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At least 289 records · Page 16

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DOE OSTI2020

Simulation of Particle-Material Interactions

This paper gives an overview of the particle transport theory essentials, the basics of particle-material interaction simulation, physical quantities needed to simulate particle transport and interactions in materials, Monte Carlo simulation flow, response of additive detectors, statistical weights and other techniques to minimize statistical errors. Effects in materials under irradiation, materials response related to component lifetime and performance are considered with a focus on high-energy and high-power accelerator applications. Implementation of simulation of particle-material interactions in the modern Monte Carlo codes along with the code s main features and results of recent benchmarking are described.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Elevated Temperature Effects on Protein Turnover Dynamics in Arabidopsis thaliana Seedlings Revealed by 15 N-Stable Isotope Labeling and ProteinTurnover Algorithm

Global warming poses a threat to plant survival, impacting growth and agricultural yield. Protein turnover, a critical regulatory mechanism balancing protein synthesis and degradation, is crucial for the cellular response to environmental changes. We investigated the effects of elevated temperature on proteome dynamics in Arabidopsis thaliana seedlings using 15 N-stable isotope labeling and ultra-performance liquid chromatography-high resolution mass spectrometry, coupled with the ProteinTurnover algorithm. Analyzing different cellular fractions from plants grown under 22 °C and 30 °C growth conditions, we found significant changes in the turnover rates of 571 proteins, with a median 1.4-fold increase, indicating accelerated protein dynamics under thermal stress. Notably, soluble root fraction proteins exhibited smaller turnover changes, suggesting tissue-specific adaptations. Significant turnover alterations occurred with redox signaling, stress response, protein folding, secondary metabolism, and photorespiration, indicating complex responses enhancing plant thermal resilience. Conversely, proteins involved in carbohydrate metabolism and mitochondrial ATP synthesis showed minimal changes, highlighting their stability. This analysis highlights the intricate balance between proteome stability and adaptability, advancing our understanding of plant responses to heat stress and supporting the development of improved thermotolerant crops.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

The Atlantic Meridional Overturning Circulation’s Response to CO2 Increase: Assessing the Roles of Surface Flux and Oceanic Advection Feedbacks

Abstract The Atlantic meridional overturning circulation (AMOC) is projected to slow down in climate models due to greenhouse gas emissions. However, the physical mechanisms determining the rate of the projected AMOC slowdown remain unclear. Accordingly, this study isolates the roles of oceanic advection and surface flux feedbacks that might accelerate or decelerate the AMOC’s weakening using carbon dioxide (CO 2 ) quadrupling simulations in the CESM1.2 model. Surface flux feedbacks are isolated in partially coupled experiments in which either all surface flux components or the momentum flux responses to AMOC’s weakening that might provide feedback are suppressed, while a tracer decomposition of ocean density anomalies isolates the advection feedbacks. Comparing the ocean density components in the experiments shows that the AMOC’s response is initially determined by CO 2 -induced anomalous surface heat fluxes, and afterward, feedbacks determine its response. In the fully coupled case, surface heat flux feedback strongly promotes AMOC slowdown and causes its near shutdown, while a weaker but active AMOC is maintained when the surface flux feedback is inhibited in the partially coupled case. The positive surface heat flux feedback works by canceling out the negative oceanic heat advection feedback on deep-water formation in the subpolar North Atlantic (SPNA). With the heat advection feedback thus reduced, the positive salinity advection feedback becomes the dominant contributor to SPNA density changes and deep-water formation. In the partially coupled case, negative ocean heat advection feedback and the CO 2 -induced subtropical Atlantic saline anomalies imported into the SPNA play a stabilizing role. The results highlight the importance of SPNA salinity gradients and gyre circulation strength in determining the AMOC’s response rate or recovery.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Accelerating resonant spectroscopy simulations using multishifted biconjugate gradient

Resonant spectroscopies, which involve intermediate states with finite lifetimes, provide important insights into collective excitations in quantum materials that are otherwise inaccessible. However, theoretical understanding in this area is often limited by the numerical challenges of solving Kramers-Heisenberg-type response functions for large-scale systems. To address this, we introduce a multishifted biconjugate gradient algorithm that exploits the shared structure of Krylov subspaces across spectra with varying incident energies, effectively reducing the computational complexity to that of linear spectroscopies. Both mathematical proofs and numerical benchmarks confirm that this algorithm substantially accelerates spectral simulations, achieving constant complexity independent of the number of incident energies, while ensuring accuracy and stability. This development provides a scalable, versatile framework for simulating advanced spectroscopies in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Drying of tundra landscapes will limit subsidence-induced acceleration of permafrost thaw

