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Higher order and penumbral blurring correction methodology for Opacity spectrometer used on the NIF

63rd Annual Meeting of the APS Division of Plasma Physics November 8-12, 2021 • Pittsburgh, Pennsylvania Virtual presentation must be uploaded by Nov 3rd 2pm PST Session Date / Time: 11/11/2021, 2:00 pm - 5:00 pm Title: HED: Laboratory Astrophysics Type: Oral Contributed Presentation: Higher order and penumbral blurring correction methodology for Opacity spectrometer used on the NIF.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Physics Flash Winter 2022

This issue of Physics Flash features the recent success of our newest APS Fellow, Takeyasu Ito, and some of the new LDRD projects that are beginning this year. These projects will aid in setting the division’s future direction and I look forward to learning more as these projects progress. At the same time, new and exciting projects are being proposed for start in fiscal year 2023. The innovations that are captured in these proposals are important and will power the future of Physics Division.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Storage-Induced Collapse of Lignin Macromolecular Structure and Its Impacts on the Biorefinery

Lignin plays a vital role in the economics of biorefineries, serving as a source of process energy and a feedstock for sustainable fuels and chemical production. While understanding lignin’s chemical composition is crucial, emerging evidence suggests that a more comprehensive understanding of its macromolecular structure is critical to explaining its complex behavior in the biorefinery. This study investigated the partial collapse of the lignin network in corn stover feedstock after harvest and storage as a result of the microbial digestion of hemicellulose. Fluorescence microscopy was used to detect the collapse of lignin in terms of lignin’s inter-molecular interaction and the re-orientation of lignin’s chromophores, by the changes in lignin’s fluorescence lifetime, anisotropy, and the number of effective emitters. With minimal sample perturbation, our in-situ microscopic results revealed lignin's coil-globule transition phenomena, which was only previously predicted by molecular dynamics modeling extracted lignin in solvent. This collapse of lignin macromolecular structure was confirmed by results from NMR, IR, Raman, and powder X-ray diffraction. We also investigated the impact of this storage-induced collapse on the downstream biorefinery processes. Our study revealed that the two major approaches for lignin valorization in the lignin-first biorefinery model, namely monomer extraction and milled wood lignin extraction, were negatively impacted by the lignin collapse. As changes during storage are a source of feedstock variability, our study highlights the importance of understanding the effect of feedstock handling on biorefinery operations and economics.

09 BIOMASS FUELS↗

Atomically Dispersed Ni‐N‐C Catalysts for Electrochemical CO 2 Reduction

Abstract The atomic dispersion of nickel in Ni‐N‐C catalysts is key for the selective generation of carbon monoxide through the electrochemical carbon dioxide reduction reaction (CO 2 RR). Herein, the study reports a highly selective, atomically dispersed Ni 1.0% ‐N‐C catalyst with reduced Ni loading compared to previous reports. Extensive materials characterization fails to detect Ni crystalline phases, reveals the highest concentration of atomically dispersed Ni metal, and confirms the presence of the proposed Ni‐N x active site at this reduced loading. The catalyst shows excellent activity and selectivity toward CO generation, with a faradaic efficiency for CO generation (FE CO ) of 97% and partial current density for CO (j co ) of ‐9.0 mA cm −2 at ‐0.9 V in an electrochemical H‐type cell. CO 2 RR activity and selectivity are also studied by rotating disk electrode (RDE) measurements where transport limitations can be suppressed. It is expected that the utility of these Ni‐N‐C catalysts will lie with tandem CO 2 RR reaction schemes to multi‐carbon (C 2+ ) products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Localized exciton emission from monolayer WS 2 nanoribbon at cryogenic temperature

