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DOE OSTI2021

Calibration of the Diffusivity Predictions of Centipede Using Approximate Bayesian Computation and Applications in Nyx (Engineering Scale) and Xolotl-MARMOT (Meso-Scale) Simulations

Fission gas evolution and release in UO 2 nuclear fuel are important fuel performance metrics and occur in several distinct stages: 1) nucleation, growth and resolution of intra-granular bubbles, 2) diffusion to grain boundaries and 3) nucleation and growth of bubbles at grain boundaries, which eventually form a connected network (percolation) enabling release of gas from grain boundaries through connections to triple junctions, grain edges or free surfaces. The NE-SciDAC project is developing several computational tools to model this problem, which are connected in a hierarchical multi-scale framework. The information transfer in the multi-scale framework is a critical step that, in addition to best-estimates, should include uncertainty quantification. Despite taking a first-principles multi-scale approach, there is a need to perform parameter calibration to ensure consistency with available experimental data. In the present study, uncertainty quantification (UQ) and parameter calibration is demonstrated for one of the lower length scale codes in the multi-scale framework (Centipede) and then the results, including instances of the propagated uncertainties, are used in other codes within the framework, specifically Nyx and Xolotl-MARMOT. We calibrated the model parameters in Centipede, a computer code used to predict diffusivities of uranium (U) and xenon (Xe) in the context of the simulation of fission gas in uranium oxide (UO 2 ) nuclear fuel. The Centipede code depends on 183 parameters, all of which are subject to uncertainty. The three data sets used in our calibration effort are taken from the literature. This data is available as a set of measurements, including measurement errors. Our goal is to calibrate a statistical model that predicts both the value of the measurement and the uncertainty associated with the measurement. We perform a Bayesian calibration of the model parameters using a dedicated approximate Bayesian computation (ABC) likelihood function. To avoid excessive computational costs, we replace the expensive Centipede simulation code by a higher-order surrogate model, constructed using only the 9 most important parameters. These important parameters are identified by a preliminary global sensitivity analysis (GSA) study. Among the important parameters are T0 (the temperature at which UO 2 is perfectly stoichiometric) and Hf_pO2 (the temperature dependence of the oxygen (O) partial pressure) that should be considered as operating conditions to be estimated along with the other parameters. We consider two different cases: one where we define one set of these operating conditions for all data sets, and one where we define distinct operating condition parameters for each data set. The Xe diffusivities predicted by the latter case show distinct features that could not be observed in the former. Next, we use the diffusivity predictions by Centipede as input to Nyx, a reduced order fuel performance code focused on gas behavior alone, in order to estimate quantities associated with inter-granular bubble formation at conditions specified by the experiments. Finally, the diffusivities obtained from the calibrated Centipede runs were used in coupled Xolotl-MARMOT simulations of intra- and inter-granular gas evolution. The results are compared to simulations using the baseline diffusivities from Turnbull et al.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Langmuir probe diagnostics of plasma in high current electron cyclotron resonance proton ion source

A high current Electron Cyclotron Resonance (ECR) proton ion source has been developed for low energy high intensity proton accelerator at Bhabha Atomic Research Centre. Langmuir probe diagnostics of the plasma generated in this proton ion source is performed using Langmuir probe. The diagnostics of plasma in the ion source is important as it determines beam parameters of the ion source, i.e., beam current, emittance, and available species. The plasma parameter measurement in the ion source is performed in continuously working and pulsed mode using hydrogen as plasma generation gas. The measurement is performed in the ECR zone for operating pressure and microwave power range of 10{sup −4}–10{sup −3} mbar and 400–1000 W. An automated Langmuir probe diagnostics unit with data acquisition system is developed to measure these parameters. The diagnostics studies indicate that the plasma density and plasma electron temperature measured are in the range 5.6 × 10{sup 10} cm{sup −3} to 3.8 × 10{sup 11} cm{sup −3} and 4–14 eV, respectively. Using this plasma, ion beam current of tens of mA is extracted. The variations of plasma parameters with microwave power, gas pressure, and radial location of the probe have been studied.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Relativistic corrections for screening effects on the energies of hydrogen-like atoms embedded in plasmas

