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NASA NTRSDate not supplied

An Analytic Collaborative Framework for the Earth System Observatory

NASA's Earth System Observatory groundbreaking observations will provide critical measurements to address societal relevant problems in climate change, natural hazard mitigation, fighting forest fires, and improving real-time agricultural processes. Central to the ESO vision is the notion of Open-Source Science (OSS), a collaborative culture enabled by technology that promotes the open sharing of data, information, and knowledge aiming to facilitate and accelerate scientific understanding, and the agile development of applications for the benefit of society. The larger vision of an Earth System Digital Twin (ESDT) calls for integrated Earth science frameworks that mirror the Earth by a proxy digital construct that includes km-scale resolution Earth system models and data assimilation systems along with an integrated set of analytic tools to enable the next generation of science discoveries and evidence-based decision making. The goal of this project is to develop an Analytic Collaborative Framework for ESO missions, based on realistic, science-based observing system simulations and the Program of Record (PoR). Tying it all together is a cloud-based cyberinfrastructure that will enable each uniquely designed satellite in the Earth System Observatory to work in tandem to create a 3D, holistic view of Earth. In this presentation, we lay the technological groundwork for enabling such a vision. Our approach consists of the 3 main interconnected building blocks: 1. Cloud-optimized representative datasets for ESO missions and the PoR to serve as basis for developing and prototyping an Analytic Collaborative Framework. 2. An Algorithm Workbench for enabling experimentation and exploration of synergistic algorithms not only for instruments within a mission, but also including the PoR and other ESO missions. 3. A series of concrete Open-Source Science demonstrations including use cases that span science discovery and end-user applications with direct societal impact. While our ultimate goal is to include all of the main missions comprising the Earth System Observatory, in our initial 2 years we will focus on AOS and SBG, two missions for which specific synergisms have been identified in a recent workshop. In this presentation we will describe our approach and discuss some illustrative examples of our framework.

Arlindo da SIlva↗

NASA NTRSDate not supplied

An Analytic Collaborative Framework for the Earth System Observatory

Arlindo da SIlva↗

DOE OSTI2025

Weakly supervised anomaly detection with event-level variables

We introduce a new topology for weakly supervised anomaly detection searches, diobject plus X. In this topology, one looks for a resonance decaying to two standard model particles produced in association with other anomalous event activity (X). This additional activity is used for classification. We demonstrate how anomaly detection techniques which have been developed for dijet searches focusing on jet substructure anomalies can be applied to event-level anomaly detection in this topology. To robustly capture event-level features of multiparticle kinematics, we employ new physically motivated variables derived from the geometric structure of a collision’s phase space manifold. As a proof of concept, we explore the application of this approach to several benchmark signals in the di-𝜏 and di-𝜇 plus X final states. We demonstrate that our anomaly detection approach can reach discovery-level significances for signals that would be missed in a conventional bump-hunt approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Future accelerator projects: new physics at the energy frontier

High-energy colliders provide direct access to the energy frontier, allowing to search for new physics at scales as high as the machine’s center-of-mass energy, perform precision measurements of the Standard Model (SM) parameters, including those related to the flavor sector, and determine the Higgs boson properties and their connection to electroweak symmetry breaking. Each proposed future collider option has its own specific science goals and capabilities, depending on the designed running energy (energies) amongst other parameters. In this paper, an overview of the discovery potential of future circular and linear colliders is presented. Results from searches for beyond the Standard Model (BSM) phenomena at proton–proton, proton–electron, electron–positron, and muon–antimuon colliders are summarized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Bayesian Conavigation: Dynamic Designing of the Material Digital Twins via Active Learning

