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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assessment and validation of NEAMS tools for high-fidelity multiphysics transient modeling of microreactors: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The NEAMS Multiphysics Applications team aims at providing assessment of code useability and functionality for microreactor design and analyses, together with demonstration of their capabilities to properly capture the steady-state and time-dependent behavior of different microreactor concepts. In FY-24, significant progress was achieved in improving multi-physics models of several microreactors systems: HP-MR, GC-MR and KRUSTY. These efforts focused on solving more complex multiphysics problems enabled by enhanced tools capability, verifying and validating results obtained, providing feedback to developers for suggested improvements, and sharing these models to facilitate user training. A series of new multiphysics transients were completed on the HP-MR (using Griffin/BISON/Sockeye) with core startup transient, control drum inadvertent rotation accident, and hydrogen leakage from hydride moderator (also including SWIFT). On the GC-MR, a new full-core model was developed and analyzed through a series of new multiphysics (Griffin/BISON/SAM) transients to simulate moderator leakage (also including SWIFT), flow blockage and coolant depressurization. Additional and updated TRISO failure analyses were completed on the HP-MR unit-cell and GC-MR assembly models leveraging improved TRISO modeling capabilities. The amount of SiC failure following accidental transients at end-of-life was null. However, GC-MR assembly TRISO analysis highlighted Pd penetration rate can be problematic and may require design changes on the studied microreactor concept. The neutronics discrepancies observed on the KRUSTY model in previous years were resolved using hybrid set of Monte Carlo/Deterministic cross-sections. The multiphysics (Griffin neutronics / BISON thermal-mechanics) 15₵ insertion transient simulation displayed good agreement when comparing with experimental data. Initial modeling of the 30 ₵ reactivity insertion also displays promising results. Such close agreement provides important validation data that can be leveraged by the NEAMS program and by microreactor vendors to support licensing of their technology. Finally, important experience was gathered with the NEAMS tools leading to several user feedback shared with tools developers, especially with regards to MOOSE mesh generator and Griffin. This project led to many publications demonstrating modeling capabilities, and to three models shared on the Virtual Test Bed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Hybrid Modeling of Three-Phase Grid-Supporting Inverters for Dynamic Studies

Grid technologies connected by power electronic converter (PEC) interfaces continually implement grid support functions mandated by grid codes and standards. The transition to converter-based generation demands precise PEC models to assess system dynamics, which have been previously overlooked in conventional power systems. This study proposes a hybrid method for analyzing grid-connected three-phase PEC dynamics with the IEEE standard 1547-2018 Volt-VAr mode that combines physics and data-driven techniques. The physics model reflects the PEC’s internal behavior, whereas the data-driven modeling technique evaluates the grid-supporting capabilities of the smart PEC. The system identification approach is used to generate dynamic PEC models based on changing grid voltage and measured current injected into the grid by the PEC. In the Volt-VAr support mode, a detailed topological model including switches is utilized to compare the goodness-of-fit of the extracted hybrid dynamic model. The results demonstrate that the hybrid PEC model in the Volt-VAr mode accurately matches the dynamics with the topological model.

Subedi, Sunil↗
DOE OSTI2020

Studies on small charge packet transport in high-resistivity fully-depleted CCDs

In this work, we will present a physical model and measurements of the transport of small charge packets in the bulk of thick high resistivity CCD before being collected by the pixel potential wells. A new technique to measure the lateral spread of the charge as a function of the ionization depth in the bulk is presented. Results from measurements on CCD currently in use for several scientific instruments are shown and validated with a new mathematical algorithm to extend the current modeling based only on the diffusion of the charge in silicon.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Polarized Resonant X-ray Scattering to Measure Molecular Orientation and Conformation in Organic Nanostructures

The ordering of organic (carbon-based) molecules into nanostructures drives useful materials properties for applications such as organic light emitting diodes, flexible batteries, and polymer nanocarriers. However, there is a current lack of techniques to measure this ordering. X-ray scattering techniques involving molecular resonances have shown promise in identifying molecular types, locations, and orientation. However, resonant soft X-ray scattering (RSoXS) techniques have not been developed even lacking basic optical models. The objectives achieved by this research were the development of methods, models, and analysis techniques that harness these resonant phenomena in X-ray scattering measurements to quantitatively probe ordering of organic molecules within devices and nanostructures. This award resulted in 11 peer reviewed publications with two others soon to be submitted. New physical models for X-ray scattering that accurately describe these complex molecular resonances enable measurements of how molecules assemble, orient and conform at the nanometer scale. These new techniques were applied to both organic electronic devices and aqueous nanoparticles being developed for hydrocarbon sequestration. This new measurement capability will enable characterization of structure-property relationships that lead to disruptive technologies of printable, stretchable, and biocompatible devices based on organic materials.