The influence of relativistic and plasma screening effects on energies of hydrogen-like atoms embedded in plasmas has been studied. The Dirac equation with a more general exponential cosine screened potential has been solved numerically and perturbatively, by employing the direct perturbation theory. Properties of spectra corresponding to bound states and to different sets of the potential parameters have been studied both in nonrelativistic and relativistic approximations. Binding energies, fine-structure splittings, and relativistic energy shifts have been determined as functions of parameters of the potential. The results have been compared with the ones known from the literature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2012

Light Stau Phenomenology and the Higgs \gamma\gamma Rate

Recently, an excess of events consistent with a Higgs boson with mass of about 125 GeV was reported by the CMS and ATLAS experiments. This Higgs boson mass is consistent with the values that may be obtained in minimal supersymmetric extensions of the Standard Model (SM), with both stop masses less than a TeV and large mixing. The apparently enhanced photon production rate associated with this potential Higgs signal may be the result of light staus with large mixing. Large stau mixing and large coupling of the staus to the SM-like Higgs boson may be obtained for large values of tan {beta} and moderate to large values of the Higgsino mass parameter, {mu}. We study the phenomenological properties of this scenario, including precision electroweak data, the muon anomalous magnetic moment, Dark Matter, and the evolution of the soft supersymmetry-breaking parameters to high energies. We also analyze the possible collider signatures of light third generation sleptons and demonstrate that it is possible to find evidence of their production at the 8 TeV and the 14 TeV LHC. The most promising channel is stau and tau sneutrino associated production, with the sneutrino decaying into a W boson plus a light stau.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1982

The effects of the delays on systems subject to manual control

Results are presented of an experimental study to determine the effects of time delays in manual control systems. A simple, fixed-base laboratory simulation facility is used for determining pilot dynamics and tracking performance in a series of single-axis, compensatory tracking tasks. In these tasks, three time-delay values and three controlled-element dynamics are used. The delays are chosen to encompass values encountered in experimental and operational aircraft. It is noted that the controlled-element dynamics replicate those found in many previous manual control studies, that is, the classical displacement, rate, and acceleration control systems. The experimental effort is complemented with an analytical pilot modeling study where the parameters of a structural model of the human pilot are adjusted so as to provide excellent matches to the experimentally determined pilot dynamics. The experimental and analytical studies both indicate that time delays cause significant changes in pilot equalization requirements.

Hess, R. A.↗

DOE OSTI2026

Data and scripts associated with a manuscript analyzing ELM-FATES parameter sensitivity under pre-fire and postfire scenarios using machine learning

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “Fire Severity-Dependent Shifts in Vegetation Parameter Sensitivity: A Pre- and Post-Fire Analysis Using ELM-FATES and Explainable AI” submitted to Journal of Advances in Modeling Earth Systems (Zahura et al. 2026). The study examines vegetation physiological parameters controlling pre-fire and post-fire vegetation dynamics. To support this analysis, 73 vegetation parameters in Functionally Assembled Terrestrial Ecosystem Simulator (FATES) (Fisher et al., 2018) , which is coupled with E3SM (Energy Exascale Earth System Model) land model (ELM, ELM-FATES), were perturbed using a Sobol sequence to generate 1,024 ensemble members for two plant functional types: needleleaf evergreen extratropical trees (NEET) and C3 grass. Simulations were conducted for the pre-fire period (2016) and post-fire period (2018–2023). Burn severity was represented by modifying the Nesterov index in FATES to 75,000, 150,000, and 300,000 for low, moderate, and high severity, respectively. A no-fire scenario was also included. Simulations were performed for 16 grid cells in the American River Watershed across different burn severities and plant functional types. XGBoost (eXtreme Gradient Boosting) models were trained using the parameter ensembles and ELM-FATES-simulated outputs, including leaf area index (LAI), gross primary productivity (GPP), aboveground biomass, vegetation evaporation, transpiration, and soil evaporation. Models were trained separately for each year and burn severity, followed by SHAP (SHapley Additive exPlanations) analysis to identify changes in dominant parameters after fire disturbance. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. The data package contains the ELM-FATES simulation data. The scripts and data related to the analysis will be added later. The inputs and outputs from ELM-FATES are inside the “FATES” folder. “FATES_domain_surface” contains the domain and surface netcdfs that were used to run ELM-FATES in the study area. “FATES_parameters” contains the 1024 ensembles that were generated using Sobol sequence. “FATES_outputs” folder contains ELM-FATES simulated variables. All files are .csv and .nc (NetCDF).

