energy-dependent proton decay. For higher μ protons, prompt losses of protons on the time scale of hours are observed over a wide range of L*, which is too fast to be explained by charge exchange. Some of the prompt losses at high L* regions are reproduced by the model with outward radial diffusion to the outer boundary. However, many prompt losses observed at lower L* regions are not captured by the model, which could be due to other loss mechanisms including electromagnetic ion cyclotron wave scattering and field line curvature scattering.

79 ASTRONOMY AND ASTROPHYSICS↗

Calculation of rf-induced temporal jitter in ultrafast electron diffraction

A significant contribution to the temporal resolution of an ultrafast electron diffraction (UED) instrument is arrival time jitter caused by amplitude and phase variation of radio-frequency (rf) cavities. In this paper, we present a semianalytical approach for calculating rf-induced temporal jitter from klystron and rf cavity parameters. Our approach allows fast estimation of temporal jitter for MeV-UED beamlines and can serve as a virtual timing tool when shot-to-shot measurements of rf amplitude and phase jitters are available. A simulation study for the SLAC MeV-UED instrument is presented, and the temporal resolution of several beamline configurations is compared.

47 OTHER INSTRUMENTATION↗

Asymmetric Lithium Extraction and Insertion in High Voltage Spinel at Fast Rate

Spinel-structured ordered-LiNi 0.5 Mn 1.5 O 4 (o-LNMO) has experienced a resurgence of interest in the context of reducing scarce elements such as cobalt from lithium-ion battery. O-LNMO undergoes two two-phase reaction at slow rates. However, it is not known if such phenomenon also applies at fast rates. Herein, we investigate the rate-dependent phase transition behavior of o-LNMO through in operando time-resolved X-ray diffraction. The results indicate that a narrow region of solid solution reaction exists for charge and discharge at both slow and fast rate. The overall phase transition is highly asymmetric at fast rates. During fast charge, it is a particle-by-particle mechanism resulting from asynchronized reaction among the particles. Finally, during fast discharge, it is likely a core-shell mechanism involving transition from Li 0+x Ni 0.5 Mn 1.5 O 4 to Li 1+x Ni 0.5 Mn 1.5 O 4 in the outer layer of particles. The Li 0.5 Ni 0.5 Mn 1.5 O 4 phase is suppressed during fast discharge and only appears through Li redistribution upon relaxation.

25 ENERGY STORAGE↗

Comparison of Feschenko BSM and Fast Faraday Cup with Low Energy Ion Beams

A comparison between Fast Faraday Cup and Feschenko longitudinal bunch shape detectors was recently performed at HELIAC Advanced Demonstrator beamline at GSI. Feschenko bunch shape monitor (BSM) uses the time to space conversion by means of secondary electrons emitted from a wire correlated to a rf deflector, while the fast Faraday cup (FFC) measures the deposited charge in a cup geometry matched to 50 Ohm. The FFC design aims to minimize the bunch shape dilution due to field polarization and secondary electrons produced on irradiation. An He¹⁺ with 100 µA average current and 1.4 MeV/u kinetic energy is utilized for this comparison. A buncher upstream of the detectors was operated to focus the beam longitudinally. The results are discussed in this contribution.

43 PARTICLE ACCELERATORS↗

A multi-channel x-ray temporal diagnostic for measurement of time-resolved electron temperature in cryogenic deuterium–tritium implosions at OMEGA

Electron-temperature (T e ) measurements in implosions provide valuable diagnostic information, as Te is unaffected by residual flows and other non-thermal effects unlike ion temperature inferred from a fusion product spectrum. In OMEGA cryogenic implosions, measurement of T e (t) can be used to investigate effects related to time-resolved hot-spot energy balance. The proposed diagnostic utilizes five fast-rise (~15 ps) scintillator channels with distinct x-ray filtering. Furthermore, titanium and stepped aluminum filtering were chosen to maximize detector sensitivity in the 10 keV–20 keV range, as it has been shown that these x rays have similar density and temperature weighting to the emitted deuterium–tritium fusion neutrons. Initial data collected using a prototype nosecone on the existing neutron temporal diagnostic demonstrate the validity of this diagnostic technique. The proposed system will be capable of measuring spatially integrated T e (t) with 20 ps time resolution and <10% uncertainty at peak emission in cryogenic DT implosions.

