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DOE OSTI2023

Sensitivities of subgrid-scale physics schemes, meteorological forcing, and topographic radiation in atmosphere-through-bedrock integrated process models: a case study in the Upper Colorado River basin

Abstract. Mountain hydrology is controlled by interacting processes extending from the atmosphere through the bedrock. Integrated process models (IPMs), one of the main tools needed to interpret observations and refine conceptual models of the mountainous water cycle, require meteorological forcing that simulates the atmospheric process to predict hydroclimate then subsequently impacts surface–subsurface hydrology. Complex terrain and extreme spatial heterogeneity in mountainous environments drive uncertainty in several key considerations in IPM configurations and require further quantification and sensitivity analyses. Here, we present an IPM using the Weather Research and Forecasting (WRF) model which forces an integrated hydrologic model, ParFlow-CLM, implemented over a domain centered over the East River watershed (ERW), located in the Upper Colorado River basin (UCRB). The ERW is a heavily instrumented 300 km2 region in the headwaters of the UCRB near Crested Butte, CO, with a growing atmosphere-through-bedrock observation network. Through a series of experiments in the water year 2019 (WY19), we use four meteorological forcings derived from commonly used reanalysis datasets, three subgrid-scale physics scheme configurations in WRF, and two terrain shading options within WRF to test the relative importance of these experimental design choices for key hydrometeorological metrics including precipitation and snowpack, as well as evapotranspiration, groundwater storage, and discharge simulated by the ParFlow-CLM. Our hypothesis is that uncertainty from synoptic-scale forcings produces a much larger spread in surface–subsurface hydrologic fields than subgrid-scale physics scheme choice. Results reveal that the WRF subgrid-scale physics configuration leads to larger spatiotemporal variance in simulated hydrometeorological conditions, whereas variance across meteorological forcing with common subgrid-scale physics configurations is more spatiotemporally constrained. Despite reasonably simulating precipitation, a delay in simulated discharge peak is due to a systematic cold bias across WRF simulations, suggesting the need for bias correction. Discharge shows greater variance in response to the WRF simulations across subgrid-scale physics schemes (26 %) rather than meteorological forcing (6 %). The topographic radiation option has minor effects on the watershed-average hydrometeorological processes but adds profound spatial heterogeneity to local energy budgets (±30 W m−2 in shortwave radiation and 1 K air temperature differences in late summer). This is the first presentation of sensitivity analyses that provide support to help guide the scientific community to develop observational constraints on atmosphere-through-bedrock processes and their interactions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Assessing an aqueous flow cell designed for in situ crystal growth under X-ray nanotomography and effects of radiolysis products

Nucleation and growth of minerals has broad implications in the geological, environmental and materials sciences. Recent developments in fast X-ray nanotomography have enabled imaging of crystal growth in solutions in situ with a resolution of tens of nanometres, far surpassing optical microscopy. Here, a low-cost, custom-designed aqueous flow cell dedicated to the study of heterogeneous nucleation and growth of minerals in aqueous environments is shown. To gauge the effects of radiation damage from the imaging process on growth reactions, radiation-induced morphological changes of barite crystals (hundreds of nanometres to ∼1 µm) that were pre-deposited on the wall of the flow cell were investigated. Under flowing solution, minor to major crystal dissolution was observed when the tomography scan frequency was increased from every 30 min to every 5 min (with a 1 min scan duration). The production of reactive radicals from X-ray induced water radiolysis and decrease of pH close to the surface of barite are likely responsible for the observed dissolution. The flow cell shown here can possibly be adopted to study a wide range of other chemical reactions in solutions beyond crystal nucleation and growth where the combination of fast flow and fast scan can be used to mitigate the radiation effects.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Collinear drop

We introduce collinear drop jet substructure observables, which are unaffected by contributions from collinear radiation, and systematically probe soft radiation within jets. These observables can be designed to be either sensitive or insensitive to process-dependent soft radiation originating from outside the jet. Such collinear drop observables can be exploited as variables to distinguish quark, gluon, and color neutral initiated jets, for testing predictions for perturbative soft radiation in Monte Carlo simulations, for assessing models and universality for hadronization corrections, for examining the efficiency of pileup subtraction methods, and for any other application that leaves an imprint on soft radiation. We discuss examples of collinear drop observables that are based both on clustering and on jet shapes. Using the soft-collinear effective theory we derive factorization expressions for collinear drop observables from QCD jets, and carry out a resummation of logarithmically enhanced contributions at next-to-leading-logarithmic order. We also identify an infinite class of collinear drop observables for which the leading double logarithms are absent.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Comparison of Measured and Calculated Dose Rates for Ring Injection Dump Exchange at Spallation Neutron Source

