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At least 181 records · Page 10

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DOE OSTI2025

SIERRA Low Mach Module: Fuego Verification Manual - Version 5.24

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Sierra/PMR handles the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

SIERRA Low Mach Module: Fuego Verification Manual (V.5.26)

42 ENGINEERING↗

DOE OSTI2026

SIERRA Low Mach Module: Fuego Verification Manual - Version 5.28

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2026

SIERRA Low Mach Module: Fuego Verification Manual - Version 5.30

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

The genome of the polyextremophilic yeast, Naganishia friedmannii, reveals adaptations involved in stress response pathways, carbohydrate metabolism expansion, and a limited DNA repair repertoire

Here we report the draft genome sequence of Naganishia friedmannii (formerly Cryptococcus friedmannii) isolate, a Basidiomycota yeast commonly found in some of the most extreme environments of the Earth's cryosphere. We isolated N. friedmannii strain Llullensis from soils at 6000 m above sea level on Volcán Llullaillaco, Argentina. The genome was 22.2 Mb with 6251 identified protein coding genes. Proteins known to be associated with thermal, osmotic, and radiation stress were identified in the genome. Comparative analysis with seven other Naganishia genomes revealed unique features underlying its polyextremophilic lifestyle. Naganishia friedmannii showed an expansion of genes involved in breaking down plant-derived carbohydrates, supporting the hypothesis that it survives at high elevations by metabolizing wind-deposited organic matter. Surprisingly, many genes involved in cell-cycle checkpoints and DNA repair were missing, as in several other Naganishia species. This extensive loss may be adaptive in extreme environments prone to abiotic stress, where a high mutation rate could generate advantageous traits, and reduced cell-cycle control may allow for faster reproduction that would be advantageous for rapid growth during brief periods of soil wetting following rare snow events.

Vimercati, Lara↗

DOE OSTI2020

Using Robotic Manipulators for Radioactive Waste Inspection - 20090

The global nuclear industry has a growing volume of nuclear waste which needs to be scanned, sorted according to its activity and material type, then processed into the correct waste packages for long term storage and disposal. It is vital that there is a detailed understanding of the waste inventory stored in long term waste containers, as knowledge of their contents could predict or prevent any adverse effects in storage. The numerous 'scan and sort' tables which are currently used at many different facilities around the world to sort waste into their correct containers are human operated and require very slow gamma scanning procedures combined with educated guesswork to manually sort the waste. This often leads to excessive conservatisms, with placement of lower activity wastes in higher activity containers, which in turn costs significantly more to store. In the United Kingdom it costs UK Pounds 46 k per cubic meter to store intermediate level waste compared to just UK Pound 2.9 k per cubic meter to store low level waste according to a 2008 Department of Energy and Climate Change report in the UK. A proposed solution to this problem, is the use of a robotic manipulator to automatically inspect the 'scan and sort table' in order to produce an accurate 3D model of the table's waste contents and attach an overlaid radiation map. The radiation map contains spectrometry data and can in consequence be used to distinguish and locate specific radioisotopes. The 3D model should be as accurate as possible in order to allow for a second robot arm with an attached gripper to grasp the objects and place them into their designated long-term storage container. Various scanning procedures are explored in this study including basic raster scanning, adaptive raster scanning and point sampling. The optimal solution will in practice be defined by the required application and activity level of the wastes being inspected. The results presented in this study indicate that it is possible to produce a centimeter accurate 3D model of a mixed assortment of components on a nuclear waste 'scan and sort' table. In addition, it was shown that the waste objects emitting radiation could be accurately identified and located, with an overlaid radiation map. This study is applicable across the nuclear waste management sector. Many of the ideas and concepts developed in this study are applicable in other decommissioning settings for example, dismantling of legacy gloveboxes or routine inspection of nuclear waste packages in storage. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Combustion of petroleum-based transportation fuels and their blends with biofuels: a new approach for developing surrogates and understanding the effects of blending

