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At least 325 records · Page 18

Left-right canted-cosine-theta magnets

Disclosed herein are superconducting gantry magnets that include multiple quadrupole winding sections placed in sequence on a curve such that the effective current direction is reversed between sections. This produces alternating quadrupole field regions along the length of the bend whose individual integral strengths can be tuned by the location of the current polarity transitions. A simple transition scheme to reverse the current between sections can be implemented to allow for the use of one continuous winding and power supply. Dipole windings can be included in the superconducting gantry magnets so that the magnets produce superposed dipole and alternating quadrupole fields. The disclosed design for the windings and transition scheme to reverse current polarity can be implemented for higher order multipoles as well.

43 PARTICLE ACCELERATORS↗

Predicting Missing Regions in Charged Particle Tracks Using a Sparse 3D Convolutional Neural Network

The 2x2 Demonstrator is a prototype detector for the Deep Underground Neutrino Experiment (DUNE)'s Near Detector. Both the 2x2 Demonstrator and the Near Detector itself will have inactive regions wherein there is no sensitivity to charge deposition and light signals that arise from charged particle interactions with liquid argon. In the 2x2, these inactive regions are positioned in-between the active detector modules, which introduces the challenge of inferring what charge signals ought to look like in these regions. This study explores the use of a Sparse 3D Convolutional Neural Network (ConvNet) to infer missing regions in charged particle tracks. Hits corresponding to energy depositions are voxelized into a three-dimensional (3D) grid for each track. Inactive regions within the tracks are replaced with a dense, rectangular 3D grid of voxels, ensuring consistent step sizes in X, Y, and Z directions. Voxels in these dense regions are initialized with an energy value of -1, indicating nonphysical energy or charge. The model is trained to predict which voxels should activate as part of the track and which should not, with the goal of eventually inferring the missing charge or energy values in these voxels. Results indicate that the model accurately predicts track voxels within 1 unit in X, Y, or Z directions and effectively identifies non-track voxels, despite some overprediction. The approach shows promise in prediction of missing track regions with some accuracy.

Utaegbulam, Hilary↗

Directed Flow and the Chiral Magnetic Effect in Ultrarelativistic Collisions with CMS at the LHC (Final Technical Report for DOE Grant # DE-SC0021080)

This Final Technical Report covers the years of activity for the Grant DE-SC0021080. It reflects the efforts of Alice Mignerey, the PI, Timothy Koeth, the co-PI, graduate students Eric Adams and Samuel Lascio, and undergraduates Alyssa Marinelli and Max Bernard. Results from three separate aspects of the project are presented: 1) understanding the radiation damage of the positive and negative sides of the Spectator Reaction Plane detector (SRPD) for data from the 2018 PbPb run at the CERN LHC. 2) Results of the directed flow in PbPb collisions at $\sqrt{SNN}$ = 5.02 TeV. 3) Activation studies of the sectors of the positive side of the SRPD and radiation damage studies on fused quartz using the Maryland 4-MeV electron accelerator. The most significant result is that the reaction plane derived directed flow for both participant and spectator reaction planes is many times larger than that obtained by ALICE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Directed Flow and the Chiral Magnetic Effect in Ultrarelativistic Collisions with CMS at the LHC (Final Technical Report for DOE Grant # DE-SC0021080)

This Final Technical Report covers the years of activity for the Grant DE-SC0021080. It reflects the efforts of Alice Mignerey, the PI, Timothy Koeth, the co-PI, graduate students Eric Adams and Samuel Lascio, and undergraduates Alyssa Marinelli and Max Bernard. Results from three separate aspects of the project are presented: 1) understanding the radiation damage of the positive and negative sides of the Spectator Reaction Plane Detector (SRPD) for data from the 2018 PbPb run at the CERN LHC. 2) Results of the directed flow in PbPb collisions at √sN N = 5.02 TeV. 3) Activation studies of the sectors of the positive side of the SRPD and radiation damage studies on fused quartz using the Maryland 4-MeV electron accelerator. The most significant result is that the reaction plane derived directed flow for both participant and spectator reaction planes is many times larger than that obtained by ALICE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Experimental and Numerical Study on the Effect of Nitric Oxide on Autoignition and Knock in a Direct-Injection Spark-Ignition Engine

