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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

TU-AB-BRC-08: Egs-brachy, a Fast and Versatile Monte Carlo Code for Brachytherapy Applications

Purpose: To introduce egs-brachy, a new, fast, and versatile Monte Carlo code for brachytherapy applications. Methods: egs-brachy is an EGSnrc user-code based on the EGSnrc C++ class library (egs++). Complex phantom, applicator, and source model geometries are built using the egs++ geometry module. egs-brachy uses a tracklength estimator to score collision kerma in voxels. Interaction, spectrum, energy fluence, and phase space scoring are also implemented. Phase space sources and particle recycling may be used to improve simulation efficiency. HDR treatments (e.g. stepping source through dwell positions) can be simulated. Standard brachytherapy seeds, as well as electron and miniature x-ray tube sources are fully modelled. Variance reduction techniques for electron source simulations are implemented (Bremsstrahlung cross section enhancement, uniform Bremsstrahlung splitting, and Russian Roulette). TG-43 parameters of seeds are computed and compared to published values. Example simulations of various treatments are carried out on a single 2.5 GHz Intel Xeon E5-2680 v3 processor core. Results: TG-43 parameters calculated with egs-brachy show excellent agreement with published values. Using a phase space source, 2% average statistical uncertainty in the PTV ((2mm){sup 3} voxels) can be achieved in 10 s for 100 {sup 125}I or {sup 103}Pd seeds in a 36.2 cm{sup 3} prostate PTV, 31 s for 64 {sup 103}Pd seeds in a 64 cm{sup 3} breast PTV, and 56 s for a miniature x-ray tube in a 27 cm{sup 3} breast PTV. Comparable uncertainty is reached in 12 s in a (1 mm){sup 3} water voxel 5 mm away from a COMS 16mm eye plaque with 13 {sup 103}Pd seeds. Conclusion: The accuracy of egs-brachy has been demonstrated through benchmarking calculations. Calculation times are sufficiently fast to allow full MC simulations for routine treatment planning for diverse brachytherapy treatments (LDR, HDR, miniature x-ray tube). egs-brachy will be available as free and open-source software to the medical physics research community. This work is partially funded by the Canada Research Chairs program, the Natural Sciences and Engineering Research Council of Canada, and the Ontario Ministry of Research and Innovation (Ontario Early Researcher Award).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Practical and fast quantum random number generation based on photon arrival time relative to external reference

We present a practical high-speed quantum random number generator, where the timing of single-photon detection relative to an external time reference is measured as the raw data. The bias of the raw data can be substantially reduced compared with the previous realizations. The raw random bit rate of our generator can reach 109 Mbps. We develop a model for the generator and evaluate the min-entropy of the raw data. Toeplitz matrix hashing is applied for randomness extraction, after which the final random bits are able to pass the standard randomness tests.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Clocking the formation of today’s largest galaxies: wide field integral spectroscopy of brightest cluster galaxies and their surroundings

ABSTRACT The formation and evolution of local brightest cluster galaxies (BCGs) is investigated by determining the stellar populations and dynamics from the galaxy core, through the outskirts and into the intracluster light (ICL). Integral spectroscopy of 23 BCGs observed out to $4\, r_{e}$ is collected and high signal-to-noise regions are identified. Stellar population synthesis codes are used to determine the age, metallicity, velocity, and velocity dispersion of stars within each region. The ICL spectra are best modelled with populations that are younger and less metal-rich than those of the BCG cores. The average BCG core age of the sample is $\rm 13.3\pm 2.8\, Gyr$ and the average metallicity is $\rm [Fe/H] = 0.30\pm 0.09$, whereas for the ICL the average age is $\rm 9.2\pm 3.5\, Gyr$ and the average metallicity is $\rm [Fe/H] = 0.18\pm 0.16$. The velocity dispersion profile is seen to be rising or flat in most of the sample (17/23), and those with rising values reach the value of the host cluster’s velocity dispersion in several cases. The most extended BCGs are closest to the peak of the cluster’s X-ray luminosity. The results are consistent with the idea that the BCG cores and inner regions formed quickly and long ago, with the outer regions and ICL forming more recently, and continuing to assemble through minor merging. Any recent star formation in the BCGs is a minor component, and is associated with the cluster cool core status.