According to the accelerator operation plan, the beam-stop and the proton beam window (PBW) assemblies of the existing Ring Injection Dump RID are replaced with fresh assemblies, when they have reached their end-of-life. End of-life is determinate by the stainless-steel beam-stop window having accumulated 10 dpa radiation damage. The exchange process took place during facility maintenance period that started in March 2023. Each of the spent assembles were put into specially designed storage containers temporarily residing near the RID building.The spent beam-stop is predicted to be the part of highest activation that has been removed in Spallation Neutron Source (SNS). The exchange processes require good work planning to minimize radiation exposure to personal. For each exchange step the residual dose rate distribution is calculated and the peak values are identified. This paper gives some examples of calculated vs measured doses during beam-stop assembly exchange.

Popova, Irina I.↗

DOE OSTI2023

Development of Automated Material Handling System with Alternate Gripper Designs for the Purpose of Increased Performance & Worker Safety

Savannah River National Laboratory’s (SRNL) Surplus Plutonium Disposition (SPD) Program leads the development and transition of automated unit operations for the processing of Plutonium oxide. A mixing can is opened, filled with material, mixed, set inside of a die can, and finally punched into compressed material. Replication of the process is constructed in A-area, where the mixing can weighs 1.6 kg (3.5 lbs.) and the compressed material weighs 4 kg (8.8 lbs.). Due to the constant process of Plutonium disposition, the fatigue on workers and worker dose accumulates quickly over time. SPD aims to automate this process by using a robotic arm to replace the hands-on worker. Automation will: Reduce worker radiation dose; Increase process throughout; Reduce costs for the disposition of Plutonium oxide.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

The Shortwave Spectral Radiometer for Atmospheric Science: Capabilities and Applications from the ARM User Facility

Industry advances have greatly reduced the cost and size of ground-based shortwave (SW) sensors for the ultraviolet, visible, and near-infrared spectral ranges that make up the solar spectrum, while simultaneously increasing their ruggedness, reliability, and calibration accuracy needed for outdoor operation. These sensors and collocated meteorological equipment are an important part of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility, which has supported parallel integrated measurements of atmospheric and surface properties for more than two decades at fixed and mobile sites around the world. The versatile capability of these ground-based measurements includes 1) rich spectral information required for retrieving cloud and aerosol microphysical properties, such as cloud phase, cloud particle size, and aerosol size distributions, and 2) high temporal resolution needed for capturing fast evolution of cloud microphysical properties in response to rapid changes in meteorological conditions. Here we describe examples of how ARM's spectral radiation measurements are being used to improve understanding of the complex processes governing microphysical, optical, and radiative properties of clouds and aerosol.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Nonsingular black holes as dark matter

It is commonly assumed that low-mass primordial black holes cannot constitute a significant fraction of the dark matter in our universe due to their predicted short lifetimes from the conventional Hawking radiation and evaporation process. Assuming physical black holes are nonsingular—likely due to quantum gravity or other high-energy physics—we demonstrate that a large class of nonsingular black holes have finite evaporation temperatures. This can lead to slowly evaporating low-mass black holes or to remnant mass states that circumvent traditional evaporation constraints. As a proof of concept, we explore the limiting curvature hypothesis and the evaporation process of a nonsingular black hole solution in two-dimensional dilaton gravity. We identify generic features of the radiation profile and compare them with known regular black holes, such as the Bardeen solution in four dimensions. Remnant masses are proportional to the fundamental length scale, and we argue that slowly evaporating low-mass nonsingular black holes, or remnants, are viable dark matter candidates. Published by the American Physical Society 2025

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

A Lattice Boltzmann Scheme for Polarized Radiative Transfer in Planetary Atmospheres