We used a model for permafrost hydrology informed by detailed measurements of soil ice content to better understand the potential risk of abrupt permafrost thaw triggered by melting ground ice, a key open question associated with permafrost response to a warming Arctic. Our spatially resolved simulations of a well-characterized site in polygonal tundra near Utqiaġvik, Alaska, agree well with multiple types of observations in the current climate. Projections indicate 63 cm of bulk subsidence from 2006 to 2100 in the strong-warming Representative Concentration Pathway 8.5 climate. Permafrost thaw as measured by the increase in active layer thickness (ALT)—the thickness of the soil layer that thaws each summer—is accelerated by subsidence, but the effect is relatively small. The ALT increases from the current-day value of approximately 50 cm to approximately 180 cm by 2100 when subsidence is included compared to about 160 cm when it is neglected. In these simulations, previously identified positive feedbacks between subsidence and thaw are self-limiting on decadal time frames because landscape runoff and increasing evapotranspiration result in drier tundra with weaker surface/atmosphere coupling. These results for a tundra site that is representative of large swathes of the Alaska North Slope suggest that subsidence is unlikely to lead to abrupt thaw over large areas. However, subsidence does have significant effects on the hydrology of polygonal tundra. Specifically, subsidence increases landscape runoff, which helps maintain streamflow in the face of increased evapotranspiration but also causes drier tundra conditions that could have deleterious effects on sensitive Arctic wetland ecosystems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Beam optics design of a prototype 20 kW conduction-cooled SRF accelerator for medical sterilization

Superconducting technology has significantly advanced the capabilities of particle accelerators, facilitating higher beam-power operations for fundamental research at a comparatively lower cost. However, the conventional implementation of superconducting technology introduces complexities in the form of cryogenic plants, cryogenic distribution systems and substantial construction and operational cost. In response to these challenges, recent research efforts at Fermilab have been dedicated to the development of a cryogen-free, conduction-cooled Nb3Sn-based superconducting technology. This paper outlines the beam optics design of a 20-kW conduction-cooled compact superconducting accelerator for medical sterilization. The paper reviews both the physics and practical constraints associated with high beam-power operation within the context of industrial applications. The focus is on providing insights into the potential of this innovative technology to overcome existing challenges and pave the way for more accessible and efficient industrial particle accelerators.

Saini, A. [Fermilab]↗

DOE OSTI2024

Beam Optics Design of A Prototype 20 kW Conduction-Cooled SRF Accelerator for Medical Sterilization

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Beam Optics Design of a Prototype 20 KW Conduction-cooled SRF Accelerator for Medical Sterilization

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Design of the Electromagnetic Particle Injector (EPI) for Tokamak Deployment

Both predicting and controlling disruptions are critical and urgent issues for ITER as some disruptions with a short warning time may be unavoidable. For these cases, a rapid response disruption mitigation system (DMS) referred to as the electromagnetic particle injector (EPI) is being developed. The primary advantages of the EPI are its fast response time and high velocity, which have been demonstrated in offline experiments (Raman et al., 2021). The EPI is capable of accelerating a metallic sabot electromagnetically using a rail gun to the required velocities ( > 2 km/s) within 2 ms. Two high-field racetrack magnets able to generate fields over 2 T are positioned above and below the rails to permit high velocity at low rail currents, a requirement to minimize electrode erosion. At the end of the acceleration phase, a sabot capture mechanism retains the spent sabot inside the vacuum chamber that houses the EPI. At this point, it releases well-defined microspheres, or a shell pellet, of a radiative payload into the disrupting plasma. A remotely operated sabot loading system positioned behind the injector contains several pre-equipped sabots that can be loaded by an operator from the tokamak control room. The injector is interfaced to the tokamak through a guide tube attached to the front of the EPI vacuum chamber. Finally, the advantages of the EPI system over other DMSs under consideration are described in conjunction with the details of an EPI system designed for near-term test on an existing large tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

