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At least 775 records · Page 43

Emulator-based Bayesian calibration of a subglacial drainage model

Subglacial drainage models, often motivated by the relationship between hydrology and ice flow, sensitively depend on numerous unconstrained parameters. We explore using borehole water-pressure time series to calibrate the uncertain parameters of a popular subglacial drainage model, taking a Bayesian perspective to quantify the uncertainty in parameter estimates and in the calibrated model predictions. To reduce the computation time associated with Markov Chain Monte Carlo sampling, we construct a fast Gaussian process emulator to stand in for the subglacial drainage model. We first carry out a calibration experiment using synthetic observations consisting of model simulations with hidden parameter values as a demonstration of the method. Using real borehole water pressures measured in western Greenland, we find meaningful constraints on four of the eight model parameters and a factor-of-three reduction in uncertainty of the calibrated model predictions. These experiments illustrate Gaussian process-based Bayesian inference as a useful tool for calibration and uncertainty quantification of complex glaciological models using field data. However, significant differences between the calibrated model and the borehole data suggest that structural limitations of the model, rather than poorly constrained parameters or computational cost, remain the most important constraint on subglacial drainage modelling.

58 GEOSCIENCES↗

Frequency-Domain Spectroscopic Study of the Photosystem I Supercomplexes, Isolated IsiA Monomers, and the Intact IsiA Ring

The PSI 3 -IsiA 18 supercomplex is one of the largest and most complicated assemblies in photosynthesis. The IsiA ring, composed of 18 IsiA monomers (IsiA 18 ) surrounding the PSI trimer (PSI 3 ), forms under iron-deficient condition in cyanobacteria and acts as a peripheral antenna. Based on the supercomplex structure recently determined via cryo-EM imaging, we model various optical spectra of the IsiA monomers and IsiA 18 ring. Comparison of the absorption and emission spectra of the isolated IsiA monomers and the full ring reveals that about 2.7 chlorophylls (Chls) are lost in the isolated IsiA monomers. The best fits for isolated monomers spectra are obtained assuming the absence of Chl 508, Chl 517 and 70% loss of Chl 511. The best model describing all three hexamers and the entire ring suggests that the lowest energy pigments are Chls 511, 514 and 517. Based on the modeling results presented in this work we conclude that there are most likely three entry points for EET from the IsiA6 hexamer to the PSI core monomer, with two of these entry points likely being located next to each other (i.e. nine entry points from IsiA 18 to the PSI 3 trimer). Lastly, we show that excitation energy transfer inside individual monomers is fast (< 2 ps at T = 5 K) and at least 20 times faster than inter-monomer energy transfer.

59 BASIC BIOLOGICAL SCIENCES↗

Fast Surface Oxygen Release Kinetics Accelerate Nanoparticle Exsolution in Perovskite Oxides

Exsolution is a recent advancement for fabricating oxide-supported metal nanoparticle catalysts via phase precipitation out of a host oxide. A fundamental understanding and control of the exsolution kinetics are needed to engineer exsolved nanoparticles to obtain higher catalytic activity toward clean energy and fuel conversion. Since oxygen release via oxygen vacancy formation in the host oxide is behind oxide reduction and metal exsolution, we hypothesize that the kinetics of metal exsolution should depend on the kinetics of oxygen release, in addition to the kinetics of metal cation diffusion. In this report we probe the surface exsolution kinetics both experimentally and theoretically using thin-film perovskite SrTi 0.65 Fe 0.35 O 3 (STF) as a model system. We quantitatively demonstrated that in this system the surface oxygen release governs the metal nanoparticle exsolution kinetics. As a result, by increasing the oxygen release rate in STF, either by reducing the sample thickness or by increasing the surface reactivity, one can effectively accelerate the Fe 0 exsolution kinetics. Fast oxygen release kinetics in STF not only shortened the prereduction time prior to the exsolution onset, but also increased the total quantity of exsolved Fe 0 over time, which agrees well with the predictions from our analytical kinetic modeling. The consistency between the results obtained from in situ experiments and analytical modeling provides a predictive capability for tailoring exsolution, and highlights the importance of engineering host oxide surface oxygen release kinetics in designing exsolved nanocatalysts.