Aboveground biomass↗

DOE OSTI2023

Package Performance Study: A Historical Perspective and Planning for a Path Forward

The topic of spent nuclear fuel (SNF) transportation often draws public attention and concerns regarding safety, and with large-scale shipping campaigns expected in the future, public interest is anticipated to substantially increase. In 1999, the U.S. Nuclear Regulatory Commission (NRC) began an initiative called the Package Performance Study (PPS) that initially focused on SNF transportation cask responses to severe transportation accidents. A public participation approach was to be used to help guide the scope and parameters of the study, which was also to consider using full-scale physical testing of a SNF transportation cask, where appropriate. In 2010, the NRC decided not to go forward with physical testing as proposed. In 2006, the National Academy of Sciences (NAS) conducted a study on SNF and high-level radioactive waste transportation in the United States. The NAS study recommended that full-scale cask testing, as well as other accepted methodologies, continue to be used as part of the package performance evaluation. In 2012, the Blue Ribbon Commission on America’s Nuclear Future (BRC) recommended conducting the PPS with a full-scale rail transportation cask for the purpose of building public trust and confidence in the safety of SNF transport. In 2021, the U.S. Department of Energy (DOE) restarted a consent-based siting process, focusing on how to site federal facilities for the interim consolidated storage of SNF using a consent-based approach. Large-scale SNF transportation would be necessary for any such interim storage facility. As the planning activities begin for future large-scale shipping campaigns, the DOE is considering options for conducting a DOE-led PPS to help build public trust and confidence in the transportation of SNF. Therefore, the DOE is gathering information related to the previous NRC-led PPS efforts, as well as applicable international experience with the testing of SNF packages. This paper discusses previous NRC efforts, as well as the current status of a DOE-led PPS, which is in the early planning stages.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1992

Anode power deposition in a MPD thruster with a magnetically annulled Hall parameter anode

Results from previous studies indicate that the anode fall increases monotonically with the electron Hall parameter. In an attempt to reduce the anode fall by decreasing the local electron Hall parameter, a proof-of-concept test was performed in which an array of 36 permanent magnets were imbedded within the anode of a high power quasi-steady MPD thruster to decrease the local azimuthal component of the induced magnetic field. The modified thruster was operated at power levels between 150 kW and 4 MW with Ar and He propellants. Terminal voltage, triple probe, floating probe, and magnetic probe measurements were made to characterize the performance of the thruster with new anode. Incorporation of the modified anode resulted in a reduction of the anode fall by up to 15 V with Ar and 20 V with He, which corresponded to decreased anode power fractions of 40 and 45 percent with Ar and He, respectively.

Gallimore, Alec D.↗

NASA NTRS2018

LPV Modeling and Control for Active Flutter Suppression of a Smart Airfoil

In this paper, a novel technique of linear parameter varying (LPV) modeling and control of a smart airfoil for active flutter suppression is proposed, where the smart airfoil has a groove along its chord and contains a moving mass that is used to control the airfoil pitching and plunging motions. The new LPV modeling technique is proposed that uses mass position as a scheduling parameter to describe the physical constraint of the moving mass, in addition the hard constraint at the boundaries is realized by proper selection of the parameter varying function. Therefore, the position of the moving mass and the free stream airspeed are considered the scheduling parameters in the study. A state-feedback based LPV gain-scheduling controller with guaranteed H infinity performance is presented by utilizing the dynamics of the moving mass as scheduling parameter at a given airspeed. The numerical simulations demonstrate the effectiveness of the proposed LPV control architecture by significantly improving the performance while reducing the control effort.

Smart Airfoil↗

NASA NTRS1976

Experimental design of laminar proportional amplifiers

An experimental program was initiated at Langley Research Center to study the effects of various parameters on the design of laminar proportional beam deflection amplifiers. Matching and staging of amplifiers to obtain high-pressure gain was also studied. Variable parameters were aspect ratio, setback, control length, receiver distance, receiver width, width of center vent, and bias pressure levels. Usable pressure gains from 4 to 19 per stage can now be achieved, and five amplifiers were staged together to yield pressure gains up to 2,000,000.

