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NASA NTRS2015

The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

Constituent properties, along with volume fraction, have a first order effect on the microscale fields within a composite material and influence the macroscopic response. Therefore, there is a need to assess the significance of stochastic variation in the constituent properties of composites at the higher scales. The effect of variability in the parameters controlling the time-dependent behavior, in a unidirectional SCS-6 SiC fiber-reinforced RBSN matrix composite lamina, on the residual stresses induced during processing is investigated numerically. The generalized method of cells micromechanics theory is utilized to model the ceramic matrix composite lamina using a repeating unit cell. The primary creep phases of the constituents are approximated using a Norton-Bailey, steady state, power law creep model. The effect of residual stresses on the proportional limit stress and strain to failure of the composite is demonstrated. Monte Carlo simulations were conducted using a normal distribution for the power law parameters and the resulting residual stress distributions were predicted.

residual stress↗

NASA NTRS2015

The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

processing↗

DOE OSTI2025

Calibration and simulation of ionization signal and electronics noise in the ICARUS liquid argon time projection chamber

The ICARUS liquid argon time projection chamber (LArTPC) neutrino detector has been taking physics data since 2022 as part of the Short-Baseline Neutrino (SBN) Program. This paper details the equalization of the response to charge in the ICARUS time projection chamber (TPC), as well as data-driven tuning of the simulation of ionization charge signals and electronics noise. The equalization procedure removes non-uniformities in the ICARUS TPC response to charge in space and time. This work leverages the copious number of cosmic ray muons available to ICARUS at the surface. The ionization signal shape simulation applies a novel procedure that tunes the simulation to match what is measured in data. The end result of the equalization procedure and simulation tuning allows for a comparison of charge measurements in ICARUS between Monte Carlo simulation and data, showing good performance with minimal residual bias between the two.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1988

Observations of comets and asteroids

All available ground-based observational techniques are used to study the chemical and physical properties of the small bodies of the solar system, primarily comets and secondarily asteroids. The ultimate goal is to use these bodies to understand the formation and evolution of the solar system. The analysis of charge coupled device (CCD) images of comet P/Halley continued. This included a mojor revision of a paper on the periodicities of CN jets in Halley showing that their periodicity is 7.3 days, not 2.2 days. It also included an analysis of the continuum images which showed that the dust in jets is much redder than in the ambient coma. Calculations with Mie theory suggest that the particles that show the strongest effects of radiation pressure. Much effort was expended devising methods to estimate the level of sky background of the many images in which comet extends to the edge of the chip. Examined images of comet Wilson were taken over many months in 1987. Wilson, a dynamically new comet, shows none of the short-term variability or jet structure (either dusty jets or jets of radicals seen in Halley. This is presumably due to the lack of a mantle or the nucleus. Median-imaging of sky was as a technique for removing residual flat-fielding errors in CCD images. A Monte Carlo model and a convolution model were developed for studying temporal variability of gaseous daughter products.

Ahearn, Michael F.↗

DOE OSTI2024

Effects of growth rate and dynamic substrate tilt on properties of Au-Ta alloy films deposited by high-power impulse magnetron sputtering

Gold-tantalum (Au—Ta) alloys are promising for next-generation hohlraums for magnetically-assisted indirect-drive inertial confinement fusion. Hohlraum fabrication involves sputter deposition of ultrathick coatings on sphero-cylindrical substrates. The control of physical properties of such coatings remains a challenge. Here, in this work, we systematically study effects of the growth rate and dynamic substrate tilt on properties of AuTa 4 films deposited onto rotating planar substrates mounted at different tilt angles to mimic different regions of the sphero-cylindrical surface of a hohlraum. We use high-power impulse magnetron sputtering (HiPIMS) in the constant charge per pulse mode with a pulse duration of 100 μs, a charge per pulse of 190 μC, a peak target current of about 3 A, and the pulse frequency varied in the range of 400–1400 Hz. The Langmuir probe, mass-resolved ion energy spectrometry, and optical emission spectroscopy are used to monitor plasma discharge characteristics in order to isolate and study effects of the growth rate. The deposition rate and the ballistics and energetics of depositing species are estimated by Monte Carlo simulations. Results show that the film microstructure, crystallographic phase, residual stress, and electrical resistivity strongly depend on both the deposition rate and substrate tilt, highlighting their critical role in tailoring properties of Au—Ta films during hohlraum fabrication.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Combinatorial sputter deposition of ultrathick Au-Bi alloy films

We report gold-bismuth alloys are of interest as catalysts and catalytic sensing systems, electrochemical sensors, superconductors, and hohlraums for magnetically assisted inertial confinement fusion implosions. Radiation-hydrodynamics simulations with the Lasnex code of laser-driven hohlraums predict higher x-ray drive from Au-Bi alloys compared with cases of Au-Ta or pure Au and Bi hohlraums. Here, we use direct current magnetron sputtering in Ar gas, with co-sputtering from two elemental targets, to deposit Au-Bi alloys with Bi content of 9–77 at.% and thicknesses up to ~20 µm. Films are characterized by a combination of x-ray diffraction, Rutherford backscattering, scanning electron microscopy, substrate-curvature-based residual stress, and electronic transport measurements. Experiments are complemented by Monte Carlo simulations of ballistic sputtering and gas phase transport of depositing species and Ar gas atoms. Results show that all films are polycrystalline, with three distinct compositional regimes dominated by Au, Au 2 Bi, and Bi crystallographic phases. A metallic behavior of the temperature dependence of electrical resistivity is observed for all the films. Films with Bi content above ~30 at.% exhibit porosity, which is tolerable to hohlraum x-ray drive based on Lasnex simulations.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Thermal Compton Scattering of Electron Beams on Blackbody Photons: A Monte Carlo Event Generator for Multi-Turn Tracking at the Electron-Ion Collider