36 MATERIALS SCIENCE↗

Assessing Historical Variability of South Asian Monsoon Lows and Depressions With an Optimized Tracking Algorithm

Abstract Cyclonic low‐pressure systems (LPS) produce abundant rainfall in South Asia, where they are traditionally categorized as monsoon lows, monsoon depressions, and more intense cyclonic storms. The India Meteorological Department (IMD) has tracked monsoon depressions for over a century, finding a large decline in their number in recent decades, but their methods have changed over time and do not include monsoon lows. This study presents a fast, objective algorithm for identifying monsoon LPS and uses it to assess interannual variability and trends in reanalyses. Variables and thresholds used in the algorithm are selected to best match a subjectively analyzed LPS data set while minimizing disagreement between four reanalyses in a training period. The stream function of 850 hPa horizontal wind is found to be optimal in this sense; it is less noisy than vorticity and represents the complete nondivergent wind, even when flow is not geostrophic. Using this algorithm, LPS statistics are computed for five reanalyses, and none show a detectable trend in monsoon depression counts since 1979. Both the Japanese 55‐year Reanalysis (JRA‐55) and the IMD data set show a step‐like reduction in depression counts when they began using geostationary satellite data, in 1979 and 1982, respectively; the 1958–2018 linear trend in JRA‐55, however, is smaller than in the IMD data set, and its error bar includes 0. There are more LPS in seasons with above‐average monsoon rainfall and in La Niña years, but few other large‐scale modes of interannual variability are found to modulate LPS counts, lifetimes, or track length consistently across reanalyses.

54 ENVIRONMENTAL SCIENCES↗

Exploring electron-beam induced modifications of materials with machine-learning assisted high temporal resolution electron microscopy

Directed atomic fabrication using an aberration-corrected scanning transmission electron microscope (STEM) opens new pathways for atomic engineering of functional materials. In this approach, the electron beam is used to actively alter the atomic structure through electron beam induced irradiation processes. One of the impediments that has limited widespread use thus far has been the ability to understand the fundamental mechanisms of atomic transformation pathways at high spatiotemporal resolution. Here, we develop a workflow for obtaining and analyzing high-speed spiral scan STEM data, up to 100 fps, to track the atomic fabrication process during nanopore milling in monolayer MoS 2 . An automated feedback-controlled electron beam positioning system combined with deep convolution neural network (DCNN) was used to decipher fast but low signal-to-noise datasets and classify time-resolved atom positions and nature of their evolving atomic defect configurations. Through this automated decoding, the initial atomic disordering and reordering processes leading to nanopore formation was able to be studied across various timescales. Using these experimental workflows a greater degree of speed and information can be extracted from small datasets without compromising spatial resolution. This approach can be adapted to other 2D materials systems to gain further insights into the defect formation necessary to inform future automated fabrication techniques utilizing the STEM electron beam.

36 MATERIALS SCIENCE↗

Engineering donor–acceptor conjugated polymers for high-performance and fast-response organic electrochemical transistors

To date, high-performance organic electrochemical transistors (OECTs) have mostly been based on polythiophene systems. Donor–acceptor (D–A) conjugated polymers are expected to be promising materials for OECTs owing to their high mobility and comparatively low crystallinity (good for ion diffusion). However, the OECT performance of D–A polymers lags far behind that of the polythiophenes. Here we synergistically engineered the backbone and side chain of a series of diketopyrrolopyrrole (DPP)-based D–A polymers and found that redox potential, molecular weight, solution processability, and film microstructures all have a severe impact on their performance. After systematic engineering, P(bgDPP-MeOT2) exhibited the best figure-of-merit (μC*) of 225 F cm -1 V -1 s -1 , amongst the highest performance of the reported D–A polymers. Besides, the DPP polymers exhibited high hole mobility of over 1.6 cm 2 V -1 s -1 , leading to fast response OECTs with a record low turn-off response time of 30 μs. The polymer also exhibited good operation stability with a current retention of 98.8% over 700 electrochemical switching cycles. This work reveals the complexity and systematicness in the development of D–A polymer based high-performance OECTs.

