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DOE OSTI2022

Code-to-code comparison and validation of the radiation-hydrodynamics capabilities of the FLASH code using a laboratory astrophysical jet

The potential for laser-produced plasmas to yield fundamental insights into high energy density physics (HEDP) and deliver other useful applications can sometimes be frustrated by uncertainties in modeling the properties and behavior of these plasmas using radiation-hydrodynamics codes. In an effort to overcome this and to corroborate the accuracy of the HEDP capabilities in the publicly available FLASH radiation-hydrodynamics code, we present detailed code-to-code comparisons between FLASH and the HYDRA code developed at Lawrence Livermore National Laboratory using previously published HYDRA simulations from Grava et al. [Phys. Rev. E 78, 016403 (2008)]. That study describes a laser experiment that produced a jet-like feature that the authors compare to astrophysical jets. Importantly, the Grava et al. [Phys. Rev. E 78, 016403 (2008)] experiment included detailed x-ray interferometric measurements of electron number densities and a time-integrated measurement of the soft x-ray spectrum. Despite markedly different methods for treating the computational mesh, and different equations of state and opacity models, the FLASH results resemble the results from HYDRA and, most importantly, the experimental measurements of electron density. Having validated the FLASH code in this way, we use the code to further investigate and understand the formation of the jet seen in the Grava et al. [Phys. Rev. E 78, 016403 (2008)] experiment and discuss its relation to the Wan et al. [Phys. Rev. E 55, 6293 (1997)] experiment at the NOVA laser.

Orban, Chris (ORCID:0000000312004538)↗

DOE OSTI2021

Measurements of scattering and absorption properties of submillimeter bauxite and silica particles

Submillimeter solid particles have been considered as thermal storage media for concentrated solar power applications. Knowledge of the scattering and absorption properties of individual particles is crucial for modeling the radiative heat transfer of the particle bed. In this work, a laser scatterometer is used to measure the single-particle scattering properties at a wavelength of 635 nm by using two configurations: (1) a falling particle curtain and (2) a taped particle layer. Because a one-particle nominal thickness is formed with area fractions of 5-55% depending on the configuration, multiple scattering is minimized and hence the single scattering phase function, averaged over all illuminated particles, is directly measured. Bauxite-based ceramic particles that are strongly absorbing in the solar spectrum and silica particles that are nonabsorbing in the visible and near-infrared are investigated. The directional-hemispherical reflectance and transmittance of the taped particles are also measured to deduce the forward and backward scattering efficiency factors and the absorption efficiency factors. Only weak wavelength dependence is observed in the measured region from 380 nm to 1020 nm. Furthermore, the scattering phase functions of all bauxite-based particles with varying sizes and compositions are very similar and can be fitted to a Henyey-Greenstein phase function with an asymmetry factor g = -0.20. For the silica particles, forward scattering dominates and g = 0.45 yields the best fit. A Monte Carlo method is developed to model the particle scattering characteristics, and reasonable agreements between the modeling and experimental results are observed by introducing a specularity parameter.

42 ENGINEERING↗

DOE OSTI2025

Unravelling the radiation-induced redox chemistry of plutonium ions in aqueous solution

Plutonium plays a critical role in nuclear fuel cycle technologies, but our understanding of its fundamental radiation-induced redox chemistry is limited. Changes in oxidation states affect the speciation and transport of plutonium ions in solution. For example, solvent extraction techniques used to separate and recover plutonium from used nuclear fuel rely on the selective formation, maintenance, and complexation of specific plutonium oxidation states. However, radiolytically generated radicals, ions, and molecules can drive the oxidation state distribution of plutonium ions far from equilibrium, ultimately changing the physical and chemical properties of the bulk system. These radiation-induced processes are inevitable due to the ionizing radiation fields generated by the radioactive decay of plutonium and its daughter nuclides. Therefore, mechanistically understanding how plutonium's various oxidation states respond to ionizing radiation is essential for predicting its behavior in solution. Here, we present significant advances in our understanding of radiation-induced plutonium redox chemistry by using time-resolved (electron pulse) and dose accumulation (alpha and gamma) irradiation techniques, along with quantitative multiscale modeling methods.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Computational Exploration of High Entropy Alloys as Promising Materials for Future Beam Windows