Abstract We conducted low-temperature photoluminescence (PL) spectroscopy experiments on individual WS 2 and MoSe 2 nanoribbons prepared by gold-assisted exfoliation from the slanted surface of bulk crystals with a vicinal and stepwise pattern. The nanoribbons are predominantly monolayer and have widths varying from hundreds of nanometers down to tens of nanometers. Most MoSe 2 NRs display an emission profile similar to 2D excitons of MoSe 2 monolayers. In contrast, WS 2 nanoribbons are characterized with sharp emission peaks that can be attributed to the emission from localized excitons or trions. Moreover a broad low energy emission peak can be also observed from some of the WS 2 nanoribbons, which originates from bilayer regions. In this manuscript, we analyze spectral diffusion behavior along with pump power and temperature dependence of the localized exciton emission peaks, shedding light on potential of TMDC nanoribbons in sensing and opto-electronic applications.

36 MATERIALS SCIENCE↗

PSTN-019: The LSST Science Pipelines Software: Optical Survey Pipeline Reduction and Analysis Environment

The NSF-DOE Vera C. Rubin Observatory is executing the Legacy Survey of Space and Time (LSST) as its prime mission, producing a series of data releases over the ten-year survey. The LSST Science Pipelines Software will be used to create these data releases and to perform the nightly prompt processing and alert production. This paper provides an overview of the LSST Science Pipelines Software, describing the components and their integration into pipelines that generate science-ready data products.

79 ASTRONOMY AND ASTROPHYSICS↗

Remote Influence of Andean Convection on Amazonian Rainfall and Its Mechanisms

Models from Coupled Model Intercomparison Project Phase 6 produce too much precipitation over the Andes but too little over the Amazon or the Wet Andes-Dry Amazon (WADA) bias pattern. Unlike the conventional view that convection parameterization and land model deficiencies can contribute to Amazonian rainfall biases, we approach this long-standing biased model behavior through the lens of Andean convection. Using Community Earth System Model v1.1 and focusing on the wet season, our mechanism-denial experiments demonstrate that Andean convection notably reduces precipitation over the Amazon during austral summer. The Andean forced Amazonian response operates on weather timescale. Furthermore, the reduction of Amazonian rainfall is detectable within a few hours after initial Andean forcing. The precipitation response is primarily driven by variations in the moisture budget and is moderated by changes in convective available potential energy over the Amazon. Changes in the total advection of moisture over the Amazon are dominated by the vertical advection term and can be attributed to discrepancies in the dynamic omega field. In the experiments, the Andean east flank region is scrutinized where the vertical velocity and moisture fields play an intermediary role for the Andean driven WADA connection. The Andean forcing induces descending anomalies on the Andean east flank. The disturbances of wind and geopotential fields over the Andean east flank propagate eastward via Kelvin waves. Over the Amazon, descending anomalies and advective drying lead to reduction of mid-to-high level cloud, increase of shortwave cloud forcing and surface net radiation, and enhancement of themodynamic stability and rainfall reduction.

58 GEOSCIENCES↗

The Future of High Energy Physics Software and Computing (V2.1)

Software and Computing (S&C) are essential to all High Energy Physics (HEP) experiments and many theoretical studies. The size and complexity of S&C are now commensurate with that of experimental instruments, playing a critical role in experimental design, data acquisition/instrumental control, reconstruction, and analysis. Furthermore, S&C often plays a leading role in driving the precision of theoretical calculations and simulations. Within this central role in HEP, S&C has been immensely successful over the last decade. This report looks forward to the next decade and beyond, in the context of the 2021 Particle Physics Community Planning Exercise ("Snowmass") organized by the Division of Particles and Fields (DPF) of the American Physical Society.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data for The Value of Reversible Carbon Storage in a Zero-Emissions World