36 MATERIALS SCIENCE↗

Scaling Up CSP: How Long Will it Take?

Concentrating solar power (CSP) is one of the few scalable technologies capable of delivering dispatchable renewable power. Therefore, many expect it to shoulder a significant share of system balancing in a renewable electricity future powered by cheap, intermittent PV and wind power: the IEA, for example, projects 73 GW CSP by 2030 and several hundred GW by 2050 in its Net-Zero by 2050 pathway. In this paper, we assess how fast CSP can be expected to scale up and how long time it would take to get new, high-efficiency CSP technologies to market, based on observed trends and historical patterns. We find that to meaningfully contribute to net-zero pathways the CSP sector needs to reach and exceed the maximum historical annual growth rate of 30%/year last seen between 2010-2014 and maintain it for at least two decades. Any CSP deployment in the 2020s will rely mostly on mature existing technologies, namely parabolic trough and molten-salt towers, but likely with adapted business models such as hybrid CSP-PV stations, combining the advantages of higher-cost dispatchable and low-cost intermittent power. New third-generation CSP designs are unlikely to play a role in markets during the 2020s, as they are still at or before the pilot stage and, judging from past pilot-to-market cycles for CSP, they will likely not be ready for market deployment before 2030. CSP can contribute to low-cost zero-emission energy systems by 2050, but to make that happen, at the scale foreseen in current energy models, ambitious technology-specific policy support is necessary, as soon as possible and in several countries.

concentrated solar power↗

Characterization of the upgraded single-line-of-sight time-resolved x-ray imager using short-pulse visible and UV lasers

The single-line-of-sight time-resolved x-ray imager (SLOS-TRXI), a fast-gated x-ray imager used for capturing x-ray self-emission in inertial confinement fusion experiments on OMEGA, has been upgraded and characterized. SLOS-TRXI combines an electron-dilation imager and a hybrid complementary metal–oxide–semiconductor (hCMOS) sensor to capture multiple gated frames on a single line of sight with a temporal resolution of ~40 ps and a spatial resolution of 10 µm. The original hCMOS sensor with four frames was replaced with a newer-generation hCMOS sensor having eight frames. Gate characterizations of both the sensor and the entire SLOS-TRXI diagnostic were performed using ~10-ps FWHM visible (2ω) and UV (4ω) short-pulse lasers, respectively. A stepped echelon was used to generate a train of five UV laser pulses having an interpulse separation of 30 ± 3 ps. Characterization results of the hCMOS gating (2.28 ± 0.02-ns FWHM on average) and a temporal resolution of the upgraded SLOS-TRXI (34 ± 4-ps FWHM on average) are presented. A temporal magnification for the electron-dilation imager between 40 and 60 was inferred from the characterization results. Furthermore, the spatial resolution of the upgraded SLOS-TRXI remains the same in light of this work.

47 OTHER INSTRUMENTATION↗

Bayesian experimental design and parameter estimation for ultrafast spin dynamics

Abstract Advanced experimental measurements are crucial for driving theoretical developments and unveiling novel phenomena in condensed matter and materials physics, which often suffer from the scarcity of large-scale facility resources, such as x-ray or neutron scattering centers. To address these limitations, we introduce a methodology that leverages the Bayesian optimal experimental design paradigm to efficiently uncover key quantum spin fluctuation parameters from x-ray photon fluctuation spectroscopy (XPFS) data. Our method is compatible with existing theoretical simulation pipelines and can also be used in combination with fast machine learning surrogate models in the event that real-time simulations are unfeasible. Our numerical benchmarks demonstrate the superior performance in predicting model parameters and in delivering more informative measurements within limited experimental time. Our method can be adapted to many different types of experiments beyond XPFS and spin fluctuation studies, facilitating more efficient data collection and accelerating scientific discoveries.