Quantitative calculation of reflected polarized light from planets is of great significance to interpret the polarimetric observations of planetary atmospheres. In this work, we propose a lattice Boltzmann (LB) scheme for polarized radiative transfer in planetary atmospheres. The LB scheme obtains the Stokes vector through the vector LB equation performing simple collision and streaming processes. The vector radiative transfer equation is rigorously derived from the vector LB equation via the Maxwell iteration technique. Polarized radiative transfer of a single point on the planetary surface with Rayleigh and Mie scattering atmospheres are first accurately solved by our LB scheme. Afterward, we systematically investigate the disk-integrated polarization of finite and semi-infinite, conservative and nonconservative Rayleigh scattering planetary atmospheres. The disk-integrated phase curves of the Stokes parameters and degree of polarization and spherical and geometric albedos are produced, which are in good agreement with the benchmark results for different cases. The numerical results indicate that our LB scheme is efficient and accurate for polarized radiative transfer in planetary atmospheres. Our LB scheme is expected to provide a competitive numerical tool to interpret the polarimetric observations of planetary atmospheres.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

SootLib: A soot model library for combustion simulation

Soot formation in combustion is an important process that affects radiative heat transfer, flame temperatures, and emissions with health and environmental impacts. Soot formation involves complex chemistry for nucleation, growth, oxidation, and coagulation processes. The soot particles vary widely in size and accurate modeling requires representation of the particle size distribution (PSD). Modeling soot is not trivial, and is only one of several physical processes active in combustion systems. This paper presents a software package called SootLib, which is an open-source library for modeling soot formation and other aerosol systems. SootLib is written in C++, is documented with Doxygen, and is available on GitHub. The library includes several models for soot chemistry and coagulation, and it represents the PSD using either a sectional model or the method of moments (MOM). Four closure approaches for the MOM are implemented allowing up to eight moments: monodispersed, an assumed-shape lognormal distribution, the quadrature method of moments, and the method of moments with interpolative closure. SootLib provides an interface for inclusion in other combustion packages including CFD or reacting flow solvers. The range of models allows comparisons and sensitivity studies, and the modularity facilitates extension to other soot models.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Radiation-induced dry reforming: A negative emission process

The reaction between the most abundant greenhouse gases (GHG) to produce hydrogen might represent the most powerful and effective decarbonizing opportunity, if a low-carbon energy source is used to drive it. This is the case of methane (CH 4 ) dry reforming (MDR) where its reaction with carbon dioxide (CO 2 ) produces synthesis gas (syngas, a mixture of carbon monoxide and hydrogen). Here this study explores the feasibility of using ionizing radiation to induce the MDR reaction, at low temperatures and/or less energy demanding conditions. Additionally, the ionizing radiation is proposed to be supplied by nuclear power plants (NPPs), which are low-carbon reliable energy generation sources. Thus, the radiolysis of CO 2 , CH 4 and their mixtures, under ?-irradiation was evaluated in the absence and presence of nickel catalysts. The radiation-induced MDR reaction and radiation-induced catalytic promotion were proven to take place at temperatures close to ambient though at low conversion, with yields below 1%. Since irradiation and heat can be provided by a nuclear power plant, this radiation-induced reaction establishes a connection between nuclear energy to renewable resources and enables a pathway for a decarbonized cleaner chemical industry, for producing green chemicals.

08 HYDROGEN↗

DOE OSTI2020

Femtosecond electronic structure response to high intensity XFEL pulses probed by iron X-ray emission spectroscopy

We report the time-resolved femtosecond evolution of the K-shell X-ray emission spectra of iron during high intensity illumination of X-rays in a micron-sized focused hard X-ray free electron laser (XFEL) beam. Detailed pulse length dependent measurements revealed that rapid spectral energy shift and broadening started within the first 10 fs of the X-ray illumination at intensity levels between 10 17 and 10 18 W cm -2 . We attribute these spectral changes to the rapid evolution of high-density photoelectron mediated secondary collisional ionization processes upon the absorption of the incident XFEL radiation. These fast electronic processes, occurring at timescales well within the typical XFEL pulse durations (i.e., tens of fs), set the boundary conditions of the pulse intensity and sample parameters where the widely-accepted ‘probe-before-destroy’ measurement strategy can be adopted for electronic-structure related XFEL experiments.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Big Data Health Physics