Edwards, Louise O. V.↗
DOE OSTI2021

Stratigraphic Identification with Airborne Electromagnetic Methods at the Hanford Site, Washington

Stratigraphic units can influence the fate and transport of subsurface contaminants within groundwater. Units having coarse-grained sediments act as preferential flow pathways, and therefore can accelerate the transport of contaminants to reach human and ecological receptors. At legacy waste sites, detailed knowledge of subsurface stratigraphy can be used for effective monitoring and remediation planning to help minimize risk to human health and the environment. Airborne electromagnetic (AEM) methods can non-invasively provide information on kilometer-scale or larger subsurface stratigraphic features and fill informational gaps in directly sampled data from sparsely located boreholes. In this paper, we present inversion results of a 412 line-km frequency-domain AEM survey to delineate subsurface stratigraphic features at the Hanford Site, located in southeastern Washington State. The inversion was performed using a massively parallel 3D electromagnetic modeling and inversion code, where the modeling is based on solving frequency-domain Maxwell’s equations using an unstructured-mesh finite-element method and the inversion employs a Gauss-Newton optimization scheme. The results are compared to an underlying geologic framework model (GFM), built by interpolating contact depths of stratigraphic units interpreted from site borehole datasets. In areas with good borehole coverage, the inversion results show a good match with the GFM to a depth of about 60 m. Outside of these areas, the inversion results exhibit inconsistencies from the assumptions made to create the GFM, demonstrating that the AEM survey results can be used to improve the understanding of the geological conceptual model.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Setting the stage for circumstellar interaction in core-collapse supernovae. II. Wave-driven mass loss in supernova progenitors

Supernovae (SNe) powered by interaction with circumstellar material provide evidence for intense stellar mass loss during the final years before core collapse. We have argued that during and after core neon burning, internal gravity waves excited by core convection can tap into the core fusion power and transport a super-Eddington energy flux out to the stellar envelope, potentially unbinding ∼1 solar mass of material. In this work, we explore the internal conditions of SN progenitors using the MESA one-dimensional stellar evolution code in search of those most susceptible to wave-driven mass loss. We focus on simple, order of magnitude considerations applicable to a wide range of progenitors. Wave-driven mass loss during core neon and oxygen fusion happens preferentially in either lower mass (∼20 solar mass zero-age main sequence) stars or massive, sub-solar metallicity stars. Roughly 20% of the SN progenitors we survey can excite 10{sup 46-48} erg of energy in waves that can potentially drive mass loss within a few months to a decade of core collapse. This energy can generate circumstellar environments with 10{sup –3}-1 solar masses reaching 100 AU before explosion. We predict a correlation between the energy associated with pre-SN mass ejection and the time to core collapse, with the most intense mass loss preferentially occurring closer to core collapse. During silicon burning, wave energy may inflate 10{sup –3}-1 solar masses of the envelope to 10-100 s of solar radii. This suggests that some nominally compact SN progenitors (Type Ibc progenitors) will have a significantly different SN shock breakout signature than traditionally assumed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Dosimetric evaluation of new approaches in GRID therapy using nonconventional radiation sources