97 MATHEMATICS AND COMPUTING↗

Laboratory Observation of Transition from Collisional Slow to Collisionless Fast Reconnection

Temporal transition of an externally driven antiparallel asymmetric magnetic reconnection from collisional slow to collisionless fast regime is observed in a laboratory plasma for the first time. Here, this transition is initiated when the two-fluid Hall effect begins to dominate over collisional effects at the X point, characterized by the ratio of electron-ion collision mean free path to current sheet thickness exceeding unity. Prior to the transition, an enhanced reconnection electric field develops on the low-density side where electrons are heated both ohmically and by large-amplitude lower-hybrid drift waves (LHDW) before collisionality at the X-point drop significantly. These LHDWs generate anomalous resistivity accounting for 30% of the reconnection electric field. The observed time evolution is consistent with the hybrid collisionless-collisional reconnection scenario relevant to onset of asymmetric reconnection in natural plasmas.

Shi, Peiyun [Princeton Plasma Physics Laboratory (↗

Modeling and Analysis of a Polyphase Wireless Power Transfer System for EV Charging Applications

Extreme fast charging is an emerging technology targeting to significantly decrease charging times of electric vehicles to 10–20 minutes, similar to an interstate gas refueling practice. High-power wireless power transfer (WPT) systems with polyphase electromagnetic couplers can be an attractive solution for these applications due to the very high surface power density of polyphase coils with reduced ripple current characteristics on both the primary and secondary sides that result in more compact designs with reduced dc bus bar capacitor requirements. In addition, WPT systems offer automated charging process, which can be an enabling technology for connected and automated vehicles, with high-efficiency, convenience, safety, and flexibility. This study presents a matrix representation of a mathematical model for a three-phase WPT system with series-series connected three-phase resonant compensation networks. Nonzero interphase mutual inductances between the same side phase windings are considered for tuning to obtain a circuit model for parametric sensitivity. Simulation and experimental results presented for a 50-kW experimental prototype to demonstrate the operation of the polyphase WPT system.

Zeng, Rong↗

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-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)↗

CONFIDANTE Demonstration Prototype Report

This report summarizes design optimization and performance evaluation studies for a new prototype CONFIDANTE (CONfirmation using a Fast-neutron Imaging Detector with Anti-image Null-positive Time Encoding) warhead confirmation system. It was found that a spherical mask geometry and a 2” diameter cylindrical central detector is expected to best discriminate between the parametrically varied source distributions that were evaluated. The optimized design as fabricated and its performance was evaluated in a series of laboratory measurements. The performance was in good agreement with the design studies, with demonstrated discrimination between objects with differences in scale on the order of 5 centimeters or better at 1 meter stand-off

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fuel Cell Membrane Electrode Assemblies with Ultra-Low Pt Nanofiber Electrodes (Final Report)

H 2 /air fuel cell membrane-electrode-assemblies (MEAs) were fabricated with electrospun particle/polymer nanofiber mat cathodes (0.1 mg Pt /cm 2 or 0.2 mg Pt /cm 2 Pt/C, PtCo/C or PtNi/C) and anodes (0.1 mg/cm 2 Pt/C), where the binder was a mixture of acid-form perfluorosulfonic acid ionomer (e.g., Nafion™) and poly(acrylic acid) (PAA) carrier polymer or sodium-form PFSA with a carrier polymer of either PAA or polyethylene oxide (PEO). For the latter two cases, the water-soluble carrier was removed from the fibers after electrospinning. MEAs with Pt/C anode/cathode catalyst loadings of 0.1 mg Pt /cm2 each, an 1100 EW PFSA binder (Nafion™ dispersion), and a Nafion 211 membrane produced high power at both high and low relative humidity (RH) conditions, e.g., a maximum power density of 919 mW/cm 2 at 100% RH and 832 mW/cm 2 at 40% RH for a test at 80 °C and 200 kPa abs . The high power at low RH was attributed to nm-size pores within the fibers that trap water via capillary condensation thus maintaining a high proton conductivity of the PFSA binder in the cathode and especially the anode while minimizing/eliminating ionic isolation of catalyst particles in low water content, poorly conductive binder. At the same time, micro-porosity between fibers in the cathode allows for fast removal of electrogenerated water, thus minimizing cathode flooding. Nanofiber MEAs with Pt alloy catalyst cathodes also performed well, where a fibrous PtCo/C catalyst cathode at a loading of 0.1 mg/cm 2 produced 20% more power than a conventional powder cathode MEA, e.g., a maximum power density of 1,045 mW/cm 2 vs. 869 mW/cm 2 at 80 °C, 100% RH, and 200 kPa abs , and a PtNi/C fiber cathode MEAs prepared with Na+-form Nafion + PEO generated a maximum power of 820 mW/cm 2 at 40% RH. Fiber electrode MEAs with a neat Nafion binder (prepared from Na+-form Nafion + PEO or PAA) where the cathode Pt loading was ~0.1 mg/cm 2 exhibited a 25% loss in maximum power at 30,000 metal dissolution cycles, as compared to a 12% loss when the cathode binder was H+-form Nafion + PAA. The performance of a fiber mat electrode MEA with Pt/C catalyst (0.2 mg/cm 2 cathode loading and 0.1 mg/cm 2 anode loading) was excellent. At 80 oC and 200 kPa abs , the maximum power density was 1104 mW/cm 2 . The maximum power was independent of feed gas humidity for 40 < RH < 100%. The power loss after a metal dissolution AST (30,000 voltage cycles) was only 13%.

