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At least 307 records · Page 17

Huge ensembles – Part 1: Design of ensemble weather forecasts using spherical Fourier neural operators

Abstract. Simulating low-likelihood high-impact extreme weather events in a warming world is a significant and challenging task for current ensemble forecasting systems. While these systems presently use up to 100 members, larger ensembles could enrich the sampling of internal variability. They may capture the long tails associated with climate hazards better than traditional ensemble sizes. Due to computational constraints, it is infeasible to generate huge ensembles (comprised of 1000–10 000 members) with traditional, physics-based numerical models. In this two-part paper, we replace traditional numerical simulations with machine learning (ML) to generate hindcasts of huge ensembles. In Part 1, we construct an ensemble weather forecasting system based on spherical Fourier neural operators (SFNOs), and we discuss important design decisions for constructing such an ensemble. The ensemble represents model uncertainty through perturbed-parameter techniques, and it represents initial condition uncertainty through bred vectors, which sample the fastest-growing modes of the forecast. Using the European Centre for Medium-Range Weather Forecasts Integrated Forecasting System (IFS) as a baseline, we develop an evaluation pipeline composed of mean, spectral, and extreme diagnostics. With large-scale, distributed SFNOs with 1.1 billion learned parameters, we achieve calibrated probabilistic forecasts. As the trajectories of the individual members diverge, the ML ensemble mean spectra degrade with lead time, consistent with physical expectations. However, the individual ensemble members' spectra stay constant with lead time. Therefore, these members simulate realistic weather states during the rollout, and the ML ensemble passes a crucial spectral test in the literature. The IFS and ML ensembles have similar extreme forecast indices, and we show that the ML extreme weather forecasts are reliable and discriminating. These diagnostics ensure that the ensemble can reliably simulate the time evolution of the atmosphere, including low-likelihood high-impact extremes. In Part 2, we generate a huge ensemble initialized each day in summer 2023, and we characterize the simulations of extremes.

Mahesh, Ankur↗

A Measurement of the Pion-Energy Dependence of Muon Neutrino Charged-Current Scattering to Final States With One Charged Pion in NOvA

The study of neutrino oscillations is a main priority for particle physics as the most immediately tractable lever on physics beyond the Standard Model. In particular, more insight into violation of the combined symmetry of charge-conjugation plus parity could yield clues to the origin of matter-antimatter asymmetry, and in some theoretical frameworks the neutrino mass could give insights into dark matter. NOvA is a long-baseline accelerator neutrino experiment with both a near and far detector that seeks to measure several of the parameters of the neutrino mixing matrix, as well as carry out a broad program of additional physics. NOvA has innovated and developed a variety of techniques in the space of neutrino physics, including expanding the use of machine learning techniques in reconstruction. NOvA has also set the stage for the next generation US-based long baseline experiment, DUNE. This dissertation details the creation of a new neutrino interaction vertex reconstruction package for NOvA, which offers enormous improvements in accuracy above the previous vertexer it replaces. This is accomplished using a Convolutional Visual Network trained on large datasets of simulated events. The vertexer is validated thoroughly against data. This dissertation also presents a cross-section measurement for $\nu_\mu + N \rightarrow \mu^- + 1\pi^\pm + X$ (where X does not include additional charged pions) binned in pion kinetic energy, a challenging measurement in general and for NOvA in particular. Measurements like this provide crucial inputs for neutrino interaction models utilized by neutrino oscillation experiments. This measurement in particular is important to the energy ranges relevant for DUNE in a band not well-covered by any other experiment.

Ewart, Erin [Indiana U., Bloomington (main)]↗

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗

The Challenges of Modeling Distributed Energy Resources (DERs) as Blackstart Resources and for Volt-VAR Optimality

Modeling, testing and instituting Distributed Energy Resources (DERs) as Blackstart Resoucrces presents several challenges due to the fundamental differences between traditional black start resources (e.g., large generators) versus DERs like solar PV systems with battery storage. This paper addresses some of these key challenges. These include intermittency of coordinating DERs to provide continuous power during a black start event, especially during extended periods of cloud cover or when battery energy storage is depleted. This paper additionally addresses the collapsing voltage and stability control challenges specific to maintaining bulk power system stability during black start synchronization These physical and engineering limitations require careful engineering design, modeling and engineering to ensure that DERs can support critical loads and substations during black start events. A variety of additional challenges also exist. Additionally, there are challenges associated with feeder location and low voltage secondary system impacts on DER functions and settings. We compare typical functions and settings for DERs for power factor control and correction. We also demonstrate how voltag control via Volta-VAR power factor correction can be done