Purpose: Spatial fractionation of the dose has proven to be a promising approach to increase the tolerance of healthy tissue, which is the main limitation of radiotherapy. A good example of that is GRID therapy, which has been successfully used in the management of large tumors with low toxicity. The aim of this work is to explore new avenues using nonconventional sources: GRID therapy by using kilovoltage (synchrotron) x-rays, the use of very high-energy electrons, and proton GRID therapy. They share in common the use of the smallest possible grid sizes in order to exploit the dose–volume effects. Methods: Monte Carlo simulations (PENELOPE/PENEASY and GEANT4/GATE codes) were used as a method to study dose distributions resulting from irradiations in different configurations of the three proposed techniques. As figure of merit, percentage (peak and valley) depth dose curves, penumbras, and central peak-to-valley dose ratios (PVDR) were evaluated. As shown in previous biological experiments, high PVDR values are requested for healthy tissue sparing. A superior tumor control may benefit from a lower PVDR. Results: High PVDR values were obtained in the healthy tissue for the three cases studied. When low energy photons are used, the treatment of deep-seated tumors can still be performed with submillimetric grid sizes. Superior PVDR values were reached with the other two approaches in the first centimeters along the beam path. The use of protons has the advantage of delivering a uniform dose distribution in the tumor, while healthy tissue benefits from the spatial fractionation of the dose. In the three evaluated techniques, there is a net reduction in penumbra with respect to radiosurgery. Conclusions: The high PVDR values in the healthy tissue and the use of small grid sizes in the three presented approaches might constitute a promising alternative to treat tumors with such spatially fractionated radiotherapy techniques. The dosimetric results presented here support the interest of performing radiobiology experiments in order to evaluate these new avenues.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

Improved mixed oxide fuel calculations with the evaluated nuclear data library JEFF-3.2

In this study, an overestimation of the keff values for mixed oxide (MOX) fuels was identified with Monte Carlo (TRIPOLI-4) and deterministic (APOLLO2) calculations based on the Joint Evaluated Fission and Fusion (JEFF) evaluated nuclear data library. The overestimation becomes sizeable with Pit aging, reaching a reactivity change of Delta(p)similar or equal to+700 pcm for integral measurements carried out with MOX fuel containing a large amount of americium. This bias was observed for various critical configurations performed in the zero power reactor EOLE of the Commissariat a l'energie atomique et aux energies alternatives (CEA), Cadarache, France. The present work focuses on the improvements achieved with the new 239 PU and 241 Am evaluated nuclear data files available in the latest version of the JEFF library (JEFF-3.2). The resolved resonance range of the plutonium evaluation was reevaluated at Oak Ridge National Laboratory (ORNL), Oak Ridge, Tennessee, with the Ski/NH code in collaboration with CEA Cadarache. The resonance parameters of the americium evaluation were obtained with the REFIT code in collaboration with the research institutes Institute for Reference Materials and Measurements aRmm, Geel, Belgium, and Institut de recherche sur les lois fondamentales de l'Univers ofio, Saclay, France.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Impacts of Recycling Time on Fuel Cycle Transition

The purpose of this work is to show the importance of assumptions regarding the recycling time for time-dependent fuel cycle scenarios that involve transition from the current state of the U.S. fuel cycle to cycles based on continuous recycling via fast reactors. The recycling time is defined here as the total time between when the fuel is discharged from the reactor core and when its recovered heavy metals (HM) are recycled back into the core as part of the fresh/new fuel. The main processes occurring within the recycling time include cooling, separations, and fuel fabrication. The minimum recycling time required for fast reactor fuel largely depends on the minimum cooling time, which will be longer if discharged fuel needs to be moved to a centrally-located separations facility. A longer cooling time is needed for the heat load and fuel characteristics to reach safer levels for handling and transportation. Therefore, if the separation and fabrication facilities were co-located with reactors on-site, then the total recycling time could be reduced by several years. For fuel cycle transition scenarios in which external fissile materials (Pu or TRU) are limiting, these longer recycling times may prolong the transition to the continuous recycling system of fast reactors as well as impact the fuel cycle system performance during the transition. Therefore, in order to demonstrate the quantitative impacts of these recycling time assumptions, an example scenario of transition to the fast reactor fleet with continuous recycle was modeled in the fuel cycle systems code DYMOND. It must be emphasized that this is a point study that demonstrates how a longer recycling time can impact the rate of transition under specific conditions and assumptions. For alternative scenarios, such as those in which there are no fissile material constraints, there are likely no significant impacts due to recycling time. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Elucidating the corrosion mechanism of commercial Ni-based Superalloys in UCl3 containing-chloride Molten Salt Systems