We report Nitric Oxide (NO) can significantly influence the autoignition reactivity and this can affect knock limits in conventional stoichiometric SI engines. Previous studies also revealed that the role of NO changes with fuel type. Fuels with high RON (Research Octane Number) and high Octane Sensitivity (S = RON – MON (Motor Octane Number)) exhibited monotonically retarding knocklimited combustion phasing (KL-CA50) with increasing NO. In contrast, for a high-RON, low-S fuel, the addition of NO initially resulted in a strongly retarded KL-CA50 but beyond the certain amount of NO, KL-CA50 advanced again. The current study focuses on same high-RON, low-S Alkylate fuel to better understand the mechanisms responsible for the reversal in the effect of NO on KLCA50 beyond a certain amount of NO. Experiments were conducted to measure the responses of KL-CA50 and trace-autoignition CA50, the latter being indicative of CA50 at which end-gas autoignition starts to become measurable from the apparent heat-release rate. Chemical-kinetics simulations were conducted to reveal the role of NO for end-gas autoignition, with a specific focus on sequential autoignition in a thermally stratified end-gas. The simulation results reveal that the magnitude of low-temperature heat release (LTHR) generally increases with NO. However, the relative importance of NO for enhancing LTHR diminishes when the LTHR inherent to a fuel’s chemistry is strong, such as at lower temperatures in a thermal boundary layer. This rendered more uniform LTHR within a hypothetical thermal boundary and led to a more sequential (i.e. slower) autoignition event. It was also revealed that a change in compression ratio influences the importance of intermediate-temperature heat release (ITHR) due to changes of the temperature-pressure history of the end-gas. Together with the condition where end-gas autoignition occurs more sequentially, the shorter time spent in LTHR and ITHR regime can counter the increase in autoignition reactivity at high NO levels and allow KLCA50 to advance

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Threshold behaviors of direct and Hall currents in topological spin-Hall effect

Here we study spin-dependent direct and Hall conductivities in the threshold region of Fermi energy, ε F = 2J, where J is the exchange integral between the conduction electron spins and the skyrmion spin texture. For ε F at the threshold value and above the spin-down electrons are allowed to exist. We find the two in the direct and four narrow peaks in the Hall conductivities for Fermi energies slightly below the threshold value. The found effects are dramatic because the electric current changes by approximately eight times in the narrow range of gate voltages (~4 meV). The values of the peaks strongly depend on skyrmion size. For small and very large skyrmion sizes the peak amplitudes are small compared to the conductivity absolute values. At the skyrmion radius a = 6 nm and very light conduction electrons, m* ~ 10 -2 m e , the extrema are the most pronounced. The temperature evolution reveals the strong smearing effect where the peak-wise behavior completely disappears at room temperatures. Spin transistor could be considered for possible applications where in the narrow region of gate voltage the sharp conductivity change occurs.

36 MATERIALS SCIENCE↗

Tailoring material microstructure and property in wire-laser directed energy deposition through a wiggle deposition strategy

Developing effective strategies to directly control material microstructure, property, and anisotropy is an active research area in metal additive manufacturing. This work develops a wiggle deposition pattern for wire-laser directed energy deposition (DED) of 316L stainless steel (SS) to modify the solidification texture, particularly in the building direction, in as-deposited samples. Through multi-physics simulation, operando near-infrared imaging, and synchrotron x-ray characterization, it is found that the wiggle deposition strategy induces highly dynamic melt flow and oscillating thermal gradient in the melt pool, which is responsible for the variation of preferable grain growth direction and crystallographic texture in the sample. The specific texture reduces the anisotropy in the tensile strength of as-printed 316L SS samples cut along different directions. Also, it largely increases the ductility along the build direction. Crystal plasticity simulation is performed to correlate the sample texture with mechanical property. In conclusion, this work offers a unique approach for tailoring local properties through the control of melt pool instability by applying different tool paths.