14 SOLAR ENERGY↗
NASA NTRS1987

Space Station/Shuttle Orbiter dynamics during docking

Mathematical models of a reference space station configuration (Power Tower) and a Space Shuttle Orbiter are developed and used to study the dynamic behavior of the Space Station/Orbiter system just prior to and subsequent to an impulsive docking of the two spacecraft. The physical model of the space station is a collection of rigid and flexible bodies. The orbiter is modeled as a rigid body. An algorithm developed for use in digitally simulating the dynamics of the system is described and results of its application are presented.

Fitz-Coy, N. G.↗
NASA NTRS1996

Analysis of Drift Errors in the JPL/UCLA Micromachined Gyroscope

The model of the JPL/UCLA micromachined vibratory gyroscope will be enhanced to include time varying effects. First, they will be shown to exist through trends in the experimental results. Causes of mechanical error will be further explained by analyzing possible perturbations to the physical model.

coriolois force gyroscope gyroscope design gyrosco↗
NASA NTRS2013

Can Fractional Crystallization of a Lunar Magma Ocean Produce the Lunar Crust?

New techniques enable the study of Apollo samples and lunar meteorites in unprecedented detail, and recent orbital spectral data reveal more about the lunar farside than ever before, raising new questions about the supposed simplicity of lunar geology. Nevertheless, crystallization of a global-scale magma ocean remains the best model to account for known lunar lithologies. Crystallization of a lunar magma ocean (LMO) is modeled to proceed by two end-member processes - fractional crystallization from (mostly) the bottom up, or initial equilibrium crystallization as the magma is vigorously convecting and crystals remain entrained, followed by crystal settling and a final period of fractional crystallization [1]. Physical models of magma viscosity and convection at this scale suggest that both processes are possible. We have been carrying out high-fidelity experimental simulations of LMO crystallization using two bulk compositions that can be regarded as end-members in the likely relevant range: Taylor Whole Moon (TWM) [2] and Lunar Primitive Upper Mantle (LPUM) [3]. TWM is enriched in refractory elements by 1.5 times relative to Earth, whereas LPUM is similar to the terrestrial primitive upper mantle, with adjustments made for the depletion of volatile alkalis observed on the Moon. Here we extend our earlier equilibrium-crystallization experiments [4] with runs simulating full fractional crystallization

Rapp, Jennifer F.↗
DOE OSTI2026

Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)

In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.

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

Phase field-volumetric lattice Boltzmann model of ion uptake in porous nuclear waste form materials under continuous flow

The flow field within the mesopores of sorbent particles plays a crucial role in radionuclide diffusion and ion uptake kinetics, thus, impacting the overall performance of porous nuclear waste form materials. To fundamentally understand the influence of microstructures and material properties on the radionuclide absorption and retention processes requires a coupled multi-physics model that considers the advection and diffusion within the flow field, the reaction at liquid-solid interfaces, and finally, the solid-state diffusion within a complex nanoporous medium. Here, this study employs the volumetric lattice Boltzmann method (VLBM) to accurately and efficiently calculate the steady state velocity field inside the mesopores of sorbent particles. The obtained velocity field is then utilized to calculate the advection of ions in the steady flow. A phase field (PF) model of ion uptake is used to describe the reaction occurring at the solid-liquid interface and diffusion inside the porous medium. The integrated PF-VLBM model is verified in terms of the mass conservation and numerical efficiency and validated qualitatively with experimental observation data. Then, it is applied to study the influence of thermodynamic and kinetic properties, as well as flow field conditions on the ion uptake kinetics. The numerical results demonstrate that the ion uptake kinetics in porous particles has three distinct stages, which is in agreement with the observations in continuous flow experiments. In the first stage, the kinetics is predominantly controlled by the flow field and ion diffusivity in the liquid phase. The kinetics in the second stage is primarily governed by ion diffusivity in the solid phase. In the third stage the system reaches a dynamic equilibrium with a net zero uptake flux at the interface. It is also found that porous structures significantly affect the efficiency and capacity of ion uptake. The simulation results can help to understand the physics behind the observed ion uptake kinetics in experiments and to facilitate the development of constitutive equations that can account for heterogeneous microstructures in engineering performance codes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2022

Detection of p-mode Oscillations in HD 35833 with NEID and TESS

We report the results of observations of p-mode oscillations in the G0 subgiant star HD 35833 in both radial velocities and photometry with NEID and TESS, respectively. We achieve separate, robust detections of the oscillation signal with both instruments (radial velocity amplitude ARV = 1.11 ± 0.09 m s−1, photometric amplitude Aphot = 6.42 ± 0.60 ppm, frequency of maximum power nmax = 595.71  17.28 μHz, and mode spacing Δν = 36.65 ± 0.96 μHz) as well as a nondetection in a TESS sector concurrent with the NEID observations. These data shed light on our ability to mitigate the correlated noise impact of oscillations with radial velocities alone and on the robustness of commonly used asteroseismic scaling relations. The NEID data are used to validate models for the attenuation of oscillation signals for exposure times t max < n-1 , and we compare our results to predictions from theoretical scaling relations and find that the observed amplitudes are weaker than expected by >4σ, hinting at gaps in the underlying physical models.