Molten salt reactors (MSRs) have gained renewed interest, providing several advantages over their predecessors, including the capability to consume spent fuels, enhancing the environmental sustainability of the uranium fuel cycle. For example, molten chloride fast reactors (MCFRs) can reach criticality with molten chloride spent fuel containing high concentrations of impurities, such as actinide products like uranium chloride (UCl3). However, the redox potential of chloride molten salt fuels may change in the presence of these impurities, dictating their corrosivity and in turn the corrosion performance of structural components, such as those constructed from nickel (Ni)-based alloys. The purpose of this investigation is to assess the extent of corrosion of Ni-based alloy, Inconel 617, when exposed to UCl3-LiCl-KCl eutectic salt. Inconel 617 one of only six structural materials that are fully qualified by the American Society for Mechanical Engineers (ASME) Boiler and Pressure Vessel Code for high-temperature nuclear reactor components, making it a technologically mature material to consider for constructing MCFRs. Inconel 617 specimens were submerged in a static LiCl-KCl-UCl3 eutectic salt mixture heated at 700 C for 1000 h under an inert atmosphere. Upon completion, the extent of corrosion was analyzed through a multi-modal characterization approach spanning the engineering to nanoscale, employing computed tomography, focused-ion beam, and transmission electron microscopy techniques. Results from this investigation will enhance our understanding of property-to-performance relationships of candidate structural materials for MSRs with respect to corrosion resistance and interactions between the salt and alloy interface.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Microscale THMC Modeling of Pressure Solution in Salt Rock: Impacts of Geometry and Temperature

Abstract Pressure solution, a mechanism that involves tight coupling between the geometry and thermal-hydro-mechanical-chemical (THMC) processes, plays an important role in diagenesis. In this study, we make the first attempt to conduct microscale THMC modeling to understand and quantify the impacts of geometry and temperature on pressure solution, taking natural salt rock as an example. This modeling capability is achieved by expanding a novel MC code that we developed previously (Hu et al. J Geophys Res: Solid Earth 126:e2021JB023112, 2021) to include temperature effects. We first conduct a simulation of an example that involves a single brine inclusion within a single halite grain and find that the temperature impact is limited for that case. We then extract geometry from an image of a natural salt rock and conduct simulations with different cases: (A) only temperature and no stress, (B) only stress and no temperature, and (C) with both stress and temperature. These different cases result in quite different phenomena. In case A, dissolution and precipitation occur across the entire system due to isolated pore space reaching a localized mass balance between dissolution, precipitation, and diffusion. In case B, intense geometric features (e.g., major asperities, inclusions) in one area undergo stress concentration, thus dominating pressure solution in that area. In case C, pressure solution is spread out at contacting highly stressed geometric features close to the hotter side. We conclude that geometric features dominate stress distribution, thus dominating pressure solution in a natural salt rock that may be affected by the temperature if a sufficient temperature gradient is applied.

58 GEOSCIENCES↗
DOE OSTI2017

Triggering Collapse of the Presolar Dense Cloud Core and Injecting Short-lived Radioisotopes with a Shock Wave. V. Nonisothermal Collapse Regime

Recent meteoritical analyses support an initial abundance of the short-lived radioisotope (SLRI) {sup 60}Fe that may be high enough to require nucleosynthesis in a core-collapse supernova, followed by rapid incorporation into primitive meteoritical components, rather than a scenario where such isotopes were inherited from a well-mixed region of a giant molecular cloud polluted by a variety of supernovae remnants and massive star winds. This paper continues to explore the former scenario, by calculating three-dimensional, adaptive mesh refinement, hydrodynamical code (FLASH 2.5) models of the self-gravitational, dynamical collapse of a molecular cloud core that has been struck by a thin shock front with a speed of 40 km s{sup −1}, leading to the injection of shock front matter into the collapsing cloud through the formation of Rayleigh–Taylor fingers at the shock–cloud intersection. These models extend the previous work into the nonisothermal collapse regime using a polytropic approximation to represent compressional heating in the optically thick protostar. The models show that the injection efficiencies of shock front materials are enhanced compared to previous models, which were not carried into the nonisothermal regime, and so did not reach such high densities. The new models, combined with the recent estimates of initial {sup 60}Fe abundances, imply that the supernova triggering and injection scenario remains a plausible explanation for the origin of the SLRIs involved in the formation of our solar system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The HUNTER Dynamic Human Reliability Analysis Tool: Coupling an External Plant Code

The Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) is a framework to support dynamic human reliability analysis (HRA) with the aim to develop standalone software to perform the dynamic HRA calculations. Within the HRA, human actions in nuclear power plants (NPPs) are predicated by plant states, and human actions influence the plant. In other words, plant operations are necessarily recursive, and it becomes challenging to model complex human-plant interactions. Consequently, we have linked two software simulations that complement those shortcomings. RELAP5-3D—the Reactor Excursion and Leak Analysis Program (RELAP; Aumiller, Tomlinson, and Bauer 2001) is the foundational thermal-hydraulic software used to model nuclear systems. Using RELAP5-3D, we have simulated the plant operations proceeding according to procedures developed to address emergent situations in NPPs. Plant operations include various actions such as the operator checking plant parameters, as well as actions that are continuously performed over time until a specific parameter reaches certain criteria. That means that HUNTER and RELAP5-3D exchange information with each other and should be carried out simultaneously over time. To simulate plant operations, which represent the actual operator checks of plant parameters and corresponding manual control actions, changes in plant status are identified through simulation and performed according to the criteria and order of the procedure. Thus, the goal of coupling HUNTER with RELAP5-3D is to facilitate synchronous coupling, where human and plant models provide iterative feedback loops that drive the course of actions. The advantage of coupling with RELAP5-3D to serve as the external environment module in HUNTER is the ability to customize the plant model and streamline for particular model applications. In this paper, we will address the key features of the coupling and the coupling structure built to perform the feedback loops.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

A WISER way for simulating the performance of gratings

Soft X-ray monochromators for synchrotron radiation sources have been continuously developed over the years, improving energy resolution and stability. Great effort has been made in improving the surface quality of the optics involved, reaching values permitting diffraction-limited images. Still, one problem has not been solved, nor fully understood, yet: groove placing errors. Nowadays, these are one of the major factors responsible for resolving the power reduction of diffraction-gratings-based X-ray monochromators. Despite decades of use of gratings, there is not yet a universally established method for predicting and simulating the effect of groove placing errors on monochromator performance. This is especially important in the new scenario of high-coherent X-ray sources, i.e. diffraction-limited storage rings and free-electron lasers. To address this problem, in this article an approach based on WISER (Wavefront propagatIon Simulation codE libRary) is presented. WISER is a physical optics simulation package, also available in the user-friendly Orange Synchrotron Radiation Suite – OASYS. Even though it was originally conceived to assess the focusing performance of X-ray mirrors in the presence of height defects, it perfectly simulates the performance of a periodic (or quasi-periodic) structure like a diffraction grating. In this article, the way to use WISER and its application to a specific case, e.g. the design of a monochromator for the upgrade of a beamline at the Advanced Light Source, are shown. A simple rule for estimating how well the grooves are placed on a grating, based on calculation of the Strehl ratio, is also presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Bonded Bracket Assmebly for Frameless Solar Panels