36 MATERIALS SCIENCE↗

Cyclone Fani: the tug-of-war between regional warming and anthropogenic aerosol effects

Before Cyclone Amphan took place in 2020, Cyclone Fani (May 2019) is the strongest pre-monsoon cyclone in the Bay of Bengal (BOB) since 1991, killing 90 people in eastern India and Bangladesh while causing US$1.81 billion of damages. Fani developed during a period of high concentration of anthropogenic aerosols in the BOB with abnormally high sea surface temperature (SST), thereby presenting an opportunity to understand the compound effects of atmospheric aerosols and regional climate warming on a tropical cyclone. A quantitative attribution analysis was conducted using the Weather Research and Forecasting model with chemistry (WRF-Chem) run at the convection-permitting (4 km) grid spacing, accompanied by an ensemble of coarser-resolution simulations to quantify the uncertainty. The removal of post-1990 trends in the tropospheric variables and SST from WRF-Chem's initial conditions (IC) and boundary conditions (BC, including the lateral and lower boundary conditions) resulted in a reduction of cyclone precipitation by about 51% during the 5 d of April 28-May 2. The removal of tropospheric warming shows approximately twice as strong an effect on Fani (39% reduction in precipitation) as that of SST warming (22% reduction). When aerosol's direct and indirect effects were removed from the simulations, i.e., no aerosol influence on radiation and cloud microphysics, Fani initially strengthened but later weakened, as measured by geopotential height and precipitation amounts. These results suggest that aerosol and its interaction with the atmosphere acted to mitigate the strengthening effect of anthropogenic warming on Fani, but was not strong enough to entirely counteract it. Although the ensemble of coarser simulations appears to overestimate Cyclone Fani in terms of precipitation, the direction of the effects is in agreement with that obtained from the 4 km simulations. Given the increasing anthropogenic aerosols in the BOB, future attribution studies using more sophisticated dynamical aerosol models on BOB tropical cyclones are urged.

54 ENVIRONMENTAL SCIENCES↗

Responses of tundra plant community carbon flux to experimental warming, dominant species removal and elevation

1. Rising temperatures can influence ecosystem processes both directly and indirectly, through effects on plant species and communities. An improved understanding of direct versus indirect effects of warming on ecosystem processes is needed for robust predictions of the impacts of climate change on terrestrial ecosystem carbon (C) dynamics. 2. To explore potential direct and indirect effects of warming on C dynamics in arctic tundra heath, we established a warming (open top chambers) and dominant plant species (Empetrum hermaphroditum Hagerup) removal experiment at a high and low elevation site. We measured the individual and interactive effects of warming, dominant species removal and elevation on plant species cover, the normalized difference vegetation index (NDVI), leaf area index (LAI), temperature, soil moisture and instantaneous net ecosystem CO 2 exchange. 3. We hypothesized that ecosystems would be stronger CO 2 sinks at the low elevation site, and that warming and species removal would weaken the CO 2 sink because warming should increase ecosystem respiration (ER) and species removal should reduce gross primary productivity (GPP). Furthermore, we hypothesized that warming and species removal would have the greatest impact on processes at the high elevation where site temperature should be most limiting and dominant species may buffer the overall community to environmental stress more compared to the low elevation site where plants are more likely to compete with the dominant species. 4. The instantaneous CO 2 flux, which reflected a weak CO 2 sink, was similar at both elevations. Neither experimental warming nor dominant species removal significantly changed GPP or instantaneous net ecosystem CO 2 exchange even though species removal significantly reduced ER, NDVI and LAI. 5. Our results show that even the loss of dominant plant species may not result in significant landscape-scale responses of net ecosystem CO 2 exchange to warming. They also show that NDVI and LAI may be limited in their ability to predict changes in GPP in these tundra heaths systems. Our study highlights the need for more detailed vegetation analyses and ground-truthed measurements in order to accurately predict direct and indirect impacts of climatic change on ecosystem C dynamics.