Accurate and versatile reaction mechanisms are necessary to simulate combustion of transportation fuels blended with biofuels for improving fuel efficiency, reducing fuel consumption and mitigating the formation and emissions of combustion products harmful to the atmosphere. This project involved a combined effort of simulation and experimentation of liquid fuel burning using a combustion configuration amenable to numerical modeling with a level of detail not previously achieved for blends of biofuels with gasoline certification and surrogate fuels. The configuration of an isolated droplet burning under conditions where gas transport arises solely from fuel evaporation was selected as the platform for experiments and numerical modeling. The spherical symmetry and one-dimensional gas transport that results enabled simulating the droplet burning process with an precedented level of detail. Processes associated with unsteady gas and liquid transport, formation of particulate and gaseous products, radiation, multicomponent phase equilibrium at the droplet surface and moving boundary effects from droplet evaporation, were incorporated in a single numerical framework. The numerical model was based on the open source code OPENSmoke++ (OS) adapted to incorporate the effects noted above. In addition to simulation, an experimental design was developed for the isolated droplet configuration to acquire the data needed for validating the numerical model. Several broad accomplishments of the project were the following: demonstrating generally excellent agreement between measured and simulated combustion parameters for the fuel blends examined that included mixtures of heptane and isobutanol as a model system, and surrogates comprised of up to seven miscible components mixed with ethanol or isobutanol as representative biofuel additives; using a new approach to validate reaction mechanisms of biofuel blends which incorporated fuel evaporation into the process along with developing an experimental design for acquiring data to compare with simulations; and showing that a wealth of information could be obtained on the combustion physics of biofuels from experiments requiring volumes on the order of only nanoliters at a time thus opening the way to evaluating biofuels synthesized by new processes early in development.

02 PETROLEUM↗

DOE OSTI2022

Proper orthogonal decomposition based reduced-order modeling of flux-Limited gray thermal radiation

Here, in this work, a proper orthogonal decomposition (POD) based reduced-order model (ROM) is developed to solve gray, flux-limited thermal radiation diffusion. We focus on the variable opacity radiation penetration benchmark posed by Olson, Auer, and Hall. The T -3 relationship for opacity in conjunction with high-temperature radiation penetrating an initially cold material produces a strong thermal radiation shock. This class of problems is particularly challenging for standard POD-based reduced-order modeling due to the nonlinearities presented by 1) the T 4 source term, and 2) flux-limited diffusion operator. To address these challenges and develop a cost competitive ROM, we employ a “hyper-reduction” technique through discrete empirical interpolation (DEIM) and allow for adaptive reduced-order projections through principal interval decomposition (PID). Performance of the proposed methodology is quantified by comparing the cost savings and accuracy relative to a full-order computation. Reference solutions and snapshot data are obtained through a full-order calculation performed by the University of Chicago maintained astrophysics code, FLASH. For consistency and potential extensibility, the developed ROM is also implemented in FLASH. We find that in the initialization regime, where the thermal radiation wave is initially created by the warming of the material, this class of problems is highly reducible and suitable for POD-based ROMs. However, the strong convective nature of the wave propagation regime is less reducible and more challenging to create an efficient ROM.

42 ENGINEERING↗

DOE OSTI2026

Flying focus with arbitrary directionality for spatiotemporal control of laser intensity

Flying focus techniques produce laser pulses whose focal points travel at arbitrary, controllable velocities. While this flexibility can enhance a broad range of laser-based applications, existing techniques constrain the motion of the focal point to the propagation direction of the pulse. Here, we introduce a flying focus configuration that decouples the motion of the focus from the propagation direction. Here, a chirped laser pulse focused and diffracted by a diffractive lens and grating creates a focal point that can move both along and transverse to the propagation direction. The focal length of the lens, grating period, and chirp can be tuned to control the direction and velocity of the focus. Simulations demonstrate this control for a holographic configuration suited to high-power pulses, in which two off-axis pump beams with different focal lengths encode the equivalent phase of a chromatic lens and grating in a gas or plasma. For low-power pulses, conventional solid-state or adaptive optics can be used instead. Multi-dimensional control over the focal trajectory enables new configurations for applications, including laser wakefield acceleration of ions, nonlinear Thomson scattering, and surface-plasmon emission of THz radiation.