Scientific advancement is universally based on the dynamic interplay between theoretical insights, modeling, and experimental discoveries. However, this feedback loop is often slow, including delayed community interactions and the gradual integration of experimental data into theoretical frameworks. This challenge is particularly exacerbated in domains dealing with high-dimensional object spaces, such as molecules and complex microstructures. Hence, the integration of theory within automated and autonomous experimental setups, or theory in the loop-automated experiment, is emerging as a crucial objective for accelerating scientific research. The critical aspect is to use not only theory but also on-the-fly theory updates during the experiment. Furthermore, we introduce a method for integrating theory into the loop through Bayesian conavigation of theoretical model space and experimentation. Our approach leverages the concurrent development of surrogate models for both simulation and experimental domains at the rates determined by latencies and costs of experiments and computation, alongside the adjustment of control parameters within theoretical models to minimize epistemic uncertainty over the experimental object spaces. This methodology facilitates the creation of digital twins of material structures, encompassing both the surrogate model of behavior that includes the correlative part and the theoretical model itself. While being demonstrated here within the context of functional responses in ferroelectric materials, our approach holds promise for broader applications, such as the exploration of optical properties in nanoclusters, microstructure-dependent properties in complex materials, and properties of molecular systems.

Microscopy↗

DOE OSTI2025

Machine-Learning Analysis of Radiative Decays to Dark Matter at the LHC

The search for weakly interacting matter particles (WIMPs) is one of the main objectives of the High Luminosity Large Hadron Collider (HL-LHC). In this work we use Machine-Learning (ML) techniques to explore WIMP radiative decays into a Dark Matter (DM) candidate in a supersymmetric framework. The minimal supersymmetric WIMP sector includes the lightest neutralino that can provide the observed DM relic density through its co-annihilation with the second lightest neutralino and lightest chargino. Moreover, the direct DM detection cross section rates fulfill current experimental bounds and provide discovery targets for the same region of model parameters in which the radiative decay of the second lightest neutralino into a photon and the lightest neutralino is enhanced. This strongly motivates the search for radiatively decaying neutralinos which, however, suffers from strong backgrounds. We investigate the LHC reach in the search for these radiatively decaying particles by means of cut-based and ML methods and estimate its discovery potential in this well-motivated, new physics scenario. We demonstrate that using ML techniques would enable access to most of the parameter space unexplored by other searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Enabling Capabilities and Resources: 2024 Principal Investigator Meeting Proceedings

As a major supporter of basic genome-enabled research, BER’s Biological Systems Science Division (BSSD) fosters scientific discovery by funding - fundamental biological research across disciplines in conjunction with enabling investigational tools and computational capabilities that include world-class user facilities. The overarching goal of BSSD is to provide the necessary fundamental science to understand, predict, manipulate, and design biological systems that underpin innovations for bioenergy and bioproduct production and enhance understanding of natural, DOE-relevant environmental processes (Biological Systems Science Division Strategic Plan, 2021). To accelerate the U.S. bioeconomy, BSSD pursues innovative science underpinning advances in sustainable biofuels and bioproducts and the development of next-generation technologies and computational resources for systems biology research. The 2024 BSSD Enabling Capabilities and Resources (ECR) Principal Investigator (PI) meeting brought together PIs across the BSSD ECR portfolio to confer on shared interests and opportunities. The meeting was held concurrently with the Genomic Science program (GSP) PI meeting to optimize collaboration on research to advance bioenergy and the bioeconomy. Rick Stevens of Argonne National Laboratory gave a keynote on How Generative Artificial Intelligence Can Impact Biological Research (see Keynote: How Generative Artificial Intelligence Can Impact Biological Research, this page). Plenary presentations included several joint sessions that illuminated the integration and understanding of the larger BSSD mission. GSP’s objective is to provide systems-level understanding of plants, microbes, and their communities through its Bioenergy Research, Biosystems Design, and Environmental Microbiome Research portfolios. The objective of the ECR portfolio is to support development of computational and instrumental platforms to advance fundamental GSP research—and BER more broadly— toward the overall goal of understanding the functional principles of living systems and their response to environmental challenges.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Probing BSM Oscillatory Signals with the DUNE Detectors and the LBNF Neutrino Beam: NSI and Sterile Neutrino Sensitivities