With the ever-increasing demand for high beam power, the currently used beam-intercepting devices (BIDs) such as targets, and beam windows may not be able to handle the high power required for future accelerator complexes or the lifetime may be reduced drastically. As beam power increases, the damage incurred by BIDs, including thermal shock, fatigue, and irradiation damage, also rises. Therefore, it is imperative to design materials that can withstand high beam power for longer lifetimes. High entropy alloys (HEAs) have emerged as potential alternative materials for designing next-generation BIDs. In this study, we primarily focus on materials for developing beam windows for next-generation accelerator complexes. We propose an integrated approach that combines various computational techniques to study and design new materials. Specifically, we use CALPHAD, density functional theory (DFT), and molecular dynamics (MD) to comprehensively investigate the defect properties of suitable HEAs, offering potential alternatives for future beam windows. We begin by scanning the extensive phase space provided by Cr-Mn-V-Ti-Al-Co HEAs, selecting 8 compositions after evaluating approximately 120,000 unique compositions using CALPHAD. We, then employ DFT-informed machine learning techniques to develop force-field parameters. Finally, MD simulations using these developed force-field parameters will be used to study the effects of radiation damage on the defect and mechanical properties of the selected alloys. This research explains the use of the CALPHAD approach and shows how critical modeling (DFT and MD) is in developing novel material such as HEAs. It also highlights the promising role of machine learning in this field. The results from this study will greatly improve the novel materials development to be used in next-generation accelerator components, leading to higher beam power and longer operational times of BIDs.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Independent Verification Plan for Clearance of Real Property of the Operation Roller Coaster Sites

The U.S. Department of Energy (DOE) is pursuing release of the Operation Roller Coaster sites under DOE O 458.1, “Radiation Protection of the Public and the Environment.” The requirements for clearance and release of property under DOE O 458.1 are implemented when DOE intends to facilitate transfer of responsibility or control of real property from DOE. DOE O 458.1 prescribes that all radiological monitoring or surveys performed in support of clearance of property must use methods such as the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) method or other methods approved by DOE. DOE O 458.1 requires an Independent Verification for the clearance of real property. This Independent Verification Plan outlines the process for validating the method and implementation of the MARRSIM process for release of the Operation Roller Coaster sites.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Understanding Biases in Simulated Cloud Radiative Effects in E3SMv3

This study systematically investigates biases in cloud radiative effects (CREs) within the recently released Energy Exascale Earth System Model version 3 (E3SMv3). Compared to its previous version (E3SMv2), E3SMv3 shows excessively strong shortwave CRE over tropical and subtropical oceans, the Southern Ocean, and the Northern Hemisphere storm tracks, which is primarily caused by an overestimation of optically intermediate low clouds. The model also displays excessive longwave CRE over the Maritime Continent and other tropical deep convection regions, resulting from an overestimation of optically thick high clouds. Implementing the Predicted Particle Properties (P3) scheme for stratiform clouds played the most significant role in these cloud changes. In addition, using a double-moment scheme for convective clouds contributed to the increase in intermediate low clouds and optically thick clouds in tropical deep convection regions. Error metrics for total cloud amount (E TCA ), cloud properties (E ctp-τ ), and cloud properties weighted by their SW and LW radiative impacts (E SW and E LW ) indicate that E3SMv3's ability to reproduce observed cloud radiative effect of low, middle, and high clouds has not been improved compared to E3SMv2. Nevertheless, the performance of E3SMv3 remains well within the spread of CMIP6 models, with E SW and E LW values smaller than those in most CMIP6 models. This study underscores the importance of integrating diverse satellite observations for robust cloud evaluation and using cloud-radiation relationships as consistency check for model errors. It suggests that further model developments focus on improving cloud microphysics and their interactions with radiation.