In February 2011 the US Department of Energy announced their new Sunshot Initiative. The Sunshot goal is to reduce the total cost of solar energy systems by about 75 percent before the end of the decade. The DOE estimated that a total installed cost of $$1 per watt for photovoltaic systems would be equivalent to 5-6¢/kilowatt hour (kWh) for energy available from the grid. The DOE also estimated that to meet the $1 per watt goal, PV module costs would need to be reduced to $ .50 per watt, balance of systems costs would need to be reduced to $.40 per watt, and power electronic costs would need to reach $.10 per watt. To address the BOS balance of systems cost component of the $1 per watt goal, the DOE announced a funding opportunity called (BOS-X) Extreme Balance of System Hardware Cost Reductions. The DOE identified eight areas within the total BOS costs: 1) installation labor, 2) installation materials, 3) installation overhead and profit, 4) tracker, 5) permitting and commissioning, 6) site preparation, 7) land acquisition, 8) sales tax. The BOS-X funding announcement requested applications in four specific topics;Topic 1: Transformational Building Integrated Photovoltaic (BIPV) Modules; Topic 2: Roof and Ground Mount Innovations; Topic 3: Transformational Photovoltaic System Designs; and Topic 4: Development of New Wind Load Codes for PV Systems.The application submitted by ARaymond Tinnerman reflected the requirements listed in Topic #2, Roof and Ground Mount Innovations. The goal of topic #2 was to develop technologies that would result in the extreme reduction of material and labor costs associated with applications that require physical connections and attachments to roof and ground mount structures. The topics researched in this project included component cost reduction, labor reduction, weight reduction, wiring innovations, and alternative material utilization. The project objectives included; 1) The development of an innovative quick snap bracket assembly that would be bonded to frameless PV modules for commercial rooftop installations; 2) The development of a composite pultruded rail to replace traditional racking materials; 3) In partnership with a roofing company, pilot the certification of a commercial roof to be solar panel compliant, eliminating the need for structural analysis and government oversight resulting in significantly decreased permitting costs; and 4) Reduce the sum of all cost impacts in topic #2 from a baseline total of $2.05/watt to $.34/watt.

14 SOLAR ENERGY↗
DOE OSTI2016

Study on Water-ingress Accident during the Initial Core and the Running-in Phase of HTR-PM - 18429

Water ingress accident is one of the typical accidents with potential hazard to the high temperature gas-cooled reactor (HTGR), which will cause reactivity introduction, as well as the chemical corrosion of the graphite fuel elements and reflector structure material. Besides, increase of the primary pressure may result in the opening of the safety valves, consequently leading the release of radioactive isotopes. Therefore high attention has been paid to water ingress phenomenon during the design of the HTGR to verify its inherent safety characteristics. The online continuous discharge and multi-pass of the fuel elements is another important characteristics for the pebble-bed HTGR which can effectively increase the reactor operation availability. From the initial core, a long period of time, namely the running-in phase, is needed to reach the final long-term stable equilibrium core. During this period of time, the core states are totally different, including the number of the fuel elements, the fuel enrichment, the accumulation of the fission product, the temperature feedback coefficient of the reactivity, and so on. In this paper, based on the design of 250 MW Pebble-bed Module High Temperature gas-cooled Reactor (HTR-PM) and a candidate proposal for its initial core and running-in phase, considering three typical states during the running-in phase, the design basis accident of a double-ended guillotine break of one heating tube has been analyzed with the TINTE code, and the results are compared with that of the equilibrium core. Some important parameters during the transient process, including the power, the temperature of the fuel element, the pressure of the primary coolant, as well as the graphite corrosion rate, are studied. To a certain extent, the results can verity the design of the initial core and the running-in phase, and also further prove the safety feature of the HTR. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Impact of the uncertainty in α-captures on {sup 22}Ne on the weak s-process in massive stars