Mukherjee, Srijib↗

Projected network performance for multiple isotopes using next-generation xenon monitoring systems

Since about 2000 (Bowyer et al., 1998), radioxenon monitoring systems have been under development and testing for the verification of the Comprehensive Nuclear Test-Ban Treaty (CTBT). Operation of the systems since then has resulted in development of a next-generation of systems that are nearly ready for operational deployment. By 2010, the need to screen out civilian sources was well known (Auer et al., 2010; Saey, 2009), and isotopic ratio approaches were soon considered (Kalinowski et al., 2014) to identify specific sources. New generation systems are expected to improve the ability to verify the absence of nuclear tests by using isotopic ratios when multiple isotopes are detected. In this work, thousands of releases were simulated to compute the global detection probability of 131m Xe, 133m Xe, 133 Xe, and 135 Xe at 39 noble gas systems in the International Monitoring System (IMS) for both current and next-generation systems. Three release scenarios are defined at 1 h, 1 d, and 10 d past a 1 kt TNT equivalent 235U explosion event. Multiple cases using from one part in a million to the complete release of the xenon isotopic activity are evaluated for each scenario. Coverage maps and global integrals comparing current and next-generation monitoring systems are presented showing that next-generation noble gas systems will create measurable improvements in the IMS. The global detection probability for 133 Xe is shown to be strong in all scenarios, but only modestly improved by next-generation equipment. However, the detection probability for 131m Xe and 133m Xe increased to about 50% in different scenarios, providing a second detectable isotope for many events. As anticipated from shorter sampling intervals, the expected number of detecting samples roughly doubled and the expected number of detecting stations rose by approximately 50% for all release scenarios. Thus, it might be anticipated that future events would consist of multiple 133 Xe detections and one or more second isotope detections. In conclusion, signals of this nature should increase detection confidence, tighten release location estimates, improve rejection of civilian signals, and lessen the impacts from individual systems being offline for maintenance or repair reasons.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Introducing the Journal of Chemical Education’s Special Issue on Chemical Security

Chemical security can be described as the practice of protecting chemicals from people. This editorial introduces the Special Issue on Chemical Security. In this article, we present a concise history of the use of chemicals as weapons and briefly describe consolidated global approaches needed to decrease the security risks from chemicals. We briefly introduce the contributions to this Special Issue from scientists and educators around the world on the topic of chemical security. Given recent high-profile global events that involved chemicals as weapons, improving chemical security awareness and competency is a critical need. We hope this Special Issue continues to generate conversation and collaboration on this important topic and enables educators to teach chemical security principles in their classrooms and laboratories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling the aqueous interface of amorphous TiO 2 using deep potential molecular dynamics

Amorphous titanium dioxide (a-TiO 2 ) is widely used as a coating material in applications such as electrochemistry and self-cleaning surfaces where its interface with water has a central role. However, little is known about the structures of the a-TiO 2 surface and aqueous interface, particularly at the microscopic level. In this work, we construct a model of the a-TiO 2 surface via a cut-melt-and-quench procedure based on molecular dynamics simulations with deep neural network potentials (DPs) trained on density functional theory data. After interfacing the a-TiO 2 surface with water, we investigate the structure and dynamics of the resulting system using a combination of DP-based molecular dynamics (DPMD) and ab initio molecular dynamics (AIMD) simulations. Both AIMD and DPMD simulations reveal that the distribution of water on the a-TiO 2 surface lacks distinct layers normally found at the aqueous interface of crystalline TiO 2 , leading to an ~10 times faster diffusion of water at the interface. Bridging hydroxyls (Ti 2 –O b H) resulting from water dissociation decay several times more slowly than terminal hydroxyls (Ti–O w H) due to fast Ti–O w H 2 → Ti–O w H proton exchange events. These results provide a basis for a detailed understanding of the properties of a-TiO 2 in electrochemical environments. Moreover, the procedure of generating the a-TiO 2 -interface employed here is generally applicable to studying the aqueous interfaces of amorphous metal oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

JANA2 Framework for Event Based and Triggerless Data Processing

Development of the second generation JANA2 multi-threaded event processing framework is ongoing through an LDRD initiative grant at Jefferson Lab. The framework is designed to take full advantage of all cores on modern many-core compute nodes. JANA2 efficiently handles both traditional hardware triggered event data and streaming data in online triggerless environments. Development is being done in conjunction with the Electron Ion Collider development. Anticipated to be the next large scale Nuclear Physics facility constructed. The core framework is written in modern C++ but includes an integrated Python interface. The status of development and summary of the more interesting features are presented.