Arvind F Gupta↗
DOE OSTI2020

Confronting the Challenge of Modeling Cloud and Precipitation Microphysics

In the atmosphere, microphysics refers to the microscale processes that affect cloud and precipitation particles and is a key linkage among the various components of Earth’s atmospheric water and energy cycles. The representation of microphysical processes in models continues to pose a major challenge leading to uncertainty in numerical weather forecasts and climate simulations. In this paper, the problem of treating microphysics in models is divided into two parts: i) how to represent the population of cloud and precipitation particles, given the impossibility of simulating all particles individually within a cloud, and ii) uncertainties in the microphysical process rates owing to fundamental gaps in knowledge of cloud physics. The recently-developed Lagrangian particle-based method is advocated as a way to address several conceptual and practical challenges of representing particle populations using traditional bulk and bin microphysics parameterization schemes. For addressing critical gaps in cloud physics knowledge, sustained investment for observational advances from laboratory experiments, new probe development, and next-generation instruments in space is needed. Greater emphasis on laboratory work, which has apparently declined over the past several decades relative to other areas of cloud physics research, is argued to be an essential ingredient for improving process-level understanding. More systematic use of natural cloud and precipitation observations to constrain microphysics schemes is also advocated. Because it is generally difficult to quantify individual microphysical process rates from these observations directly, this presents an inverse problem that can be viewed from the standpoint of Bayesian statistics. Following this idea, a probabilistic framework is proposed that combines elements from statistical and physical modeling. Besides providing rigorous constraint of schemes, there is an added benefit of quantifying uncertainty systematically. Finally, a broader hierarchical approach is proposed to accelerate improvements in microphysics schemes, leveraging the advances described in this paper related to process modeling (using Lagrangian particle-based schemes), laboratory experimentation, cloud and precipitation observations, and statistical methods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

First M87 Event Horizon Telescope Results. VIII. Magnetic Field Structure near The Event Horizon

Event Horizon Telescope (EHT) observations at 230 GHz have now imaged polarized emission around the supermassive black hole in M87 on event-horizon scales. This polarized synchrotron radiation probes the structure of magnetic fields and the plasma properties near the black hole. Here we compare the resolved polarization structure observed by the EHT, along with simultaneous unresolved observations with the Atacama Large Millimeter/submillimeter Array, to expectations from theoretical models. The low fractional linear polarization in the resolved image suggests that the polarization is scrambled on scales smaller than the EHT beam, which we attribute to Faraday rotation internal to the emission region. We estimate the average density n_e of order 10^4-7 cm-3, magnetic field strength B of order 1-30 G, and electron temperature Te of order (1-12) x 10^10 K of the radiating plasma in a simple one-zone emission model. We show that the net azimuthal linear polarization pattern may result from organized, poloidal magnetic fields in the emission region. In a quantitative comparison with a large library of simulated polarimetric images from general relativistic magnetohydrodynamic (GRMHD) simulations, we identify a subset of physical models that can explain critical features of the polarimetric EHT observations while producing a relativistic jet of sufficient power. The consistent GRMHD models are all of magnetically arrested accretion disks, where near-horizon magnetic fields are dynamically important. We use the models to infer a mass accretion rate onto the black hole in M87 of (3-20) x 10^-4 Msun yr-1.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2010

Evaluating the Utility of Remotely-Sensed Soil Moisture Retrievals for Operational Agricultural Drought Monitoring

Soil moisture is a fundamental data source used by the United States Department of Agriculture (USDA) International Production Assessment Division (IPAD) to monitor crop growth stage and condition and subsequently, globally forecast agricultural yields. Currently, the USDA IPAD estimates surface and root-zone soil moisture using a two-layer modified Palmer soil moisture model forced by global precipitation and temperature measurements. However, this approach suffers from well-known errors arising from uncertainty in model forcing data and highly simplified model physics. Here we attempt to correct for these errors by designing and applying an Ensemble Kalman filter (EnKF) data assimilation system to integrate surface soil moisture retrievals from the NASA Advanced Microwave Scanning Radiometer (AMSR-E) into the USDA modified Palmer soil moisture model. An assessment of soil moisture analysis products produced from this assimilation has been completed for a five-year (2002 to 2007) period over the North American continent between 23degN - 50degN and 128degW - 65degW. In particular, a data denial experimental approach is utilized to isolate the added utility of integrating remotely-sensed soil moisture by comparing EnKF soil moisture results obtained using (relatively) low-quality precipitation products obtained from real-time satellite imagery to baseline Palmer model runs forced with higher quality rainfall. An analysis of root-zone anomalies for each model simulation suggests that the assimilation of AMSR-E surface soil moisture retrievals can add significant value to USDA root-zone predictions derived from real-time satellite precipitation products.