08 HYDROGEN↗

Nanostructured Alumina Forming Austenitic Alloy (NAFA) Production using Advanced Manufacturing

Alumina-forming austenitic (AFA) alloys are well known for their exceptional corrosion-resistant properties due to the formation of a dense oxide scale beneficial in their application as a nuclear material. However, use of the alloys in core material applications is limited due to the high nickel-transmutation and helium generation rate in service, leading to swelling and reduced lifetimes. Enhancing the sink strength to pin gas bubbles and increasing gas management of the material may mitigate many of the degradation phenomena expected during alloy deployment (such as high-temperature helium embrittlement and cavity swelling for lead-cooled fast-reactor applications). Nanostructured materials are usually produced using a time-consuming and expensive batch process like mechanical alloying to achieve the fine homogenous distribution of nanoprecipitates throughout the matrix material. Integrating the nanoprecipitates in modern additive manufacturing processes has proven difficult, as the required nano-sizes or number densities cannot be achieved simultaneously. Efforts to increase the number density of precipitates by adding more precipitate-forming rare-earth elements led to agglomeration of such elements, while the nano-sized precipitates did not form in sufficient quantity when not enough rare-earth element was use. In this work a novel approach to advanced manufacturing and the fabrication of Nanostructured AFA (NAFA) materials was chosen. A dual precipitate-forming NAFA steel with a chemistry more suitable for advanced reactor applications was produced to create an environmentally resistant, high-sink-strength austenitic alloy for advanced reactor cladding applications.

36 MATERIALS SCIENCE↗

Nanostructured Alumina-Forming Austenitic Alloy (NAFA) Production Using Advanced Manufacturing

Alumina-forming austenitic (AFA) alloys are well known for their exceptional corrosion-resistant properties due to the formation of a dense oxide scale beneficial in their application as a nuclear material. However, use of the alloys in core material applications is limited due to the high nickel-transmutation and helium generation rate in service, leading to swelling and reduced lifetimes. Enhancing the sink strength to pin gas bubbles and increasing gas management of the material may mitigate many of the degradation phenomena expected during alloy deployment (such as high-temperature helium embrittlement and cavity swelling for lead-cooled fast-reactor applications). Nanostructured materials are usually produced using a time-consuming and expensive batch process like mechanical alloying to achieve the fine homogenous distribution of nanoprecipitates throughout the matrix material. Integrating the nanoprecipitates in modern additive manufacturing processes has proven difficult, as the required nano-sizes or number densities cannot be achieved simultaneously. Efforts to increase the number density of precipitates by adding more precipitate-forming rare-earth elements led to agglomeration of such elements, while the nano-sized precipitates did not form in sufficient quantity when not enough rare-earth element was use. In this work a novel approach to advanced manufacturing and the fabrication of Nanostructured AFA (NAFA) materials was chosen. A dual precipitate-forming NAFA steel with a chemistry more suitable for advanced reactor applications was produced to create an environmentally resistant, high-sink-strength austenitic alloy for advanced reactor cladding applications.

36 MATERIALS SCIENCE↗

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 ↗