54 ENVIRONMENTAL SCIENCES↗

A combinatorially complete epistatic fitness landscape in an enzyme active site

Protein engineering often targets binding pockets or active sites which are enriched in epistasis—nonadditive interactions between amino acid substitutions—and where the combined effects of multiple single substitutions are difficult to predict. Few existing sequence-fitness datasets capture epistasis at large scale, especially for enzyme catalysis, limiting the development and assessment of model-guided enzyme engineering approaches. We present here a combinatorially complete, 160,000-variant fitness landscape across four residues in the active site of an enzyme. Assaying the native reaction of a thermostable β-subunit of tryptophan synthase (TrpB) in a nonnative environment yielded a landscape characterized by significant epistasis and many local optima. These effects prevent simulated directed evolution approaches from efficiently reaching the global optimum. There is nonetheless wide variability in the effectiveness of different directed evolution approaches, which together provide experimental benchmarks for computational and machine learning workflows. The most-fit TrpB variants contain a substitution that is nearly absent in natural TrpB sequences—a result that conservation-based predictions would not capture. Thus, although fitness prediction using evolutionary data can enrich in more-active variants, these approaches struggle to identify and differentiate among the most-active variants, even for this near-native function. Overall, this work presents a large-scale testing ground for model-guided enzyme engineering and suggests that efficient navigation of epistatic fitness landscapes can be improved by advances in both machine learning and physical modeling.

biocatalysis↗

On the oceanic origin for the enhanced seasonal cycle of SST in the midlatitudes under global warming

Climate models project an enhancement in SST seasonal cycle over the midlatitude oceans under global warming. However, the maintaining mechanism for this enhancement is still under debate. This study investigates the SST seasonal cycle enhancement under quadrupling CO2 using a set of partially coupled experiments, in which the contribution from direct CO2 forcing (without the effect of wind changes) and wind effects can be isolated. Results indicate that both the direct CO2 and total wind effects contribute to the enhancement in the SST seasonal cycle, with the former (latter) effect being more important in the Northern Hemisphere (Southern Hemisphere). Further decomposition of the wind effect into the wind stress feedback and wind-evaporation-SST (WES) feedback through the change of wind speed reveals the importance of the wind stress-driven ocean response in the change of SST seasonal cycle, a result in contrast to a previous study that ascribed the midlatitude SST seasonal cycle change to the thermodynamic WES feedback. The direct CO2 effect regulates SST seasonal cycle mainly through the mediating effects of the ocean mixed layer depth (MLD): i) the CO2 induced warming leads to MLD shoaling, thus reducing its effective heat capacity; ii) the climatological MLD is greater in winter than summer, given the same amount of energy flux from the surface, SST warming in winter should be smaller. Notably, the surface wind seasonal cycle change due solely to the direct CO2 effect is found to bear a great resemblance to the full wind response, implicating that the direct CO2 effect is the root source for the enhancement of the midlatitude SST seasonal cycle. This is further supported by an ocean-alone experiment that replicates the SST seasonal cycle enhancement under a spatially and temporally homogeneous surface thermal forcing into the ocean.

Liu, Fukai↗

Cetyltrimethylammonium Bromide/Chloride on Gold Nanocrystals Can Be Directly Replaced with Tri-Citrate

This work demonstrates an effective method for directly exchanging the toxic cetyltrimethylammonium bromide/chloride (CTAB/C) on Au nanocrystals with tri-citrate. Our experimental and computational studies indicate that counterion plays a vital role in the exchange process. Specifically, when citrate species bind to Au surface, they all evolve into tri-citrate with different counterions. In the case of three H + counterions, tri-citrate could readily replace the CTAB/C due to a strong binding of the carboxylate group with the Au surface. The substitution of H + counterion by Na + or K + weakens the binding strength and thus compromises the exchange. Additionally, our quantitative measurements and theoretical calculations indicate that Au nanospheres encased by high-index facets are advantageous over their counterparts enclosed by {111} and/or {100} facets for the exchange owing to the difference in binding strength. The mechanistic insights and experimental control should be extendable to other combinations of surface ligands and metal nanocrystals.