Environmental sciences↗

DOE OSTI2025

Crystal growth, scintillation properties & fast neutron-gamma discrimination of cubic halide perovskite CsCaCl 3 :(Eu 2+ , Tl + )

The vast variety of nuclear security applications require radiation detection materials tailored to their operational needs. A scintillator’s properties are strongly influenced by the choice of luminescent dopant, which facilitates customization to different applications. In this work, transparent Ø12 mm single crystals of undoped CsCaCl 3 , CsCaCl 3 :1% Eu, CsCaCl 3 :1% Tl, and CsCaCl 3 :1% Eu, 1% Tl were grown via the Vertical Bridgman method. Their scintillation properties and fast neutron-gamma discrimination capabilities were investigated. Undoped CsCaCl 3 had a light yield of 2,500 ph/MeV, which is the highest reported to date for this CVL material. The incorporation of Eu 2+ or Tl + into CsCaCl 3 as luminescence centers resulted in significantly higher light yields of ∼16,000 ph/MeV and energy resolutions of ∼8% at 662 keV. Compared to the single dopant counterparts, CsCaCl 3 :Eu, Tl had significantly suppressed afterglow; however, this came at the cost of reduced light yield. Among the materials tested, only CsCaCl 3 :Tl showed effective fast neutron and gamma discrimination capabilities, achieving a Figure of Merit of 3.2 between gamma-rays and fast neutron captures that produce protons and 1.6 between gamma-rays and fast neutron captures that produce alpha particles.

crystal growth↗

DOE OSTI2022

A tandem radiative/evaporative cooler for weather-insensitive and high-performance daytime passive cooling

Radiative cooling and evaporative cooling with low carbon footprint are regarded as promising passive cooling strategies. However, the intrinsic limits of continuous water supply with complex systems for evaporative cooling, and restricted cooling power as well as the strict requirement of weather conditions for radiative cooling, hinder the scale of their practical applications. Here, we propose a tandem passive cooler composed of bilayer polymer that enables dual-functional passive cooling of radiation and evaporation. Specifically, the high reflectivity to sunlight and mid-infrared emissivity of this polymer film allows excellent radiative cooling performance, and its good atmospheric water harvesting property of underlayer ensures self-supply of water and high evaporative cooling power. Consequently, this tandem passive cooler overcomes the fundamental difficulties of radiative cooling and evaporative cooling and shows the applicability under various conditions of weather/climate. It is expected that this design can expand the practical application domain of passive cooling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Estimation of the radiation budget during MOSAiC based on ground-based and satellite remote sensing observations

An accurate representation of the radiation budget is essential for investigating the impact of clouds on the climate system, especially in the Arctic, an environment highly sensitive to complex and rapid environmental changes. In this study, we analyse a unique dataset of observations from the central Arctic made during the MOSAiC (Multidisciplinary drifting Observatory for the Study of Arctic Climate) expedition in conjunction with state-of-the-art satellite products from CERES (Clouds and the Earth's Radiant Energy System) to investigate the radiative effect of clouds and radiative closure at the surface and the top of the atmosphere (TOA). We perform a series of radiative transfer simulations using derived cloud macro- and microphysical properties as inputs to the simulations for the entire MOSAiC period, comparing our results to collocated satellite products and ice-floe observations. The radiative closure biases were generally within the instrumental uncertainty, indicating that the simulations are sufficiently accurate to reproduce the radiation budget during MOSAiC. Comparisons of the simulated radiation budget relative to CERES show similar values in the terrestrial flux but relatively large differences in the solar flux, which are attributed to a lower surface albedo and a possible underestimation of atmospheric opacity by CERES. While the simulation results were consistent with the observations, more detailed analyses reveal an overestimation of simulated cloud opacity for cases involving geometrically thick ice clouds. In the annual mean, we found that, during the MOSAiC expedition, the presence of clouds leads to a loss of 5.2 W m −2 of the atmosphere–surface system to space, while the surface gains 25.0 W m −2 and the atmosphere is cooled by 30.2 W m −2 .