The Deep Underground Neutrino Experiment (DUNE) is a flagship long-baseline accelerator neutrino experiment under construction in the U.S. With a 1,300 km distance between its Near Detector (ND) and Far Detector (FD), the world’s most intense LBNF (Long-Baseline Neutrino Facility) neutrino beam, and high-resolution LArTPC (Liquid Argon Time Projection Chamber) detectors, DUNE will measure the neutrino oscillation parameters with unprecedented precision. In addition to the determination of the neutrino mass ordering and the potential discovery of Charge-Parity violation in the leptonic sector, DUNE's capabilities present a unique opportunity for probing Beyond the Standard Model (BSM) physics signals with neutrinos. Examples of BSM physics manifestations include the presence of Non-Standard Interactions (NSI) of neutrinos with matter, or the existence of sterile neutrinos that mix with 3-Flavor neutrinos. In this study, we present a joint ND+FD fit to simulated data assessing DUNE's sensitivity to probing neutrino NSI, as well as scenarios including sterile neutrino mixing.

Prais, Luiz [Cincinnati U.] (ORCID:000000018224947↗

DOE OSTI2026

Machine Learning on Heterogeneous, Edge, and Quantum Hardware for Particle Physics (ML-HEQUPP)

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for scientific discovery demands real-time inference and decision-making, intelligent data reduction, and efficient processing architectures beyond current capabilities. Crucial to the success of this experimental paradigm are several emerging technologies, such as artificial intelligence and machine learning (AI/ML) and silicon microelectronics, and the advent of quantum algorithms and processing. Their intersection includes areas of research such as low-power and low-latency devices for edge computing, heterogeneous accelerator systems, reconfigurable hardware, novel codesign and synthesis strategies, readout for cryogenic or high-radiation environments, and analog computing. This white paper presents a community-driven vision to identify and prioritize research and development opportunities in hardware-based ML systems and corresponding physics applications, contributing towards a successful transition to the new data frontier of fundamental science.

Gonski, Julia [SLAC]↗

DOE OSTI2022

Design and test of a special magnet for the Mu2e experiment

The Mu2e experiment (Muon-to-Electron Conversion Experiment) is looking for evidence that a muon can change into an electron without the emission of neutrinos. The experiment will search for the charged-lepton flavor violating (CLFV) neutrino-less conversion of a negative muon into an electron in the field of a nucleus. The conversion process results in a monochromatic electron with an energy of 104.97 MeV, slightly below the muon rest mass. The goal of the experiment is to improve the previous upper limit by four orders of magnitude and reach a SES (single event sensitivity) of 3 × 10 -17 on the conversion rate, a 90% CL of 8 × 10 -17 , and a 5σ discovery reach at 2 × 10 -16 . The experiment will use an intense pulsed negative muon beam, which is essential to reducing backgrounds. The other essential element is a sophisticated magnetic system composed of three consecutive solenoids (figure 1) that form the muon beam.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking programs. Both cloud and high-performance computing (HPC) resources have been used for large screens with molecular docking programs; while NVIDIA GPUs have dominated cloud and HPC resources, new vendors such as AMD and Intel are now entering the field, creating the problem of software portability across different GPUs. Ideally, software productivity could be maximized with portable programming models that are able to maintain high performance across architectures. While in many cases compiler directives have been used as an easy way to offload parallel regions of a CPU-based program to a GPU accelerator, they may also be an attractive programming model for providing portability across different GPU vendors, in which case the porting process may proceed in the reverse direction: from low-level, architecture-specific code to higher-level directive-based abstractions. MiniMDock is a new mini-application (miniapp) designed to capture the essential computational kernels found in molecular docking calculations, such as are used in phar-maceutical drug discovery efforts, in order to test different solutions for porting across GPU architectures. Here we extend MiniMDock to GPU offloading with OpenMP directives, and compare to performance of kernels using CUDA and HIP on NVIDIA and AMD GPUs, respectively, as well as across different compilers, exploring performance bottlenecks. We document this reverse-porting process, from highly optimized device code to a higher-level version using directives, compare code structure, and describe barriers that were overcome in this effort.