Hellbaum, R. F.↗

DOE OSTI2017

A first principles study of the mechanical, electronic, and vibrational properties of lead oxide

The first principles study of the crystal structure, chemical bonds, elastic and mechanical properties, electron energy band structure and density, and normal long-wave vibrations of nine phases of lead monoxide, dioxide, and tetraoxide has been performed under normal and external pressure within the framework of density functional theory (DFT) with the Perdew–Becke–Ernzerhof (PBE) gradient exchange-correlation functional and its hybrid version with a 25-% Hartree–Fock (HF) exchange contribution in the basis of localized atom orbitals. The behavior of physical parameters has been studied using the cold four- and threeparameter equations of state. The parameters of the crystal structures are in satisfactory agreement with experimental data, and elastic constants indicate their mechanical stability and anisotropy in the elastic properties. The elasticity, shear, and Young moduli, hardness, acoustic velocities, and Debye temperature of dioxide on the one hand and monoxide and tetraoxide on the other hand appreciably differ from each other. The difference between electron properties may be explained by the character of hybridization in the upper filled and lower empty energy bands as evident from the density of states. In monoxide, the indirect band gap width decreases with increasing pressure at a rate of 0.16 eV/GPa, and the direct band gap width increases at a rate of 0.13 eV/GPa. To identify crystalline phases, the frequencies and intensities of long-wave modes active in IR and Raman spectra have been calculated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1967

Experimental scaling study of fluid amplifier elements

Study examines scaling parameters of three fluid amplifier elements - a bistable device, a boundary layer control device, and a vortex device. Variations in performance due to size, fluid, and other conditions are studied. Even with restricted examples the large number of variables impedes the establishment of these scaling laws.

Abler, J.↗

NASA NTRS1997

Physiological Anatomical Rodent Experiment (PARE): 04 Flight Support

Rats were shipped to Kennedy Space Center (KSC), Florida, on day 2 of gestation [(G2) (day 1 = morning on which spermatozoa are present in the vagina)] and laparotomized on G7 to determine the number of implantation sites in each uterine horn. On G8, ten pregnant rats meeting flight criteria (at least five implantation sites each horn) were placed into NASA flight cages (animal enclosure modules, AEMS, five rats per cage), loaded onto the mid-deck of the space shuttle Atlantis, and on G9 (November 3, 1994) they were launched into orbit. On gestation day 20, (November 14, 1994) the shuttle returned to Edwards Air Force Base, California and the flight animals were recovered from the shuttle and subjected to unilateral hysterectomy to provide fetal material from one horn to investigators identified by NASA to study selected fetal parameters. After unilateral hysterectomy, the animals were allowed to recover and deliver vaginally. There were three groups (n = 10 each group) of control animals housed at KSC in the study. A synchronous control group, delayed 24 hours with reference to the flight group, received the same surgeries and was housed five rats per AEM and exposed to all flight conditions (identical temperatures, lighting and humidity) except microgravity. Vivarium control group I did not receive any surgery and was housed in the vivarium in clear polycarbonate cages. Vivarium control group 2 received only a unilateral hysterectomy on day 20 of gestation but otherwise was housed like the vivarium control group 1. Control groups were allowed to complete their pregnancy and deliver fetuses from the remaining horn (Synchronous control and vivarium control group 2) or horns (Vivarium control group 1). After surgery, the dams were euthanized and tissues recovered, and the neonates were assigned to foster dams.

Burden, Hubert W.↗

NASA NTRS1971

Parameter identification using a creeping-random-search algorithm

A creeping-random-search algorithm is applied to different types of problems in the field of parameter identification. The studies are intended to demonstrate that a random-search algorithm can be applied successfully to these various problems, which often cannot be handled by conventional deterministic methods, and, also, to introduce methods that speed convergence to an extremal of the problem under investigation. Six two-parameter identification problems with analytic solutions are solved, and two application problems are discussed in some detail. Results of the study show that a modified version of the basic creeping-random-search algorithm chosen does speed convergence in comparison with the unmodified version. The results also show that the algorithm can successfully solve problems that contain limits on state or control variables, inequality constraints (both independent and dependent, and linear and nonlinear), or stochastic models.