adsorption↗

Effects of lead and lean in multi-axis directed energy deposition

Here, the present study examines the effect of varying laser incidence angles on textural, microstructural, and geometric characteristics of directed energy deposition (DED) processed materials, providing a more comprehensive outlook on participating laser-matter interaction phenomena and ultimately devising strategies to ameliorate print performance. In this study, single-layer, single-/multi-track specimens were processed to examine the effect of non-orthogonal angular configurations on bead morphology, microstructure, phase composition, and textural representation of DED-processed 316L stainless steel materials. It was observed that bead size decreased at increasing lead and lean angles. Asymmetry in the distribution of the bead morphology as a function of lead angle indicates better catchment for acute lead angle configurations over obtuse configurations. No significant differences in phase composition, texture, and microstructure were observed in moderate off-axis configurations. When the penetration depth for the deposits was below 20 μm, columnar structures dominated the microstructure of the deposited material. At deeper penetration depths, columnar and equiaxed structures were observed at the bead-substrate interface and center of the bead, respectively. Compared to powder-blown DED, wire-DED dilution profiles were found to be asymmetric in both orthogonal and non-orthogonal wire DED samples.

36 MATERIALS SCIENCE↗

Dust-planetary boundary layer interactions amplified by entrainment and advections

Mineral dust contributes to more than half of the global aerosol loading. However, the radiative impacts of dust aerosols on planetary boundary layer (PBL) structure have not been explored sufficiently. During a typical dust storm event over Tarim Basin, dust aerosols exhibit a well-mixed distribution during the daytime in spite of a shallow layer of dust particles accumulated at higher altitudes. By contrast, nocturnal dust plumes are located near the surface due to stable stratification. We demonstrate that these differentiated vertical distributions determine the spatial heterogeneity of dust loading, radiative fluxes and PBL height variations. Dust aerosols cause daytime PBL suppression and nighttime PBL promotion through modulating surface and atmospheric radiative budgets. Specifically, dust-induced cooling effect within PBL directly inhibits the daytime PBL development. PBL suppression effect is then amplified by entrainment processes resulting in excessively low PBL height, especially for dust particles below but near the PBL top. Dust plumes weaken updrafts from PBL and downdrafts of the free atmosphere, which further reduce the entrainment mixing through attenuating horizontal and vertical advection, and eventually amplify PBL suppression. At night, near-surface dust aerosols stimulate a warm and unstable lower atmosphere, generate warm advection heating and promote the PBL development. Our study highlights the importance of specifying entrainment parameters and nighttime advection activities in quantifying the dust-PBL interactions.

54 ENVIRONMENTAL SCIENCES↗

Integrating environmental understanding into freshwater floatovoltaic deployment using an effects hierarchy and decision trees

Abstract In an era of looming land scarcity and environmental degradation, the development of low carbon energy systems without adverse impacts on land and land-based resources is a global challenge. ‘Floatovoltaic’ energy systems—comprising floating photovoltaic (PV) panels over water—are an appealing source of low carbon energy as they spare land for other uses and attain greater electricity outputs compared to land-based systems. However, to date little is understood of the impacts of floatovoltaics on the hosting water body. Anticipating changes to water body processes, properties and services owing to floatovoltaic deployment represents a critical knowledge gap that may result in poor societal choices and water body governance. Here, we developed a theoretically-derived hierarchical effects framework for the assessment of floatovoltaic impacts on freshwater water bodies, emphasising ecological interactions. We describe how the presence of floatovoltaic systems may dramatically alter the air-water interface, with subsequent implications for surface meteorology, air-water fluxes and physical, chemical and biological properties of the recipient water body. We apply knowledge from this framework to delineate three response typologies—‘ magnitude’ , those for which the direction and magnitude of effect can be predicted; ‘ direction’ , those for which only the direction of effect can be predicted; and ‘ uncertain’ , those for which the response cannot be predicted—characterised by the relative importance of levels in the effects hierarchy. Illustrative decision trees are developed for an example water body response within each typology, specifically, evaporative water loss, cyanobacterial biomass, and phosphorus release from bed sediments, and implications for ecosystem services, including climate regulation, are discussed. Finally, the potential to use the new understanding of likely ecosystem perturbations to direct floatovoltaic design innovations and identify future research priorities is outlined, showcasing how inter-sectoral collaboration and environmental science can inform and optimise this low carbon, land-sparing renewable energy for ecosystem gains.