Thavappiragasam, Mathialakan↗

DOE OSTI2024

Dr. Sahar Said Allam (1964-2022): A Memoriam

In this short talk, we memorialize the scientific life of AAS member Dr. Sahar Said Allam (1964-2022), an alumna of Cairo University and the National Research Institute of Astronomy \& Geophysics (NRIAG). Her scientific career took her to the Universitaet Potsdam (Germany), New Mexico State University (USA), the Space Telescope Science Institute (USA), and the Fermi National Accelerator Laboratory (Fermilab; USA), as well as to astronomical observatories in New Mexico, Arizona, Hawaii, Chile, and Australia. Among other projects, she worked on the Sloan Digital Sky Survey (SDSS) and the Dark Energy Survey (DES), achieving the coveted “Builders” status on both these projects. She was the discoverer of the (at the time) brightest known Lyman Break Galaxy, the strongly lensed “8 O’Clock Arc”, and played an important role in the discovery of the optical counterpart to the gravitational wave event GW170817. During her final illness, she began work as a Data Preview 0 (“DP0”) De legate for the Vera C. Rubin Legacy Survey of Space & Time (LSST) and was even the Principal Investigator on a successful observing proposal submitted posthumously. The asteroid “135979 Allam” is named after her.

Tucker, Douglas L.↗

DOE OSTI2024

Diagnostics of Magnetohydrodynamic Modes in the Interstellar Medium through Synchrotron Polarization Statistics

One of the biggest challenges in understanding magnetohydrodynamic (MHD) turbulence is identifying the plasma mode components from observational data. Previous studies on synchrotron polarization from the interstellar medium (ISM) suggest that the dominant MHD modes can be identified via statistics of Stokes parameters, which would be crucial for studying various ISM processes such as the scattering and acceleration of cosmic rays, star formation, and dynamo. In this paper, we present a numerical study of the synchrotron polarization analysis (SPA) method through systematic investigation of the statistical properties of the Stokes parameters. We derive the theoretical basis for our method from the fundamental statistics of MHD turbulence, recognizing that the projection of the MHD modes allows us to identify the modes dominating the energy fraction from synchrotron observations. Based on the discovery, we revise the SPA method using synthetic synchrotron polarization observations obtained from 3D ideal MHD simulations with a wide range of plasma parameters and driving mechanisms, and present a modified recipe for mode identification. We propose a classification criterion based on a new SPA+ fitting procedure, which allows us to distinguish between Alfvén mode and compressible/slow mode dominated turbulence. We further propose a new method to identify fast modes by analyzing the asymmetry of the SPA+ signature and establish a new asymmetry parameter to detect the presence of fast mode turbulence. Additionally, we confirm through numerical tests that the identification of the compressible and fast modes is not affected by Faraday rotation in both the emitting plasma and the foreground.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

Scientific objectives of a Solar Probe mission

The Solar Probe is a mission of exploration and discovery in an uninvestigated region near the sun. The Solar Probe can enhance general understanding of the corona and the solar wind. The first in situ measurements of coronal particles and fields are expected to provide definitive discriminators among many currently proposed models of processes that shape the structure and dynamics of the outer corona and solar wind. In addition, observations of the development of turbulence, nonlinear wave processes, plasma heating, and particle acceleration in the corona can advance these areas of plasma physics in a regime neither duplicated by earth-based laboratories nor by previous space exploration. It also fills the last gap between knowledge of the terrestrial response to solar output as well as provide insight for interpreting observations of general stellar envelopes.

Feldman, W.↗

NASA NTRS1995

The anomalous nuclear component in the three-dimensional heliosphere

The anomalous nuclear component is neither of solar nor galactic cosmic ray origin. Its presence in the heliosphere is an independent probe for both interplanetary electrodynamical investigations--especially solar modulation--and probably the most direct means for determining the elemental and isotopic composition of those neutral atoms in the local interstellar medium that have high first ionization potentials (e.g., He, N, O, Ne, Ar, etc.). This report is a brief account of the evolution of our knowledge of this component for readers not specializing in the subject. Included are the initial discoveries of the component, its composition, spectra, heliospheric radial and latitudinal intensity gradients, modulation over the approximately 22 year solar magnetic cycle, trapping in the magnetosphere and its use for estimating the location of a heliospheric termination shock. Recent measurements from the ULYSSES spacecraft have provided conclusive evidence that incoming neutral atoms, after photoionization by solar uv, are picked up by the solar wind, thus lending support for the concept that after their acceleration--probably at a termination shock--they return to the inner heliosphere as pseudo-cosmic rays. ULYSSES spacecraft investigations extending to approximately 56 deg south latitude reveal, for both the anomalous nuclear component and the galactic cosmic rays, that there is a surprisingly small latitudinal intensity gradient. Thus, for the current phase of the solar cycle, modulation is much more spherically symmetric in the inner solar system than had generally been believed. A further surprise is the continual presence of approximately 26 day recurrent modulation at hight latitudes, without corresponding magnetic field compressions. These results are changing our ideas and requiring modification of our models for solar modulation in three dimensions.