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Ultra-high-dose-rate FLASH and Conventional-Dose-Rate Irradiation Differentially Affect Human Acute Lymphoblastic Leukemia and Normal Hematopoiesis

Ultra-high-dose-rate FLASH radiation therapy has been shown to minimize side effects of irradiation in various organs while keeping antitumor efficacy. This property, called the FLASH effect, has caused enthusiasm in the radiation oncology community because it opens opportunities for safe dose escalation and improved radiation therapy outcome. Here, we investigated the impact of ultra-high-dose-rate FLASH versus conventional-dose-rate (CONV) total body irradiation (TBI) on humanized models of T-cell acute lymphoblastic leukemia (T-ALL) and normal human hematopoiesis.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2024

Quantum Simulations of Radiation Damage in a Molecular Polyethylene Analog

Abstract An atomic‐level understanding of radiation‐induced damage in simple polymers like polyethylene is essential for determining how these chemical changes can alter the physical and mechanical properties of important technological materials such as plastics. Ensembles of quantum simulations of radiation damage in a polyethylene analog are performed using the Density Functional Tight Binding method to help bind its radiolysis and subsequent degradation as a function of radiation dose. Chemical degradation products are categorized with a graph theory approach, and occurrence rates of unsaturated carbon bond formation, crosslinking, cycle formation, chain scission reactions, and out‐gassing products are computed. Statistical correlations between product pairs show significant correlations between chain scission reactions, unsaturated carbon bond formation, and out‐gassing products, though these correlations decrease with increasing atom recoil energy. The results present relatively simple chemical descriptors as possible indications of network rearrangements in the middle range of excitation energies. Ultimately, the work provides a computational framework for determining the coupling between nonequilibrium chemistry in polymers and potential changes to macro‐scale properties that can aid in the interpretation of future radiation damage experiments on plastic materials.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2025

Development of interatomic potential and effect of ordering on defect properties in CrMnV

Developing materials that can withstand extreme environments, such as high radiation doses and elevated temperatures, is crucial for next-generation particle accelerators, including the 2.4 MW Long-Baseline Neutrino Facility. High-Entropy Alloys have emerged as promising candidates for beam window materials due to their superior mechanical strength, corrosion resistance, and radiation tolerance. In this study, we focus on the Cr–Mn–V alloy system, developing and employing machine-learning interatomic potentials (MLIPs) to investigate the formation of an ordered phase and its influence on defect properties. Using hybrid Monte Carlo-Molecular Dynamics simulations, we observe the formation of a B2-ordered phase at lower temperatures, consistent with Density Functional Theory (DFT) predictions. Ordered structures display a bimodal distribution of migration energies and reduced mean square displacement values, indicating suppressed vacancy diffusion. Our results also show that the migration energy barrier varies based on the atomic species, with Mn and V exhibiting the highest and lowest average barriers, respectively. These findings suggest that atomic ordering inhibits defect mobility, potentially enhancing the radiation resistance of CrMnV alloys. The validated MLIP provides a reliable framework for simulations that are faster than traditional DFT while maintaining the accuracy required to study defect and ordering properties.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Effect of Gamma Radiation on TaOₓ ECRAM

Electrochemical random access memory (ECRAM) is an emerging three-terminal nonvolatile memory (NVM) with highly controllable channel conductance which is promising for use as an analog memory (or synapse) in analog in-memory computing (IMC) systems. Energy-efficient analog IMC computing is particularly desirable for power-constrained, high-radiation environments such as satellites. However, little is known about the suitability of ECRAM for use in a total ionizing dose (TID) environment. Here, this work investigates the effect of Co-60 gamma radiation on the channel conductance and noise—two properties critical for analog IMC systems—of a TaO x -based ECRAM up to 17.3 Mrad(SiO 2 ) for both low- and high-channel-conductance state devices. A transient increase in conductance is observed in response to radiation which consists of two elements: an immediate increase in conductivity due to photocurrent and a secondary increase in conductivity, which has a slower rise and saturation and can persist for hours after exposure. This secondary, persistent photoconductivity is attributed to charging caused by hole trapping. These transient effects would not likely occur in a space environment due to the low dose rate compared with this experiment. No permanent change is found in the low conductance state (LCS) following exposure and the minor shift in the high conductance change would be less significant than the regular retention decay in this state. A permanent increase in the random telegraph noise is observed, possibly due to increased traps created in the channel. This work demonstrates that TaO x -based ECRAM is suitable for use in spaceborne analog IMC systems that are subject to significant TID.