Environmental Sciences & Ecology↗

Evidence for the 3D Radiative Effects of Boundary-Layer Clouds From Observations of Direct and Diffuse Surface Solar Fluxes

Numerical experiments have revealed the importance of horizontal transport of light in the presence of clouds (“3D effects”), with consequences for climate, weather, and solar resource availability predictions. Yet, analysis of 3D effects from observations remain sparse because of the difficulty to isolate the effect of horizontal transport in radiation measurements. In this study, we provide observational evidence for 3D effects based on the direct-diffuse partition of surface solar fluxes. It is compared to outputs from the ecRad radiative transfer scheme run on retrieved cloud profiles. Furthermore, the direct-beam calculation takes careful account of the field-of-view of the pyrheliometer to ensure consistency between observed and modeled direct fluxes. Only the solver that accounts for 3D effects is able to reproduce the observed mean direct-diffuse partition as a function of solar zenith angle and cloud cover, in particular at large solar zenith angles where cloud sides intercept most of the direct beam.

54 ENVIRONMENTAL SCIENCES↗

A Hybrid AI/ML and Computational Mechanics Based Approach for Time-Series State and Fatigue Life Estimation of Nuclear Reactor Components

Environmental fatigue modeling is a complex problem due to multiple failure modes and their intermixing. The failure modes are function of various underlying causes in addition to the corrosive effect of reactor coolant environment. Some of the major causes are time-dependence of material associated with cyclic loading, load sequence effect associated with random/variable amplitude loading, effect of strain amplitude and rates, effect of varying temperature (along both temporal and spatial directions) and the effect of mean strain and stress. The nonlinear intermixing of failure modes associated with above mentioned causing parameters makes the environmental fatigue modeling is a challenging task. Because of this challenge, fatigue is traditionally being modeled based on experimental data. However, test based empirical approach often requires hundreds of fatigue tests to model the above-mentioned intermixing failure causes even for a single material system. The problem is further exaggerated for reactor component made from multi-material systems such as made from both carbon and stainless-steel base metals and their similar and dissimilar metal welds. With the difficulty of conducting hundreds of fatigue tests to capture the above-mentioned intermixing failure causes, fatigue modeling approaches often depends on empirical models based on limited available test data such as available through ASME code and NUREG 6909. However, these limited test-data-based models may not be enough to accurately predict the life of reactor components. Accurate prediction of life of reactor component would become a necessity, particularly when the license of the reactors to be extended for long-term-operation (LTO) that is for well beyond its original design life of 40 years. The requirement of extending the license of reactor under LTO requires hundreds of fatigue tests to be conducted to understand the mechanism associated with the above-mentioned interdependent failure causes. However, conducting large number of fatigue tests is not a feasibility due to the cost involved. To address this issues Argonne National Laboratory (ANL) with the sponsorship of DOE Light Water Reactor Sustainability (LWRS) program trying to develop a hybrid predictive modeling approach. This is based on limited experiment-data, Artificial-intelligence (AI) – Machine-Learning (ML) - Deep-Learning (DL) based techniques and Multiphysics-computational-mechanics based modeling tools. The hybrid approach not-only can improve the accuracy of the existing stress analysis and fatigue modeling approach but also can reduce the over-dependency on test-based approach. Towards this goal following are some of the major contributions based on ANL’s FY-20 environmental fatigue modeling activities: 1) A cyclic plasticity material model database for 82/182 dissimilar metal weld, which can be readily shared with US nuclear industry and regulatory agency on request. 2) A well validated analytical modeling methodology to perform cycle-by-cycle stress prediction under both constant amplitude fatigue loading and variable amplitude fatigue loading (with load-sequence effect). 3) An AI/ML/DL based methodology to predict unmeasurable cyclic strain based on other available sensor signals. This type of approach can be used for estimating strain in real reactor components from other sensor readings. 4) An AI/ML based approach to improve the US capability on environmental fatigue testing. This is by improving ANL’s existing environmental fatigue testing capacity to conduct ASME required strain-controlled tests (by controlling strain amplitudes and its rate), while not measuring the strain (due to the difficulty of placing an extensometer in a narrow autoclave in a PWR-water-test system). 5) A simulation and experiment based probabilistic modeling methodology for time-series fatigue state and life estimation of reactor metal such as dissimilar metal weld.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