Classical optics↗

DOE OSTI2025

Resonant Slow Extraction Simulation using Bmad

Simulations of slow extraction and transport of charged particle beams from synchrotrons requires careful modeling and experimentation. In this paper, we outline how the Bmad modeling software was adapted and developed to run third-integer resonant extraction simulations of beams at Brookhaven National Laboratory’s Booster synchrotron. Further, we show experimental comparisons of the slowly extracted beams transferred to the NASA Space Radiation Laboratory (NSRL) transport line. In this process, beam passes through a stripping foil element at the extraction point, which, along with stripping remaining electrons from the beam ions, acts as a scatterer to modify the phase space, moving to a more Gaussian-like distribution. This modification to the beam helps generate a uniform beam at the beam line’s target location; which is necessary for the variety of experiments performed at the facility. During this work, beam energy loss and multiple scattering by foil routines were built in conjunction with the Bmad code developers and are now integrated into the software.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Efficient Synthesis and HPLC-Based Characterization for Developing Vanadium-48-Labeled Vanadyl Acetylacetonate as a Novel Cancer Radiotracer for PET Imaging

Bis(acetylacetonato)oxidovanadium(IV) [(VO(acac) 2 ], generally known as vanadyl acetylacetonate, has been shown to be preferentially sequestered in malignant tissue. Vanadium-48 ( 48 V) generated with a compact medical cyclotron has been used to label VO(acac) 2 as a potential radiotracer in positron emission tomography (PET) imaging for the detection of cancer, but requires lengthy synthesis. Current literature protocols for the characterization of VO(acac) 2 require macroscale quantities of reactants and solvents to identify products by color and to enable crystallization that are not readily adaptable to the needs of radiotracer synthesis. We present an improved method to produce vanadium-48-labeled VO(acac) 2 , [ 48 V]VO(acac) 2 , and characterize it using high-performance liquid chromatography (HPLC) with radiation detection in combination with UV detection. The approach is suitable for radiotracer-level quantities of material. These methods are readily applicable for production of [ 48 V]VO(acac) 2 . Preliminary results of preclinical, small-animal PET studies are presented.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2023

Nuclear-Level Effective Theory of 𝜇 → 𝑒 Conversion

The Mu2e and COMET 𝜇 → 𝑒 conversion experiments are expected to significantly advance limits on new sources of charged lepton flavor violation. Almost all theoretical work in the field has focused on just two operators. However, general symmetry arguments lead to a 𝜇 → 𝑒 conversion rate with six response functions, each of which, in principle, is observable by varying nuclear properties of targets. We construct a nucleon-level nonrelativistic effective theory (NRET) to clarify the microscopic origin of these response functions and to relate rate measurements in different targets. This exercise identifies three operators and their small parameters that control the NRET operator expansion. We note inconsistencies in past treatments of these parameters. The NRET is technically challenging, involving 16 operators, several distorted electron partial waves, bound muon upper and lower components, and an exclusive nuclear matrix element. We introduce a trick for treating the electron Coulomb effects accurately, which enables us to include all of these effects while producing transition densities whose one-body matrix elements can be evaluated analytically, greatly simplifying the nuclear physics. We derive bounds on operator coefficients from existing and anticipated 𝜇 → 𝑒 conversion experiments. We discuss how similar NRET formulations have impacted dark matter phenomenology, noting that the tools this community has developed could be adapted for charged lepton flavor violation studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