Lawrence, David↗

Emergence of pseudoresonance in high-intensity resonant inelastic x-ray scattering

We report resonant inelastic x-ray scattering (RIXS) spectra of neon atoms interacting with intense x-ray pulses generated using an x-ray free-electron laser (XFEL). We find that an unexpected peak emerges near the 𝐾⁢𝛼 line of Ne, which does not coincide with any physical resonances of neon ions. We perform theoretical calculations based on a quantum-state-resolved rate-equation approach with x-ray-induced processes including possible resonant excitations. Our dynamics simulations demonstrate that a sequence of multiple resonant photoabsorption events are involved and the interplay of those multiple resonances in combination with the relatively large spectral bandwidth of XFEL radiation leads to the emergent resonance-like structure at a position where no resonances exist. Our finding offers critical guidance for future applications of high-intensity RIXS at XFEL facilities.

74 ATOMIC AND MOLECULAR PHYSICS↗

Benchmark eA generator for leptoproduction in high-energy lepton-nucleus collisions

The upcoming electron-ion collider (EIC) will address several outstanding puzzles in modern nuclear physics. Topics such as the partonic structure of nucleons and nuclei, the origin of their mass and spin, among others, can be understood via the study of high-energy electron-proton (ep) and electron-nucleus (eA) collisions. Achieving the scientific goals of the EIC will require a novel electron-hadron collider and detectors capable to perform high-precision measurements but also dedicated tools to model and interpret the data. To aid in the latter, we present a general-purpose e A Monte Carlo generator—BeAGLE. In this paper, we provide a general description of the models integrated into BeAGLE, applications of BeAGLE in eA physics, implications for detector requirements at the EIC, and the tuning of the parameters in BeAGLE based on available experimental data. Specifically, we focus on a selection of model and data comparisons in particle production in both ep and eA collisions, where baseline particle distributions provide essential information to characterize the event. In addition, we investigate the collision geometry determination in eA collisions, which could be used as an experimental tool for varying the nuclear density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

First Double-Differential Cross Section Measurement of Neutral-Current 𝜋 0 Production in Neutrino-Argon Scattering in the MicroBooNE Detector

We report the first double-differential cross section measurement of neutral-current neutral pion (NC⁢𝜋 0 ) production in neutrino-argon scattering, as well as single-differential measurements of the same channel in terms of final states with and without protons. The kinematic variables of interest for these measurements are the 𝜋 0 momentum and the 𝜋 0 scattering angle with respect to the neutrino beam. A total of 4971 candidate NC⁢𝜋 0 events fully contained within the MicroBooNE detector are selected using data collected at a mean neutrino energy of ∼0.8 GeV from 6.4 ×10 20 protons on target from the Booster Neutrino Beam at the Fermi National Accelerator Laboratory. After extensive data-driven model validation to ensure unbiased unfolding, the Wiener-singular-value-decomposition method is used to extract nominal flux-averaged cross sections. The results are compared to predictions from commonly used neutrino event generators, which tend to overpredict the measured NC⁢𝜋 0 cross section, especially in the 0.2–0.5 GeV/c 𝜋 0 momentum range and at forward scattering angles. Events with at least one proton present in the final state are also underestimated. This data will help improve the modeling of NC⁢𝜋 0 production, which represents a major background in measurements of charge-parity violation in the neutrino sector and in searches for new physics beyond the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Vertical forces during VDEs in an ITER plasma and the role of halo currents

Vertical displacement events (VDEs) can occur in elongated tokamaks causing large currents to flow in the vessel and other adjacent metallic structures. To better understand the potential magnitude of the associated forces and the role of the so called halo currents'' on them, we have used the M3D-C1 code to simulate potential VDEs in ITER. We used actual values for the vessel resistivity and pre-quench temperatures and, unlike most of the previous studies, the halo region is naturally formed by triggering the thermal quench with an increase in the plasma thermal conductivity. We used the 2D non-linear version of the code and vary the post-thermal quench thermal conductivity profile as well as the boundary temperature in order to generate a wide range of possible cases that could occur in the experiment. We also show that, for a similar condition, increasing the halo current does not increase the total force on the wall since it is offset by a decrease in the toroidal contribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Search for $t$-channel scalar and vector leptoquark exchange in the high-mass dimuon and dielectron spectra in proton-proton collisions at $\sqrt{s}=13$ TeV