47 OTHER INSTRUMENTATION↗

Real-time capable modeling of ICRF heating on NSTX and WEST via machine learning approaches

Abstract A real-time capable core Ion Cyclotron Range of Frequencies (ICRF) heating model on NSTX and WEST is developed. The model is based on two nonlinear regression algorithms, the random forest ensemble of decision trees and the multilayer perceptron neural network. The algorithms are trained on TORIC ICRF spectrum solver simulations of the expected flat-top operation scenarios in NSTX and WEST assuming Maxwellian plasmas. The surrogate models are shown to successfully capture the multi-species core ICRF power absorption predicted by the original model for the high harmonic fast wave and the ion cyclotron minority heating schemes while reducing the computational time by six orders of magnitude. Although these models can be expanded, the achieved regression scoring, computational efficiency and increased model robustness suggest these strategies can be implemented into integrated modeling frameworks for real-time control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Atomic Force Microscope Active Optical Probe for Single-Molecule Imaging and Time-Resolved Optical Spectroscopy (DOE SBIR Phase II/IIA Final Report)

Actoprobe LLC reports on the results of its DOE SBIR Phase II/IIA project on the development of Atomic Force Microscope Active Optical Probe for Single-Molecule Imaging and Time-Resolved Optical Spectroscopy. While chemistry science and technology greatly benefit from Atomic Force Microscopy in surface characterization, time-resolved chemical imaging on the single-molecule level lags far behind. Current scanning probe microscopy only obtains information about mechanical but not optical/chemical properties. To address this problem, the Actoprobe LLC research team has proposed a novel class of Atomic Force Microscopy probes, Ultra-Fast Pulsed Active Atomic Force Microscopy Optical Probes (UFP AAOPs), that will allow ultrafast time-resolved optical and chemical imaging at the nanoscale. As envisioned, these unique optical probes will perform the functions of conventional Atomic Force Microscopy probes and, in addition, will simultaneously provide chemical information about molecular scale interactions. This innovation is accomplished by integrating an ultrafast pulsed Quantum Dot laser source into an Atomic Force Microscopy probe. This report describes our progress with the fabrication of an ultrafast micrometer-size semiconductor laser, based on “artificial atoms” - Quantum Dots, integrated with an Atomic Force Microscopy probe. In this Phase II/IIA project, we have demonstrated the feasibility of the UFP AAOP concept by fabricating a first prototype of the UFP AAOP. The excellent performance of the probe has been proven in terms of AFM and optical spatial resolution through rigorous tests. The UFP AAOP provides pulses with less than 4 ps duration and higher than 11 GHz repetition rate, and spatial resolution better than 300 nm at 1240 nm wavelength. Technically, it is possible to reduce the pulse width to less than 1 ps and to improve lateral resolution to ~ 0.5 nm, which implies the potential capability for the probe to characterize chemical compounds with single-molecule resolution. The UFP AAOP fabrication procedure has been developed for wafer-scale production of multiple devices, with the yield of the process estimated to be lower than 1% with the limited fabrication capabilities and equipment available for use in the research project. However, using high-volume production tools and special GaAs processing equipment, the yield can be significantly improved, theoretically to ~ 50%. Finally, economic feasibility and scale-up manufacturing potential were analyzed for UFP AAOP and found to be very promising. In summary, the Actoprobe team has successfully demonstrated the feasibility of the UFP AAOP concept.

36 MATERIALS SCIENCE↗

Technology Transfer Excellence Award NTXBio

While a scientist at Los Alamos National Laboratory, Dr. Alex Koglin developed two compounds to create a better vaccine for Tuberculosis (TB). In 2015, Dr. Koglin took an entrepreneurial leave of absence from the Laboratory to start NTXBio, LLC. His objective was to develop and commercialize a TB vaccine based on two compounds he created while a scientist at the Los Alamos. In 2018, a total of 1.5 million people died from TB. According to the World Health Organization TB is the leading infectious disease resulting in death worldwide. Approximately one-quarter of the world’s population is infected with mycobacterium tuberculosis, the bacteria that causes TB. Dr. Koglin non-exclusively licensed the two compounds from Los Alamos and began further development of the technology in collaboration with the Government of South Africa and universities to address the need for a vaccine to prevent TB. In their research and development of the compounds there was no evidence of cross resistance between other bacteria and the bacteria that causes TB. The compounds were tested in mouse models and demonstrated they can treat TB. Also, the tests have not shown any of the massive side effects that the current treatments for TB are showing. The company started production of the compounds using current manufacturing processes. Using these processes NTXBio could not produce the compounds at a reasonable price to be available for patients in third world countries. The company shifted to developing a new methodology “invitro synthetic biology” that can increase the production of these compounds and other vaccine molecules in a more affordable way. Dr. Koglin’s startup NTXBio is working to positively influence and secure the world vaccine supply by developing rapid on-demand production of the full spectrum of protein vaccines. Starting with the TB vaccine and advancing to common childhood vaccines, emergency and experimental vaccines such as those needed for COVID-19. NTXBio is capable of accelerated prototyping and manufacturing with increased purity and greater stability while reducing both cost and production time. The newly developed production methodology can be applied to not only the TB compounds licensed from Los Alamos, but also to their compounds that advance vaccine production for other diseases. Their technology produces vaccines fast enough to be fully deployable in areas without the need of specialized storage conditions and response times.

60 APPLIED LIFE SCIENCES↗