An Adaptive Dynamic Agrivoltaic Production Tool

In the pursuit of sustainable and land-use-efficient solutions to mitigate climate change, the concept of agrivoltaic systems, which integrate renewable solar energy into conventional agriculture, has emerged. By deploying solar arrays above the crop field, these systems are designed to maximize the land use efficiency or, in other words, the value of generated electricity and crop yield per unit area. While power generation has been extensively studied and modeled, research gaps persist in simulating crop performance [1], [2]. Early studies utilized generalized relationships between photosynthetically active radiation (PAR) and crop production. However, significant variations in crop performance due to other factors, such as weather and soil, can compromise the reliability of the results [2]. Current studies focus on comprehensive process-based crop models, such as DSSAT [3] and STICS [4]. Nevertheless, the validation status varies greatly across different species, and the validation process requires well-designed experiments to adjust specific processes. For less common shade-tolerant crops with limited validation, such as cabbage, physiological behaviors can be difficult to predict [5]. This study investigates an adaptive dynamic agrivoltaic production tool (ADAPT) with few data requirements and minimal on-site calibration that can be easily applied in real applications.

Long, Qirui↗

DOE OSTI2024

Coastal-Urban-Rural Atmospheric Gradient Experiment (CoURAGE) Science Plan

Understanding the mechanisms governing the urban atmospheric environment is critical for informing urban populations regarding the impacts of climate change and associated mitigation and adaptation measures. Earth system (climate and weather) models have not yet been adapted to provide accurate predictions of climate and weather variability within cities, nor do they provide well-tested representations of the impacts of urban systems on the atmospheric environment. These limitations are largely due to limited field data available for testing and development of these models. We will deploy the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s first Mobile Facility (AMF1) to the mid-Atlantic region surrounding the city of Baltimore for the Coast-Urban-Rural Atmospheric Gradient Experiment (CoURAGE). This deployment will create a four-node regional atmospheric observatory network including Baltimore and its three primary surrounding environments – rural, urban, and bay. CoURAGE investigators will study the interactions among the Earth’s surface, the atmospheric boundary layer, aerosols and atmospheric composition, clouds, radiation, and precipitation at each site, and examine how the spatial gradients across the region interact to create the climate conditions in Baltimore. This study will determine the degree to which Baltimore’s atmospheric environment depends on interactive feedbacks in the atmospheric system and the degree to which conditions in Baltimore depend on the surrounding environment. Some topics of interest include how urban land management exacerbates heat waves, the impact of regional mesoscale winds (nocturnal jet, bay breeze) on urban air pollution and cloud cover, and the impact of the urban heat island and aerosol production on heavy precipitation events. Understanding this integrated coast-urban-rural system quantitatively and with good accuracy and precision is critical to informing climate adaptation and mitigation efforts in the city of Baltimore. The understanding gained should be applicable to many similar coastal, mid-latitude urban centers. Another important objective of CoURAGE is to improve the representation of the climate of coastal cities in Earth systems models (ESMs). CoURAGE investigators will use the observations to test current ESMs, identify weaknesses and work towards improved simulations of this complex environment. The ARM core facility will be deployed in the city of Baltimore, complementing the Baltimore Social-Environmental Collaborative (BSEC), a DOE urban integrated field laboratory (UIFL). Ancillary sites will be deployed to rural Maryland northwest of Baltimore, and to the southern end of Kent Island within Chesapeake Bay. The fourth node will be a long-term atmospheric observatory operated in Beltsville, Maryland by Howard University and the Maryland Department of the Environment. Measurements will be conducted for one year, starting in December of 2024. There will be two intensive operational periods (IOPs), one in summer and one in winter, when the ancillary sites will be enhanced with additional balloon launches, tethered balloon system (TBS) operation, and added atmospheric composition measurements.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Progress and R/D challenges for FCC-ee SRF