Parrish, R. V.↗

DOE OSTI2021

High performance protonic ceramic fuel cell systems for distributed power generation

The technology landscape around distributed generation continues to evolve in response to increasing demand for high-efficiency, low-emission, low-cost power generation. While emerging distributed power technologies, such as solid oxide fuel cells (SOFCs), continue to advance, they still face challenges due to their high capital costs, and shorter lifetimes that typically arise from electrochemical stack performance degradation at high operating temperatures (>750 °C). Recent advancements in protonic ceramic fuel cells (PCFCs) offer the potential to mitigate drawbacks of their higher temperature SOFC counterparts by enabling lower operating temperatures (550 °C–600 °C) with acceptable power densities. Here the present work leverages the recent progress in protonic ceramic cell and stack technology development to generate viable system configurations and evaluate the energetic performance potential of PCFC-based systems for stationary power generation. Process system engineering of two water-neutral system concepts, which provide 25 kW of electric power and process hot water, are presented and evaluated through sensitivity studies. Stack design parameters are altered and used to gauge the effect on system performance characteristics, including fuel cell stack and balance-of-plant sizing requirements, and electric and cogeneration efficiencies. The study finds that the potentially high per-pass fuel utilization capability of PCFC stacks could enable unprecedented electric efficiencies approaching 70% without hybridization with other prime movers.

25 ENERGY STORAGE↗

DOE OSTI2011

Recycling By Solvolysis Thermosetting Composite Materials Of Sustainable Surface Transport

A solvolysis process is studied to degrade an unsaturated polyester resin based on DCPD (dicyclopentadiene) and crosslinked with styrene, as the matrix of a composite material reinforced with long glass fibers. The study presented here investigates in particular the hydrolysis in conditions below the critical point of water (T<374 deg. C and P<221bar) in a batch reactor. Process window and parameter influences were studied by a Design of Experiments (DOE) approach (1). A tar-like substance issued from thermal degradations is formed in greater or lesser quantities depending on the operating conditions, and coats the fibers. The appearance of the composite samples and the degree of conversion for the degradation at 250 deg. C lead us to make a parallel with osmosis phenomena to explain the initiation mechanism of the degradation.

36 MATERIALS SCIENCE↗

DOE OSTI2016

An Optimal Parameterization Framework for Infrasonic Tomography of the Stratospheric Winds Using Non-Local Sources

A method is developed to apply acoustic tomography methods to a localized network of infrasound arrays with intention of monitoring the atmosphere state in the region around the network using non-local sources without requiring knowledge of the precise source location or non-local atmosphere state. Closely spaced arrays provide a means to estimate phase velocities of signals that can provide limiting bounds on certain characteristics of the atmosphere. Larger spacing between such clusters provide a means to estimate celerity from propagation times along multiple unique stratospherically or thermospherically ducted propagation paths and compute more precise estimates of the atmosphere state. In order to avoid the commonly encountered complex, multimodal distributions for parametric atmosphere descriptions and to maximize the computational efficiency of the method, an optimal parametrization framework is constructed. This framework identifies the ideal combination of parameters for tomography studies in specific regions of the atmosphere and statistical model selection analysis shows that high quality corrections to the middle atmosphere winds can be obtained using as few as three parameters. Lastly, comparison of the resulting estimates for synthetic data sets shows qualitative agreement between the middle atmosphere winds and those estimated from infrasonic traveltime observations.

58 GEOSCIENCES↗

DOE OSTI2015

Study of the feasibility of distributed cathodic arc as a plasma source for development of the technology for plasma separation of SNF and radioactive wastes

One of the key problems in the development of plasma separation technology is designing a plasma source which uses condensed spent nuclear fuel (SNF) or nuclear wastes as a raw material. This paper covers the experimental study of the evaporation and ionization of model materials (gadolinium, niobium oxide, and titanium oxide). For these purposes, a vacuum arc with a heated cathode on the studied material was initiated and its parameters in different regimes were studied. During the experiment, the cathode temperature, arc current, arc voltage, and plasma radiation spectra were measured, and also probe measurements were carried out. It was found that the increase in the cathode heating power leads to the decrease in the arc voltage (to 3 V). This fact makes it possible to reduce the electron energy and achieve singly ionized plasma with a high degree of ionization to fulfill one of the requirements for plasma separation of SNF. This finding is supported by the analysis of the plasma radiation spectrum and the results of the probe diagnostics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