High-Strain Rate Spall Strength Measurement for CoCrFeMnNi High-Entropy Alloy

In this study, we experimentally investigate the high stain rate and spall behavior of Cantor high-entropy alloy (HEA), CoCrFeMnNi. First, the Hugoniot equations of state (EOS) for the samples are determined using laser-driven CoCrFeMnNi flyers launched into known Lithium Fluoride (LiF) windows. Photon Doppler Velocimetry (PDV) recordings of the velocity profiles find the EOS coefficients using an impedance mismatch technique. Following this set of measurements, laser-driven aluminum flyer plates are accelerated to velocities of 0.5–1.0 km/s using a high-energy pulse laser. Upon impact with CoCrFeMnNi samples, the shock response is found through PDV measurements of the free surface velocities. From this second set of measurements, the spall strength of the alloy is found for pressures up to 5 GPa and strain rates in excess of 106 s−1. Further analysis of the failure mechanisms behind the spallation is conducted using fractography revealing the occurrence of ductile fracture at voids presumed to be caused by chromium oxide deposits created during the manufacturing process.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Dynamic System Scaling Application to Accelerated Nuclear Fuel Testing

The development of nuclear fuel and materials requires a continuous effort to investigate the acute and prolonged effects of irradiation, thermal-material stress, chemical change, or other conceivable damage mechanics acquired during normal operation or accident scenarios throughout its lifetime. As in-core fuel property measurement techniques advance to support in the real-time, non-invasive, and enhanced accuracy realm, it is the future of fuel development to pursue to higher degrees of control, predictability of integral test behavior via separate effects test (SET), and shorter test time intervals. The fuel development life cycle from initial concept to commercial licensing is approximated to be 20 years and current literature suggests by optimizing fuel performance codes with SETs, the process could possibly be compressed to 5 to 10 years. Recently, a research group in the Idaho National Laboratory (INL) is testing reduced scale fuel rods and increased power density to accelerate evolution of fuel phenomena in metallic fuels. In support of nuclear fuel rod development, compressing fuel test process, and accelerating fuel phenomena, it was the purpose of this study to investigate nuclear fuel performance phenomena via literature review and effectively scale the initial conditions, boundary conditions, and geometric properties to describe the time-dependent response including to fuel burnup, thermal and mechanical stress, transmutations and inter-diffusion, and other relevant observed phenomena. The study was based on BISON simulations of historic EBR-II metallic fuel experiments and Dynamical System Scaling (DSS) method are utilized to assess effects of scaling activity including fuel phenomena acceleration and calculations of time-dependent distortions. The research successfully scaled metallic fuel phenomena, accelerated fuel testing, and assessed the distortions for each scaled case derived.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Performance-based earthquake early warning for tall buildings

The ShakeAlert Earthquake Early Warning (EEW) system aims to issue an advance warning to residents on the West Coast of the United States seconds before the ground shaking arrives, if the expected ground shaking exceeds a certain threshold. However, residents in tall buildings may experience much greater motion due to the dynamic response of the buildings. Therefore, there is an ongoing effort to extend ShakeAlert to include the contribution of building response to provide a more accurate estimation of the expected shaking intensity for tall buildings. Currently, the supposedly ideal solution of analyzing detailed finite element models of buildings under predicted ground-motion time histories is not theoretically or practically feasible. The authors have recently investigated existing simple methods to estimate peak floor acceleration (PFA) and determined these simple formulas are not practically suitable. Instead, this article explores another approach by extending the Pacific Earthquake Engineering Research Center (PEER) performance-based earthquake engineering (PBEE) to EEW, considering that every component involved in building response prediction is uncertain in the EEW scenario. Additionally, while this idea is not new and has been proposed by other researchers, it has two shortcomings: (1) the simple beam model used for response prediction is prone to modeling uncertainty, which has not been quantified, and (2) the ground motions used for probabilistic demand models are not suitable for EEW applications. In this article, we address these two issues by incorporating modeling errors into the parameters of the beam model and using a new set of ground motions, respectively. We demonstrate how this approach could practically work using data from a 52-story building in downtown Los Angeles. Using the criteria and thresholds employed by previous researchers, we show that if peak ground acceleration (PGA) is accurately estimated, this approach can predict the expected level of human comfort in tall buildings.

58 GEOSCIENCES↗

DOE OSTI2025

Investigating the FLASH Effect in a Rat Brain Organotypic Model With a Novel High-Energy Electron Beam