Bolten, John D.↗
NASA NTRS2021

Modeling of the Tau and Muon Neutrino-induced Optical Cherenkov Signals from Upward-moving Extensive Air Showers

We present a detailed modeling and computation methodology to determine the optical Cherenkovsignals produced by upward-moving extensive air showers (EASs) induced byτ-leptons and muons,sourced from the interaction of high-energy astrophysical neutrinos interacting in the Earth. Fol-lowing and extending the physics modeling and Cherenkov signal simulations performed in [1], thisscheme encompasses a new, state-of-the-art computation of the muon neutrino propagation insidethe Earth and the contribution to theτ-lepton muon decay channel. The modeling takes into ac-count all possibleτ-lepton decay and muon energy loss channels that feed the optical Cherenkovemission, produced by both tau and muon initiated EASs. The EAS modeling uses the electronenergy, angular, and lateral distributions in the EAS and their evolution as well as the wavelengthdependence of the Cherenkov emission and its atmospheric attenuation. The results presented hereare focused on the detection capabilities of sub-orbital (balloon-borne) and orbital (satellite) basedinstruments. The latter case was calculated for POEMMAato compare to that presented in [1],specifically including the muon-decay channel ofτ-leptons and the muonic EAS Cherenkov signalfrom muon neutrino interactions in the Earth. By detailing all these individual contributions tothe optical Cherenkov emission and detection, we show how the ensemble that includes muonicchannels provides a large detection capability for space-based, high-energy cosmic neutrino detec-tion. Specifically, we show that for neutrino energies∼<10 PeV, the upward-EAS sensitivity due tomuon neutrino interactions in the Earth begin to dominate over that for tau neutrino interactions,effectively extending the neutrino sensitivity to lower energies.

A L Cummings↗
NASA NTRS1994

An Earth Albedo Model: A Mathematical Model for the Radiant Energy Input to an Orbiting Spacecraft Due to the Diffuse Reflectance of Solar Radiation from the Earth Below

Past missions have shown that the earth's albedo can have a significant effect on the sun sensors used for spacecraft attitude control information. In response to this concern, an algorithm was developed to simulate this phenomenon, consisting of two parts, the physical model of albedo and its effect on the sun sensors. This paper contains the theoretical development of this model, practical operational notes, and its implementation in a FORTRAN subroutine.

Flatley, Thomas W.↗
DOE OSTI2026

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗
DOE OSTI2025

Interpreting experimental measurements of helium bubbles using stochastic cluster dynamics models of heterogeneous nucleation and growth in irradiated ferritic alloys

Among a number of other advantageous features, ferritic/martensitic steels are being considered as fusion reactor structural materials due to their low intrinsic swelling under irradiation. However, under high-energy neutron irradiation, He produced through (n, α) reactions stabilizes vacancy clusters, which then act as seeds for bubble formation and growth, negating the intrinsic swelling resistance of these alloys. Standard models of irradiation damage accumulation and microstructural evolution consider homogeneous nucleation as the basis for bubble formation and growth. However, this generally does not explain the large bubble densities and sizes observed experimentally under a number of different conditions. Here, we propose a more realistic physical model of bubble nucleation, formation, and growth designed to capture recent experimental measurements of He-bubble formation and evolution during co-implantation of He and Fe ions in model ferritic alloys. We find that experimental results are explained only when the following three features are considered simultaneously: (i) heterogeneous nucleation of He-vacancy bubbles at defect sinks (e.g., dislocations, grain boundaries, and second-phase precipitates), (ii) nucleation and growth of bubbles via the ‘trap mutation’ mechanism (i.e., spontaneous production of Frenkel pairs due to absorption of He atoms), and (iii) transition from a growth-limited, He-stabilized bubble regime to a ‘runaway’ void-type growth scenario. The model is implemented into a stochastic cluster dynamics framework that takes advantage of cluster size grouping methods to accelerate the simulations, allowing us to reach 10 dpa of simulated irradiated dose, and to capture cluster sizes in excess of 20 nm. Further, a careful extrapolation exercise conducted assuming classical nucleation theory leads to excellent agreement with the experimental measurements at 50 dpa of irradiation.

36 MATERIALS SCIENCE↗