Atmospheric carbon dioxide removal (CDR) is required to stabilize global temperature. CDR can be achieved via ecosystem-based approaches that are cost-effective but reversible (e.g., soil and forest management) or by more durable but expensive approaches (e.g., direct air capture coupled with geologic storage). Here, we examine trade-offs between these approaches, focusing on timing, climate impacts, and cost. We simulated reversible carbon accrual for a range of CDR contract structures using a general minimalist model of ecosystem carbon cycling, and parameterized it to simulate US agricultural soil management─specifically cover cropping─as a case study. We then quantified the resulting impact on atmospheric carbon and global temperature using a climate model emulator. We find that maintaining a patchwork of reversible CDR projects by replacing lapsed projects with new projects can reduce warming by 22–195 μ°C in 2100 and that the magnitude of this cooling effect depends on how effectively the patchwork is maintained. Long-term maintenance of reversible CDR projects requires institutional stability that cannot be guaranteed over multiple decades. Consequently, effective CDR ultimately requires replacing reversible projects with durable projects. To address this problem, we modeled the cost of replacing reversible agricultural soil CDR with geologic CDR. We found that using reversible CDR as a bridge to durable CDR is potentially more cost-effective as a global cooling strategy (0.20–0.81 billion USD per μ°C avoided) than perpetual maintenance of reversible CDR (0.32–1.31 billion USD per μ°C avoided) or an immediate transition to durable CDR (1.37–2.19 billion USD per μ°C avoided). However, we emphasize that institutional commitments to maintain reversible CDR projects cannot be guaranteed. Reliance on reversible CDR as a bridge to durable CDR therefore carries an unknown amount of risk and will only function if efforts to maintain reversible CDR are robust.

Carbon↗

Report of the 2021 U.S. Community Study on the Future of Particle Physics (Snowmass 2021) Summary Chapter

The 2021-22 High-Energy Physics Community Planning Exercise (a.k.a. ``Snowmass 2021'') was organized by the Division of Particles and Fields of the American Physical Society. Snowmass 2021 was a scientific study that provided an opportunity for the entire U.S. particle physics community, along with its international partners, to identify the most important scientific questions in High Energy Physics for the following decade, with an eye to the decade after that, and the experiments, facilities, infrastructure, and R&D needed to pursue them. This Snowmass summary report synthesizes the lessons learned and the main conclusions of the Community Planning Exercise as a whole and presents a community-informed synopsis of U.S. particle physics at the beginning of 2023. This document, along with the Snowmass reports from the various subfields, will provide input to the 2023 Particle Physics Project Prioritization Panel (P5) subpanel of the U.S. High-Energy Physics Advisory Panel (HEPAP), and will help to guide and inform the activity of the U.S. particle physics community during the next decade and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Comparative Study of Solvatomorphs of Stryker's Reagent Using MicroED and Quantum Mechanics

Abstract The atomic position of hydrogen atoms in metal hydrides has been a long‐standing structural question in inorganic chemistry given that hydride delivery is integral to diverse chemical reactions. Microcrystal electron diffraction (microED), with it's increased sensitivity toward hydrogen atoms relative to X‐ray diffraction, offers a potential path to addressing this challenge. Herein, the first microED study of Stryker's reagent is reported, resulting in the structure of a new benzene solvate. Improved accuracy for hydrogen atom positions was obtained via a quantum crystallography (QCr) approach, Hirshfeld atom refinement (HAR). Structural and topological analysis supports edge bridging hydrides in the microED structure of a THF solvate form, consistent with previous diffraction studies. Interestingly, analysis of a new benzene solvate, discovered in this study, is consistent with mixed edge‐ and face‐bridging hydrides.

Jha, Kunal K. [Division of Chemistry &amp, Chemica↗

Cluster for Research Excellence (CRE) for Accelerator Physics

The purpose of this Cooperative Research and Development Agreement (CRADA) was to establish a Cluster of Research Excellence (CRE) for Accelerator Physics and broaden the accelerator physics collaboration between Northern Illinois University (NIU) and Fermilab. The CRE was based in both Fermilab’s Accelerator Division and in NIU’s Department of Physics. A research agenda and strategy for the CRE for Accelerator Physics included specific research topics, experiments, and research facility upgrades. The scope of the research program covered two thrusts with subtopics in the Accelerator Science Research Program utilizing the infrastructure of FAST, IOTA, the Fermilab Accelerator Complex, and the Illinois Accelerator Research Center (IARC). Specific areas of proposed exploration included: 1.Tests of novel “nonlinear integrable” systems including beam self-fields; 2.Experimental tests of phase-space diffusion and chaos in intense beams; 3.Investigate technically feasible approaches towards next generation intenseneutrino facilities; 4.Understanding optical control of charged particle beams; 5.Exploitation of bright electron beams from FAST for novel applications; 6. Conduct research into accelerator-based ‘precision science’, such as Muon g-2, EDM, Mu2e, etc.