Ultrahigh dose rate (FLASH) radiation therapy is reported to reduce normal tissue toxicity while maintaining tumor control; however, mechanism(s) remain obscure. To study FLASH mechanisms in brain tissue, we developed a novel experimental platform featuring a specialized high-energy electron linear accelerator, High Intensity Gamma Ray Source (HIGS), paired with an organotypic ex vivo brain metastasis model. We varied interpulse spacing to modulate the mean dose rate (MDR) of our unique 35 MeV electron beam, while maintaining extremely high instantaneous dose rate (IDR). We characterized dosimetry and targeting accuracy of the FLASH beam with film dosimetry. We combined this FLASH beam with an organotypic rat brain slice/breast carcinoma coculture model of brain metastasis to assess effects on normal and neoplastic tissues. Live-cell and bioluminescence imaging demonstrated cancer cell growth effects, whereas normal tissue responses and immune activation were assessed using live-cell imaging, cytokine profiles, and confocal microscopy. Here, we performed comparison experiments with 20 MeV electrons from a Varian clinical linear accelerator (VCLA) using conventional dose rates. The highest IDR of the FLASH beam to date was 20.7 ± 0.6 MGy/s, with maximum MDR of 20.7 MGy/s delivered in 1 pulse of 1 µs duration. Beam targeting was accurate to <1 mm and reproducible. HIGS-FLASH and VCLA dose rates equivalently decreased cancer cell growth. HIGS-FLASH irradiation significantly increased tumor necrosis factor α and fractalkine levels and confocal microscopy revealed distinct changes in microglial morphology slices suggesting microglia activation. Our novel experimental platform produces extremely high dose rates and rapid normal/neoplastic tissue readouts for mechanistic research into the effects of FLASH radiation in the brain. HIGS-FLASH irradiation induces comparable cancer cell growth inhibition but differential effects on cytokines and microglial morphology, suggesting that acute innate immune responses may be involved in FLASH normal tissue effects in the brain.

Kay, Tyler V. [Duke University, Durham, NC (United↗

DOE OSTI2020

Stimulation of Insect Herbivory by Elevated Temperature Outweighs Protection by the Jasmonate Pathway

Rising global temperatures are associated with increases in the geographic range, population size, and feeding voracity of insect herbivores. Although it is well established that the plant hormone jasmonate (JA) promotes durable resistance to many ectothermic herbivores, little is known about how JA-mediated defense is influenced by rising temperatures. Here, we used the Arabidopsis-Trichoplusia ni (cabbage looper) interaction to investigate the relative contribution of JA and elevated temperature to host resistance. Video monitoring of T. ni larval behavior showed that elevated temperature greatly enhanced defoliation by increasing the bite rate and total time spent feeding, whereas loss of resistance in a JA-deficient mutant did not strongly affect these behaviors. The acceleration of insect feeding at elevated temperature was not attributed to decreases in wound-induced JA biosynthesis, expression of JA-responsive genes, or the accumulation of defensive glucosinolates prior to insect challenge. Quantitative proteomic analysis of insect frass, however, provided evidence for a temperature-dependent increase in the production of T. ni digestive enzymes. Our results demonstrate that temperature-driven stimulation of T. ni feeding outweighs the protective effects of JA-mediated resistance in Arabidopsis, thus highlighting a potential threat to plant resilience in a warming world.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Necromass responses to warming: A faster microbial turnover in favor of soil carbon stabilisation

Microbial byproducts and residues (hereafter ‘necromass’) potentially play the most critical role in soil organic carbon (SOC) sequestration. However, little is known about the influence of climate warming on necromass accumulation in the agroecosystem and the underlying mechanisms associated with microbial life strategies. Here, in order to address these knowledge gaps, we used amino sugars as biomarkers of microbial necromass, and investigated their variation through an 8-year trial in an agroecosystem with two warming levels (+1.6 and + 3.2 °C) compared to ambient temperature. The results showed that the lower warming level had no impact on total microbial necromass carbon. Conversely, warming the soil 3.2 °C above ambient increased total microbial necromass by 17 % and its contribution to SOC by 21.3 %, mainly by increasing fungal necromass (+19.8 %), whereas +3.2 °C warming had no impact on bacterial necromass. At the phylum level, compared with the ambient control, +3.2 °C warming induced an increase in the abundance of Proteobacteria and a decrease in both Acidobacteria and Actinobacteria, whereas in the fungal community, Ascomycota increased and Mortierellomycota decreased. This indicates that r-strategists outcompete K-strategists in warmer climates, which led to increased microbial necromass production and accumulation, as supported by the positive correlation between r-strategists and microbial necromass. Stronger microbial competition for resources also resulted in a higher biomass turnover rate, greater cell death, and greater production of microbial necromass. This was supported by the lower bacterial and fungal network complexity and trophic links under warming conditions. In addition, the necromass generated from accelerated microbial turnover further offsets warming-induced deceases in microbial biomass. Consequently, bulk SOC did not change, despite microbial necromass having a much greater response to warming than the soil C pool. Therefore, future climate warming may influence the composition and persistence of SOC during microbial degradation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Effects of surface vacancy-adatom pair formation on PFC tungsten surface morphological response