This project, in completion of the Illinois Institute of Technology’s Professional Masters of Health Physics program, represents a two part independent study wherein (1) a Statistical Analysis is performed on a new data process implemented at a Los Alamos National Laboratory facility and (2) a Project Management Plan is designed for the successful implementation of this new radiation protection management process.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Development of an Enhanced Radiation Physics Toolset for Modeling Spectral and Imaging Signatures in the Warm Dense Matter Experiments

Radiative and atomic processes in plasmas play a critical role in a wide variety of high energy density laboratory plasma (HEDLP) experiments. The emission, absorption, and transport of radiation can strongly affect the overall energetics and evolution of such plasmas. In addition, radiation-based diagnostics – including imaging, spectroscopy, and absolute flux measurements – are widely used to determine key features of HEDLPs. To advance our understanding of HEDLP science, it is vital to have high-fidelity computational physics tools that have well-tested radiation physics modeling, and that are readily accessible to researchers in the HEDLP community. Simulations play an extremely important role for planning and designing the experiments, as well as for post-experiment data analysis. Prism Computational Sciences develops software that is used by National Laboratories and universities (including five members of LaserNetUS network). Prominent examples of such research efforts include z-pinch and short-pulse laser experiments designed to study the basic physics of photoionized plasmas and photoionization fronts, as well as their application to astrophysical plasmas. The main effort was dedicated to the development of non-equilibrium equation-of-state (EOS) models within the HELIOS-CR code, a hydrodynamics code with inline collisional-radiative atomic kinetics. Gas cell experiments on Z and Omega demonstrated the importance of non-equilibrium effects on atomic kinetics in photoionized plasmas. Recent proof-of-principle experiments on Omega EP confirmed the advantages of using a short-pulse laser to create an intense radiation drive, leading to additional experiments being proposed. Photoionization front experiments at LLE also emphasizes the importance of radiation and atomic physics. In both studies, HELIOS-CR simulations played a crucial role in computing non-equilibrium opacities and ionization distributions. A newly developed non-LTE EOS model will help addressing possible non-equilibrium effects, on for example specific heat, and their influence in plasma evolution. Prism also implemented support for open-source atomic data generated by the Flexible Atomic Code. This allows researchers to generate custom atomic tables and use them within the complex framework of simulation tools developed by Prism. The ability to use open-source atomic data would be extremely valuable for hydrodynamics and spectroscopic simulations that include high-Z materials, e.g., picosecond x-ray pulse generation experiments. Support for new atomic structures was fully implemented, and the data can be used by all simulation tools developed at Prism: radiation-hydrodynamics, imaging and spectroscopy, EOS and opacity. The development resulted in a significant fidelity enhancement to the simulations tools developed by Prism that are currently used in other cutting-edge experiments including: opacity measurement experiments performed to both understand the basic radiative and atomic properties of plasmas as well as provide data for more accurately modeling the internal structure of the Sun and other stars, high-intensity short-pulse laser experiments performed to develop short-wavelength light sources for use as backlighters and to investigate fast ignition concepts for inertial fusion energy; capsule implosion experiments designed to develop inertial fusion as an energy source, etc.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Radiative decay branching ratio of the Hoyle state

The triple-alpha process is a vital reaction in nuclear astrophysics, characterized by two consecutive reactions [2α ⇌ 8 Be (α, γ) 12 C] that drive carbon formation. The second reaction occurs through the Hoyle state, a 7.65 MeV excited state in 12 C with J π = 0 + . The rate of the process depends on the radiative width, which can be determined by measuring the branching ratio for electromagnetic decay. Recent measurements by Kibédi et al. conflicted with the adopted value and resulted in a significant increase of nearly 50% in this branching ratio, directly affecting the triple-alpha reaction. Here, this work aims to utilize charged-particle spectroscopy with magnetic selection as a means to accurately measure the total radiative branching ratio (Γ rad /Γ) of the Hoyle state in 12 C.