43 PARTICLE ACCELERATORS↗

Separating Physics and Dynamics Grids for Improved Computational Efficiency in Spectral Element Earth System Models

Previous studies have shown that atmospheric models with a spectral element grid can benefit from putting physics calculations on a relatively coarse finite volume grid. Here we demonstrate an alternative high-order, element-based mapping approach used to implement a quasi-equal-area, finite volume physics grid in E3SM. Unlike similar methods, the new method in E3SM requires topology data purely local to each spectral element, which trivially allows for regional mesh refinement. Simulations with physics grids defined by 2 × 2, 3 × 3, and 4 × 4 divisions of each element are shown to verify that the alternative physics grid does not qualitatively alter the model solution. The model performance is substantially affected by the reduction of physics columns when using the 2 × 2 grid, which can increase the throughput of physics calculations by roughly 60%–120% depending on whether the computational resources are configured to maximize throughput or efficiency. A pair of regionally refined cases are also shown to highlight the refinement capability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Measurement of isolated prompt photon production in pp and p–Pb collisions at the LHC

This paper presents the measurement of the isolated prompt photon inclusive production cross section in pp and p–Pb collisions by the ALICE Collaboration at the LHC. The measurement is performed in p–Pb collisions at centre-of-mass energies per nucleon pair of $\sqrt{s_{NN}}$ = 5.02 Te and 8.16 TeV, as well as in pp collisions at $\sqrt{s}$ = 5.02 TeV and 8 TeV. The cross section is obtained at midrapidity (|γ| < 0.7) using a charged-track based isolation momentum p$^{iso,~ch}_{T}$ < 1.5 GeV/c in a cone with radius R = 0.4. The data for both collision systems are well reproduced by perturbative QCD (pQCD) calculations at next-to-leading order (NLO) using recent parton distribution functions for free (PDF) and bound (nPDF) nucleons. Furthermore, the nuclear modification factor R pA for both collision energies is consistent with unity for p T > 20 GeV/c. However, deviations from unity (R pA < 1) of up to 20% are observed for p T < 20 GeV/c with limited significance, indicating the possible presence of nuclear effects in the initial state of the collision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

First observation of strange baryon enhancement with effective energy in pp collisions at the LHC

The production of (multi-)strange hadrons is measured at midrapidity in proton-proton collisions at $\sqrt{s}$ = 13 TeV as a function of the local charged-particle multiplicity in the pseudorapidity interval |η| < 0.5 and of the very-forward energy measured by the ALICE Zero-Degree Calorimeters. The latter provides information on the effective energy, i.e. the energy available for particle production in the collision once subtracted from the centre-of-mass energy. The yields of K$^{0}_{s}$, $Λ$ + $\overline{Λ}$, and $Ξ$ – + $\overline{Ξ}$ + per charged-particle increase with the effective energy. In addition, this work exploits a multi-differential approach to decouple the roles of local multiplicity and effective energy in such an enhancement. The results presented in this article provide new insights into the interplay between global properties of the collision, such as the initial available energy in the event, and the locally produced final hadronic state, connected to the charged-particle multiplicity at midrapidity. Notably, a strong increase of strange baryon production with effective energy is observed for fixed charged-particle multiplicity at midrapidity. These results are discussed within the context of existing phenomenological models of hadronisation implemented in different tunes of the PYTHIA 8 event generator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