Abstract We report a simulation study of the effect of He-irradiation-induced surface vacancy-adatom pair formation on the surface morphological evolution of plasma-facing component (PFC) tungsten and examine a number of factors that impact such evolution. Our analysis is based on self-consistent dynamical simulations according to an atomistically-informed, continuum-scale surface evolution model that has been developed following a hierarchical multiscale modeling strategy and can access the spatiotemporal scales of relevance to fuzz formation. The model accounts for the flux of surface adatoms generated as a result of the surface vacancy-adatom pair formation effect upon He implantation, which contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. We have carried out atomic-scale computations of optimal diffusion pathways along and across island step edges on the W(110) surface and calculated Ehrlich–Schwoebel (ES) barriers in adatom diffusion along and across such step edges. This aspect of surface adatom diffusion contributes to anisotropic surface atomic fluxes, terrace and step diffusive currents, and has been incorporated into our PFC surface evolution model, which predicts the formation of preferentially aligned nanoridge stripe patterns on the PFC surface. We establish that these anisotropic diffusive currents accelerate nanotendril growth on the PFC surface and the onset of surface nanostructure pattern formation. We also explore systematically the dependence of the PFC surface morphological response on the surface temperature and He ion incident flux, characterize in detail the resulting surface topographies and growth kinetics, and compare the predicted surface morphologies with experimental observations. Our simulation predictions for the emerging surface nanostructure patterns under certain plasma exposure conditions are consistent with experimental findings in the literature.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Total X-ray scattering and big-box modeling of pressure-induced local disorder and partial amorphization in CsPbBr 3

The mechanisms governing pressure-induced amorphization and its reversibility in halide perovskites are not yet fully understood, particularly the contribution of local disorder. We performed high-pressure synchrotron total X-ray scattering and reverse Monte Carlo (RMC) big-box modeling using CsPbBr 3 as a model system to investigate short-range structural evolution in both the ordered and partially amorphous phases. While diffraction data indicate that long-range order persists up to 2 GPa, pair distribution function (PDF) analysis reveals significant local distortions, including PbBr 6 octahedral tilting and Cs displacement, which influence the bandgap through a complex interplay between bond compression and angular tilting. Beyond 2 GPa, CsPbBr 3 undergoes partial amorphization, with significant disordering of Cs and Br, while the Pb sublattice remains preserved, allowing for structural recovery upon decompression. Our work, accounting for both short- and long-range structural evolution through RMC modeling, successfully captures how disorder shapes the structural response of halide perovskites under pressure.

critical phenomena↗

DOE OSTI2023

Elevated temperature alters microbial communities, but not decomposition rates, during 3 years of in situ peat decomposition

ABSTRACT Peatlands are large carbon sinks with primary production outpacing decomposition of organic matter. Results from the S pruce and P eatland R esponses U nder C hanging E nvironments (SPRUCE) study show net losses of organic matter and increased greenhouse gas production from peatlands in response to whole-ecosystem warming. Here, we investigated how warming and elevated CO 2 impact peat microbial communities and peat soil decomposition rates and characterized microbial communities through amplicon sequencing and compositional changes across four depth increments. Microbial diversity and community composition were significantly impacted by soil depth, temperature, and CO 2 treatment. Bacterial/archaeal α-diversity increased significantly with increasing temperature, and fungal α-diversity was lower under elevated CO 2 treatments. Trans domain microbial networks showed higher complexity of microbial communities in decomposition ladder depths from the warmed enclosures, and the number of highly connected hub taxa within the networks was positively correlated with temperature. Methanogenic hubs were identified in the networks constructed from the warmest enclosures, indicating increased importance of methanogenesis in response to warming. Microbial community responses were not however reflected in measures of peat soil decomposition, as warming and elevated CO 2 had no significant short-term effects on soil mass loss or composition. Regardless of treatment, on average only 4.5% of the original soil mass was lost after 3 years and variation between replicates was high, potentially masking treatment effects. Previous results at the SPRUCE experiment have shown warming is accelerating organic-matter decomposition and CO 2 and CH 4 production, and our results suggest these changes may be driven by warming-induced shifts in microbial communities. IMPORTANCE Microbial community changes in response to climate change drivers have the potential to alter the trajectory of important ecosystem functions. In this paper, we show that while microbial communities in peatland systems responded to manipulations of temperature and CO 2 concentrations, these changes were not associated with similar responses in peat decomposition rates over 3 years. It is unclear however from our current studies whether this functional resiliency over 3 years will continue over the longer time scales relevant to peatland ecosystem functions.

54 ENVIRONMENTAL SCIENCES↗