6 ≤ A ≤ 19↗

DOE OSTI2025

A Fortran–Python interface for integrating machine learning parameterization into earth system models

Abstract. Parameterizations in earth system models (ESMs) are subject to biases and uncertainties arising from subjective empirical assumptions and incomplete understanding of the underlying physical processes. Recently, the growing representational capability of machine learning (ML) in solving complex problems has spawned immense interests in climate science applications. Specifically, ML-based parameterizations have been developed to represent convection, radiation, and microphysics processes in ESMs by learning from observations or high-resolution simulations, which have the potential to improve the accuracies and alleviate the uncertainties. Previous works have developed some surrogate models for these processes using ML. These surrogate models need to be coupled with the dynamical core of ESMs to investigate the effectiveness and their performance in a coupled system. In this study, we present a novel Fortran–Python interface designed to seamlessly integrate ML parameterizations into ESMs. This interface showcases high versatility by supporting popular ML frameworks like PyTorch, TensorFlow, and scikit-learn. We demonstrate the interface's modularity and reusability through two cases: an ML trigger function for convection parameterization and an ML wildfire model. We conduct a comprehensive evaluation of memory usage and computational overhead resulting from the integration of Python codes into the Fortran ESMs. By leveraging this flexible interface, ML parameterizations can be effectively developed, tested, and integrated into ESMs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

A Fortran-Python Interface for Integrating Machine Learning Parameterization into Earth System Models

Parameterizations in Earth System Models (ESMs) are subject to biases and uncertainties arising from subjective empirical assumptions and incomplete understanding of the underlying physical processes. Recently, the growing representational capability of machine learning (ML) in solving complex problems has spawned immense interests in climate science applications. Specifically, ML-based parameterizations have been developed to represent convection, radiation and microphysics processes in ESMs by learning from observations or high-resolution simulations, which have the potential to improve the accuracies and alleviate the uncertainties. Previous works have developed some surrogate models for these processes using ML. These surrogate models need to be coupled with the dynamical core of ESMs to investigate the effectiveness and their performance in a coupled system. In this study, we present a novel Fortran-Python interface designed to seamlessly integrate ML parameterizations into ESMs. This interface showcases high versatility by supporting popular ML frameworks like PyTorch, TensorFlow, and Scikit-learn. We demonstrate the interface's modularity and reusability through two cases: a ML trigger function for convection parameterization and a ML wildfire model. We conduct a comprehensive evaluation of memory usage and computational overhead resulting from the integration of Python codes into the Fortran ESMs. By leveraging this flexible interface, ML parameterizations can be effectively developed, tested, and integrated into ESMs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Measurement of proton electromagnetic form factors in the time-like region using initial state radiation at BESIII

The electromagnetic process e + e - → $p\bar{p}$ is studied with the initial-state-radiation technique using 7.5 fb -1 of data collected by the BESIII experiment at seven energy points from 3.773 to 4.600 GeV. The Born cross section and the effective form factor of the proton are measured from the production threshold to 3.0 GeV/c 2 using the $p\bar{p}$ invariant-mass spectrum. The ratio of electric and magnetic form factors of the proton is determined from the analysis of the proton-helicity angular distribution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Subphotospheric Emission from Short Gamma-Ray Bursts: Protons Mold the Multimessenger Signals

Abstract The origin of the observed Band-like photon spectrum in short gamma-ray bursts (sGRBs) is a long-standing mystery. We carry out the first general relativistic magnetohydrodynamic simulation of an sGRB jet with initial magnetizationσ 0 = 150 in dynamical ejecta from a binary merger. From this simulation, we identify regions along the jet of efficient energy dissipation due to magnetic reconnection and collisionless subshocks. Taking into account electron and proton acceleration processes, we solve for the first time the coupled transport equations for photons, electrons, protons, neutrinos, and intermediate particle species up to close to the photosphere (i.e., up to 1 × 10 12 cm), accounting for all relevant radiative and cooling processes. We find that the subphotospheric multimessenger signals carry strong signatures of the hadronic interactions and their resulting particle cascades. Importantly, the spectral energy distribution of photons is significantly distorted with respect to the Wien one, commonly assumed below the photosphere. Our findings suggest that the bulk of the nonthermal photon spectrum observed in sGRBs can stem from hadronic processes occurring below the photosphere and previously neglected, with an accompanying energy flux of neutrinos peaking in the GeV energy range.

Astronomy & Astrophysics↗