Simpson, J. A.↗

DOE OSTI2026

Violation of detailed balance in non-equilibrium magnons observed by inelastic neutron scattering

Traditional inelastic neutron scattering (INS) characterizes excitations—such as phonons and magnons—in condensed matter systems at thermodynamic equilibrium. However, the most intriguing and puzzling many-body effects in open quantum systems often emerge from dissipative dynamics that are inherently out of equilibrium. Here, we use a combination of laser pumping and INS to experimentally observe long-lived nonequilibrium magnons in a two-dimensional (2D) square-lattice Heisenberg antiferromagnet. These nonequilibrium magnons manifest themselves as a violation of detailed balance in the dynamic structure factor and reach steady states under periodic driving, analogous to nonequilibrium steady states in driven dissipative systems. Furthermore, we show that the violation of detailed balance reflects the quantum-mechanical nature of the underlying dynamical system, where out-of-time-ordered correlations of creation and annihilation operators do not satisfy commutation relations. The in operando INS technique developed here provides a new approach to studying nonequilibrium magnons in prototypical 2D quantum magnets and can be extended to other systems, including one-dimensional spin chains and topological many-body spin systems, where nonequilibrium effects are widespread and rich in discovery potential.

Hua, Chengyun [Oak Ridge National Laboratory (ORNL↗

DOE OSTI2022

Computational Design of Alloys for Energy Technologies

Advanced materials that maintain their mechanical performance under elevated temperatures, corrosive environments, and a range of static and evolving stresses are needed to improve the efficiency and reduce the environmental impact of a wide spectrum of energy technologies. For instance, cost-efficient alloys that can withstand high temperatures (e.g., 700 °C) have a critical role in improving the efficiency and economics of power generation to support decarbonization of the energy sector; such is true of both the nuclear and fossil energy sectors. Considering both the threats of the energy crisis, namely soaring costs of greenhouse gas emission-producing energy and climate change, it is essential to increase the pace of material discovery and enable rapid paths for material qualification to advance clean energy technologies. Conventionally, alloy development has followed a slow Edisonian process that uses repeated cycles of making, characterizing, and modifying to arrive at optimum composition and processing conditions to achieve the desired component performance. This optimization is followed by the necessary stepwise materials qualification. Furthermore, the increasing adoption of sound data management and physics-informed machine learning represents the next step in the acceleration of materials design and development. In the integrated computational materials engineering (ICME) approach, computational modeling and simulation data from different length and time scales can be combined with complex microstructural details from multimodal experimental characterization and selective property testing to close the design loop for rapid alloy development.

Computational Design Of Materials↗

DOE OSTI2025

Detection of visible-wavelength aurora on Mars

Mars hosts various auroral processes despite the planet’s tenuous atmosphere and lack of a global magnetic field. To date, all aurora observations have been at ultraviolet wavelengths from orbit. We describe the discovery of green visible-wavelength aurora, originating from the atomic oxygen line at 557.7 nanometers, detected with the SuperCam and Mastcam-Z instruments on the Mars 2020 Perseverance rover. Near–real-time simulations of a Mars-directed coronal mass ejection (CME) provided sufficient lead-time to schedule an observation with the rover. The emission was observed 3 days after the CME eruption, suggesting that the aurora was induced by particles accelerated by the moving shock front. To our knowledge, detection of aurora from a planetary surface other than Earth has never been reported, nor has visible aurora been observed at Mars. This detection demonstrates that auroral forecasting at Mars is possible, and that during events with higher particle precipitation, or under less dusty atmospheric conditions, aurorae will be visible to future astronauts.

Science & Technology - Other Topics↗