ECRAM↗

DOE OSTI2023

Materials for Gamma Radiation Sensors

Sensors used for spectroscopic measurements of gamma radiation are most often scintillator or semiconductor materials. An overview is provided in this chapter on the materials and development techniques used in producing spectroscopic gamma radiation sensors. Challenges that prevent a perfect sensor are discussed along with the reasons why some sensor materials are ubiquitous despite their performance limitations. The types of sensors commonly used as detectors are discussed along with their key physical properties and electronic characteristics. Materials commonly utilized in radiation detectors are then reviewed to highlight how sensor materials have advanced since the earliest gamma detectors were developed

Johns, Paul M.↗

DOE OSTI2024

Gamma, electron beam and X-ray irradiation effects on polymers in an advanced bone cement mixer device

The medical device industry has been investigating ways to increase the use of alternatives to cobalt-60 gamma radiation and ethylene-oxide gas sterilization, such as electron beam (E-beam) and X-ray radiation, due to regulatory and market pressures. One impediment to switching to E-beam or X-ray technology for sterilization is the lack of data on the effects of these radiation sources on medical device polymers. To provide such data this work considers irradiation and testing of a common single-use medical bone cement mixing system, the Stryker Advanced Cement Mixer (ACM®), that is composed of seven polymer materials. The ACM® devices considered here were processed to sterilization-relevant doses (15, 25, 50, and 70 kGy) using three radiation technologies: gamma, E-beam, and X-ray. The system and its polymer components were tested for product functionality, as well as mechanical and visual properties to determine how exposure effects may be influenced by radiation technology and dose level. We found that although there were instances of statistically significant differences in effects between the gamma-irradiated products and those irradiated with E-beam and X-ray, those effects were negligible in terms of retained functionality of the product and retained mechanical properties of the polymer components. Overall, results of this study demonstrate that, for of the effects studied, E-beam and X-ray are viable alternatives to cobalt-60 gamma radiation for sterilization of the polymer-based device investigated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Electron cyclotron emission measurements and modeling in optically semi-transparent plasma on the HSX stellarator

On the Helically Symmetric Experiment (HSX), electron cyclotron emission (ECE) at the second harmonic of the electron gyrofrequency is measured with a 16-channel heterodyne receiver. An ECE radiometer diagnostic has been calibrated with a broadband frequency source, allowing independent measurements of the electron temperature. The antenna pattern has a significant impact on the measurements, and modeling its effect is necessary to produce an ECE radiation temperature spectrum. Measurements, calibration results, and modeling of the ECE data are presented in this paper. At a relatively high plasma density, HSX plasmas are thermal, and the radiation temperature measured by the radiometer is in good agreement with the electron temperature measured by a Thomson scattering diagnostic. At a relatively low plasma density, the deviation from a Maxwellian distribution is large, and asymmetry in the radiation temperature profile is measured. These measurements are supported by single-pass and multi-pass ray tracing calculations of the electron cyclotron emission using the TRAVIS ray tracing code. Thermal and nonthermal electron populations exist in HSX, and the effect of these populations on the asymmetry in the measured emission is presented.