A search for t-channel exchange of leptoquarks (LQs) is performed in dimuon and dielectron spectra using proton-proton collision data collected at $\sqrt{s}=13$ TeV with the CMS detector at the CERN LHC. The data correspond to an integrated luminosity of 138 fb −1 . Eight scenarios are considered, in which up or down quarks couple to muons or electrons via a scalar or vector LQ exchange, for dilepton invariant masses above 500 GeV. The LQ masses are probed up to 5 TeV, beyond a regime probed by previous pair-production and single-production searches. The differential distributions of dilepton events are fit to templates that model the nonresonant LQ exchange and various standard model background processes. Limits are set on LQ-fermion coupling strengths for scalar and vector LQ masses in the 1–5 TeV range at 95% confidence level, establishing stringent limits on first- and second-generation LQs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Interface Modes in Inspiralling Neutron Stars: A Gravitational-Wave Probe of First-Order Phase Transitions

At the extreme densities in neutron stars, a phase transition to deconfined quark matter is anticipated. Yet masses, radii, and tidal deformabilities offer only indirect measures of a first-order phase transition, requiring many detections to resolve or being ineffective observables if the discontinuity exists at lower densities. Here, we report on a smoking-gun gravitational-wave signature of a first-order transition: the resonant tidal excitation of an interface mode. Using relativistic perturbation theory with an equation-of-state family informed by chiral effective field theory, we show that such a resonance may be detectable with next-generation interferometers and possibly already with LIGO A+ for sufficiently loud events.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

OASIS: Optimal Analysis-Specific Importance Sampling for event generation

We propose a technique called Optimal Analysis-Specific Importance Sampling (OASIS) to reduce the number of simulated events required for a high-energy experimental analysis to reach a target sensitivity. We provide recipes to obtain the optimal sampling distributions which preferentially focus the event generation on the regions of phase space with high utility to the experimental analyses. OASIS leads to a conservation of resources at all stages of the Monte Carlo pipeline, including full-detector simulation, and is complementary to approaches which seek to speed-up the simulation pipeline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling particulate generation during high energy explosive events

Laser produced plasmas are used to simulate high energy events and are useful for a variety of applications e.g. in industrial sectors, such as semi-conductor manufacturing, as well as medical, environmental, and energy sectors. Particulate generation in laser produced plasmas is related to key features of the plasma: temperature and pressure evolution during plume expansion, plasma chemistry etc. Several uncertainties persist in relating initial high energy events (~microseconds) to particulate formation that happens as the plasma cools and evolves (~milliseconds).

42 ENGINEERING↗

Localized Interactions in Neutrino Simulations

The Deep Underground Neutrino Experiment (DUNE) requires precise modeling of neutrino--nucleus interactions to achieve its neutrino-oscillation measurement goals. GENIE, the Monte Carlo event generator used by DUNE, exhibits a known discrepancy with MicroBooNE measurements of transverse kinematic imbalance (TKI): the data display a larger high-TKI tail while maintaining a peak similar to that predicted by the baseline GENIE model. Previous variations of final-state interaction (FSI) strength affected both the peak and the tail and therefore did not resolve the discrepancy. This work investigates whether inconsistencies between local and global treatments of intranuclear physics contribute to the observed mismodeling. The GENIE FSI routines were modified to use the particle position when generating nucleons, thereby introducing a local-density treatment in the hA and hN intranuclear models for their 2018 and 2025 implementations. Meson-exchange-current (MEC) localization was also tested for the hN 2018 model. Comparisons of the intranuclear scattering-center momentum and its radial dependence confirm that the localization was implemented as intended. Localization produces modest changes in the proton momentum spectrum, primarily at low momentum, but only a small change in the TKI distribution between approximately \SI{0.25}{\giga\electronvolt} and \SI{0.40}{\giga\electronvolt}. These changes are insufficient to account for the discrepancy with MicroBooNE data. Although a localized treatment improves the internal consistency of the GENIE model, the origin of the TKI discrepancy remains unresolved.

Bulla, Braden [Unlisted, US, IL]↗

Measurement of event shapes in minimum-bias events from proton-proton collisions at $\sqrt{s}$ = 13

A measurement of event-shape variables is presented, using a data sample produced in a special run with approximately one inelastic proton-proton collision per bunch crossing. The data were collected with the CMS detector at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 64 μ⁢b −1 . A number of observables related to the overall distribution of charged particles in the collisions are corrected for detector effects and compared with simulations. Inclusive event-shape distributions, as well as differential distributions of event shapes as functions of charged-particle multiplicity, are studied. None of the models investigated are able to satisfactorily describe the data. Moreover, there are significant features common amongst all generator setups studied, particularly showing data being more isotropic than any of the simulations. Multidimensional unfolded distributions are provided, along with their correlations.

Chekhovsky, V. [Yerevan Physics Institute]↗