The FCC-ee machines present a huge challenge for the RF systems, which need to be adapted to very diverse beam conditions going from moderate energy and high current for the Z machine to high energy and low beam current for the ttbar. This inverse scaling results naturally from a fixed budget for the synchrotron radiation, which the SRF cavities need to compensate. A global solution was elaborated for the FCC Conceptual Design Report (Abada in Eur Phys J Spec Top 228):261–623, 2019), and is referred here as the baseline. Recently, further studies have led to a new optimized baseline, still based on traditional elliptical cavities. In parallel, a novel concept, named the Slotted Waveguide ELLiptical (SWELL), was proposed with the potential of greatly simplified logistics and reduced costs. Under several aspects, all these changes call for enhanced performance of the RF systems. A vigorous R&D program has therefore continued since the publication of the CDR, with the aim of pushing the performance and demonstrating the feasibility of a more advanced baseline and, more recently, of the SWELL option. The progress and challenges of this ambitious program were presented in the dedicated SRF sessions at FCC week 2022 and are summarized in this paper.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

BUQEYE guide to projection-based emulators in nuclear physics

The BUQEYE collaboration (Bayesian Uncertainty Quantification: Errors in Your effective field theory) presents a pedagogical introduction to projection-based, reduced-order emulators for applications in low-energy nuclear physics. The term emulator refers here to a fast surrogate model capable of reliably approximating high-fidelity models. As the general tools employed by these emulators are not yet well-known in the nuclear physics community, we discuss variational and Galerkin projection methods, emphasize the benefits of offline-online decompositions, and explore how these concepts lead to emulators for bound and scattering systems that enable fast and accurate calculations using many different model parameter sets. We also point to future extensions and applications of these emulators for nuclear physics, guided by the mature field of model (order) reduction. All examples discussed here and more are available as interactive, open-source Python code so that practitioners can readily adapt projection-based emulators for their own work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Adaptive X-ray imaging with reinforcement learning

X-ray imaging is a powerful technique to scan samples in a variety of contexts including biological, environmental and materials science, but commonly requires a synchrotron light source to produce X-rays at sufficient intensity. As these facilities are expensive to operate, the available beam time is limited and always in high demand. Particularly if the illuminated samples are sparse, standard raster scanning methods can be time-consuming, with a majority of that time being spent on areas of the image that carry little information. To increase the efficiency and maximize the information gain for a given time budget, we split the scanning process into a series of steps where previous measurements are used to inform the decision making and adapt the exposure distribution at later stages of the sequence. We formulate this task as a reinforcement learning problem where the goal is to produce a sequence of exposure maps that maximize a predefined scalar metric. We demonstrate the potential of this approach in simulations where the adaptive illumination can accelerate the measurement process by up to an order of magnitude compared with standard raster scanning. Finally, we present the first results from deploying the trained agents on an X-ray fluorescence beamline at the Stanford Synchrotron Radiation Lightsource.

Reinforcement Learning↗

DOE OSTI2021

Radiation Stability of Mixed Tin-Lead Halide Perovskites: Implications for Space Applications

Mixed organic-inorganic halide perovskite solar cells (PSCs) have received considerable attention in recent years for their impressive solar to electrical power efficiency gains and potentially lower material and processing costs for optoelectronic applications. In addition to terrestrial applications, PSCs are of interest to the space power markets for their low cost, low weight, adaptability to flexible architectures, and tolerance to high energy particle irradiation (mainly protons and electrons). Here we investigate the properties of mixed formamidinium-methylammonium tin-lead iodide (FASn)0.6(MAPb)0.4I3 perovskites which lower the lead content as well as the bandgap, making them attractive for the low bandgap absorber material in tandem PSCs. Through current density-voltage (JV) characterization at lower temperatures, majority carrier transport is hindered and a barrier to photogenerated carrier extraction is evident. This is attributed to the thermally induced change of the bandgap of the absorber layer relative to the energy selective contacts in the device. We find that although the architecture used here hinders the performance at temperatures below 225 K, the tolerance to high energy (3.7 MeV) protons is impressive, considerably out-performing commercially available thin-film CIGS. These results suggest further improvements to structural and interface stability as well as lightweight encapsulation could lead to all perovskite flexible tandem arrays deployed for power generation on missions to low Earth orbit, the moon, Mars, and beyond.

perovskite solar cells↗