Cyclotron radiation↗

DOE OSTI2021

Quantifying the Solar Energy Resource for Puerto Rico

After Hurricane Maria, multiple U.S. Department of Energy laboratories studied the state of the electric grid in Puerto Rico and analyzed grid resilience and grid integration of renewable energy. As part of the work done at the National Renewable Energy Laboratory, researchers created new solar resource data, conducted a technical potential and supply curve analysis, and studied the interannual variability of the solar resource. A new methodology was developed to downscale solar resource data from the National Solar Radiation Data Base (NSRDB) from a 4-km x 4-km spatial and 30-minute temporal resolution to a 2 km x 2 km and 5-minute resolution. This methodology primarily used simple physical principles to develop high-resolution cloud properties which were then used to compute solar radiation. The high-resolution datasets were validated against ground measurements and the error metrics were found to be similar to the original lower resolution dataset. Using 20 years of downscaled data from the NSRDB multi-year capacity factors for photovoltaics (PV) were developed for both single-axis tracking and fixed latitude-tilt configurations. Use of the multi-year data provides the ability to understand variability in capacity factors due to variability in weather over a long period of time. For Puerto Rico the coastal regions were found to have significant higher capacity factors than inland. Using land-use and terrain information a technical potential analysis was conducted for Puerto Rico. This analysis restricted single PV plant development to a maximum of 100 MW nameplate capacity. The nameplate capacity for each municipality were then determined. Based on our assumptions, 56 of the 78 total municipalities of Puerto Rico contain some level of solar capacity. Most of the interior municipalities did not have any capacity because of the geographic exclusions used in this study. The lowest capacity for a PV plant observed in a municipality was 10 MW. The maximum capacity within a county was 2,000 MW. Further a supply curve analysis was conducted by taking the results of the technical potential and quantifying system and transmission costs. The levelized cost of energy (LCOE) was calculated for each theoretical PV plant site, and the levelized cost of transmission was added to the LCOE to produce a total cost estimate for each site. The results of the supply curve analysis allow for a relative comparison of the cost for integrating new PV capacity into the grid. This analysis indicates that cheaper total LCOE sites tend to be larger in capacity. The total capacity in this study was found to be far beyond the maximum peak load for the island. However, this study does not consider the economic and market potential for development. The cumulative capacity presented in this study assumes that the best locations are developed first and ignores the complex decision paths for new power plant development. Therefore, this analysis can only be treated as illustrative. Finally this study investigates the impact of inter-annual variability of resource using a variety of metrices including probability of exceedance and variation in capacity factor and LCOE. This study demonstrates that the capacity factor or LCOE could vary by over 10% year to year. This clearly indicates the risks involved in using any particular year of data and clearly points to the use of multi-year data to reduce some of the risks related to variability in weather.

14 SOLAR ENERGY↗

DOE OSTI2021

Radiation Effects Related to Repaired BWR Core Shrouds

The material properties of the core shroud and supporting tie rod components are important factors for Boiling Water Reactor (BWR) life extension considerations. Given the variability of nickel and boron content found in 304 stainless steel shroud plates, and XM-19 and Inconel X-750 tie rod materials, this paper combines the latest spectral information in the vicinity of the core shroud to calculate hydrogen and helium gas production limits as well as atomic displacement damage spanning 80 full-power years (FPY) using the SPECTER code. Results indicate that, whereas boron has little effect on the atomic displacement damage, helium production from boron can be important and must be included in weldability assessments. Since the boron concentration is uncertain, helium generation is calculated assuming a composition range based on specifications and reported measurements. The results show that helium production caused by transmutations in the 304 SS shroud material are dominated by the concentration of boron and will have a significant impact on weldability after only a few years of service. For tie rods, the susceptibility to irradiation-assisted stress corrosion cracking (IASCC) has been assessed by determining helium production in Inconel X-750 IASCC specimens irradiated in the Advanced Test Reactor (ATR) reactor and correlating with the helium produced in a BWR. As a tie rod material in a high thermal neutron flux environment, Inconel X-750 is more likely to be IASCC sensitive during service in a BWR due to helium than the XM-19 stainless steel alloy because of a greater nickel content and boron concentration. Weldability of the core shroud plate material, IASCC of the tie rod materials, and the gamma photon contribution to radiation damage are discussed.

radiation damage in materials, BWR↗