Massive stars at solar metallicity contribute to the production of heavy elements with atomic masses between A = 60 and A = 90 via the so-called weak s-process (which takes place during core He and shell C burning phases). Furthermore, recent studies have shown that rotation boosts the s-process production in massive stars at low metallicities, with a production that may reach the barium neutron-magic peak. These results are very sensitive to neutron source and neutron poison reaction rates. For the weak s-process, the main neutron source is the reaction {sup 22}Ne(α,n){sup 25}Mg, which is in competition with {sup 22}Ne(α,γ){sup 26}Mg. The uncertainty of both rates strongly affects the nucleosynthesis predictions from stellar model calculations. In this study, we investigate the impact of the uncertainty in α-captures on {sup 22}Ne on the s-process nucleosynthesis in massive stars both at solar and at very low metallicity. For this purpose, we post-process, with the Nugrid mppnp code, non-rotating and rotating evolutionary models 25M{sub ⊙} stars at two different metallicities: Z = Z{sub ⊙} and Z = 10{sup −5}Z{sub ⊙}, respectively. Our results show that uncertainty of {sup 22}Ne(α,n){sup 25}Mg and {sup 22}Ne(α,γ){sup 26}Mg rates have a significant impact on the final elemental production especially for metal poor rotating models. Beside uncertainties in the neutron source reactions, for fast rotating massive stars at low metallicity we revisit the impact of the neutron poisoning effect by the reaction chain {sup 16}O(n,γ){sup 17}O(α,γ){sup 21}Ne, in competition with the {sup 17}O(α,n){sup 20}Ne, recycling the neutrons captured by {sup 16}O.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Collective mode Brownian dynamics: A method for fast relaxation of statistical ensembles

Sampling equilibrium configurations of correlated systems of particles with long relaxation times (e.g., polymeric solutions) using conventional molecular dynamics and Monte Carlo methods can be challenging. This is especially true for systems with complicated, extended bond network topologies and other interactions that make the use and design of specialized relaxation protocols infeasible. We introduce a method based on Brownian dynamics simulations that can reduce the computational time it takes to reach equilibrium and draw decorrelated samples. Importantly, the method is completely agnostic to the particle configuration and the specifics of interparticle forces. In particular, we develop a mobility matrix that excites non-local, collective motion of N particles and can be computed efficiently in $\mathcal{O}(N)$ time. Particle motion in this scheme is computed by integrating the overdamped Langevin equation with an Euler–Maruyama scheme, in which Brownian displacements are drawn efficiently using a low-rank representation of the mobility matrix in position and wave space. We demonstrate the efficacy of the method with various examples from the realm of soft condensed matter and release a massively parallel implementation of the code as a plugin for the open-source package HOOMD-blue [J. A. Anderson et al., J. Comput. Phys. 227, 5342 (2008) and J. Glaser et al., Comput. Phys. Commun. 192, 97 (2015)] which runs on graphics processing units

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dynamical Aspects of the Quark Gluon Plasma

Shortly after the Big Bang the entire universe was filled with a nearly perfect fluid known as the Quark Gluon Plasma. Relativistic heavy ion collisions can now reproduce this fluid in the laboratory where the Quark Gluon Plasma exhibits a rapid but smooth cross-over phase transition into hadrons at vanishing net-baryon densities. Recent experiments plan to explore finite baryon densities where a critical point is expected. If found, this would mark the first discovery of a critical point in a relativistic system described by a fundamental theory of nature, which would have far-reaching consequences for high-energy nuclear physics and nuclear astrophysics (such as in neutron star mergers). Characteristic temperatures of equilibrium (e.g. the inflection point of the entropy density) and transport coefficients (e.g. minimum of the shear viscosity over entropy density) vary widely at a cross-over phase transition but converge at a critical point, and extracting the behavior of these characteristic temperatures is a major focal point of this research. Specifically, the interplay between strange and light hadrons is exploited to study the flavor hierarchy in the cross-over region. To investigate this, a viscous relativistic hydrodynamics framework with two conserved charges is being developed into a new open-source code along with initial conditions that contain baryon number and strangeness. Flow observables sensitive to the equation of state and transport coefficients are calculated across beam energies. New techniques are being developed to study this flavor hierarchy from first principles and to extract the characteristic temperatures from experimental data. Through this new dynamical framework, this project provides essential guidance to the Beam Energy Scan II runs at Relativistic Heavy-Ion Collider and the future Facility for Antiproton and Ion Research facility in the search for the Quantum Chromodynamic critical point and subsequent investigation of the baryon-rich Quark Gluon Plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