Compton scattering of ultra-relativistic electrons on thermal (blackbody) photons is typically a subdominant process in electron storage rings, but at sufficiently high electron energy and low residual gas pressure it can become competitive with beam-gas scattering and contribute to dis tributed losses and backgrounds. We present a self-contained Monte Carlo event generator for thermal Compton scattering designed for integration into multi-turn tracking workflows. The im plementation follows H. Burkhardt’s proposal method: trial scattering angles are sampled from the Thomson differential cross section and accepted/rejected using the Klein-Nishina to Thomson ratio, yielding the correct Compton spectrum while retaining simple absolute-rate normalization. Ther mal photon energies are sampled from the blackbody photon-number spectrum via an exact mixture representation.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Patchy particle model of hydrated amorphous silica

Glasses corroded in static aqueous conditions typically reach a slow, residual rate of dissolution as a result of the complex interplay between multiple processes. While intrinsically suited to address this problem, Monte Carlo (MC) models developed to date have relied on lattices to describe the amorphous structure of glass and are thus unable to reproduce the residual rate of glass corrosion. A recently developed MC approach based on amorphous structures derived from molecular dynamics simulations offers a solution [Kerisit and Du J. Non-Cryst. Solids 522 (2019) 119601], but it requires a simple model that can rapidly relax the glass-water interface upon each dissolution/condensation event to retain the ability of MC simulations to reach large spatial and temporal scales. To this end, a patchy particle model of hydrated amorphous silica was developed and evaluated against atomistic simulations in this work. Models of water and amorphous silica were first developed separately, and cross terms were then defined to enable simulations of hydrated amorphous silica structures with varying water content. While the nature of its interaction potential prevents the patchy particle model from reproducing simultaneously the structure and dynamics of the systems of interest with a single set of parameters, it described well the connectivity of hydrated amorphous silica structures and the local coordination geometry of individual species. Therefore, this model opens the door to MC simulations of the residual rate of glass corrosion and offers an alternative to atomistic models to investigate the evolution of silica gels over large spatial and temporal scales.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Uncertainty Quantification of Geophysical Inversion Using Stochastic Partial Differential Equations (LDRD #218329)

This report summarizes work completed under the Laboratory Directed Research and Development (LDRD) project "Uncertainty Quantification of Geophysical Inversion Using Stochastic Differential Equations." Geophysical inversions often require computationally expensive algorithms to find even one solution, let alone propagating uncertainties through to the solution domain. The primary purpose of this project was to find more computationally efficient means to approximate solution uncertainty in geophysical inversions. We found multiple computationally efficient methods of propagating Earth model uncertainty into uncertainties in solutions of full waveform seismic moment tensor inversions. However, the optimum method of approximating the uncertainty in these seismic source solutions was to use the Karhunen-Love theorem with data misfit residuals. This method was orders of magnitude more computationally efficient than traditional Monte Carlo methods and yielded estimates of uncertainty that closely approximated those of Monte Carlo. We will summarize the various methods we evaluated for estimating uncertainty in seismic source inversions as well as work toward this goal in the realm of 3-D seismic tomographic inversion uncertainty.

58 GEOSCIENCES↗

DOE OSTI2025

Simulation of the radiological impact during selected space travel scenarios using the Monte Carlo code FLUKA

Radiation is one of the major challenges of space exploration and can negatively impact both biological and electronic systems, particularly in the case of long-term journeys or if the spaceship features inadequate shielding. Here, in this work, the cumulative dose levels from prompt radiation in the spacecraft are quantified alongside the residual dose contributions arising from activation of vessel components. The radiological impact was assessed for various space exploration scenarios, considering the same spaceship model featuring three shielding design variants. In each scenario, the radiation environment was generated with the Monte Carlo particle transport and interaction code FLUKA. These results can be used to quantify the contribution of prompt and residual dose in spacefaring ventures and help determine optimal radiation shielding needed to mitigate the overall radiological impact on both astronauts and equipment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Production and discovery of neutron-rich isotopes by fragmentation of 198 Pt

Production cross sections were measured for fragments produced by an 85 MeV/u 198 Pt beam incident on a beryllium target. Event-by-event particle identification of A, Z, and q for the reaction products was performed by employing energy loss, time-of-flight, magnetic rigidity, and total kinetic energy measurements. Over 70 nuclei in the Hf-Pt region were identified, including three isotopes first observed in this work: 191,192 Hf and 189 Lu. Due to the existence of multiple charge states between H-like and C-like ions, a new analysis method was introduced, incorporating Monte Carlo calculations of charge state fractions for a given charge state of the projectile residue just after the reaction. For the first time, charge-state probability distribution functions after the reaction have been deduced from experimental data. Furthermore, this study provides insight into how to produce key nuclides near N = 126 and the ability of a fragmentation residue to retain electrons from the primary beam.

190 ≤ A ≤ 219↗

NASA NTRS2013

Galactic Cosmic Ray Event-Based Risk Model (GERM) Code

This software describes the transport and energy deposition of the passage of galactic cosmic rays in astronaut tissues during space travel, or heavy ion beams in patients in cancer therapy. Space radiation risk is a probability distribution, and time-dependent biological events must be accounted for physical description of space radiation transport in tissues and cells. A stochastic model can calculate the probability density directly without unverified assumptions about shape of probability density function. The prior art of transport codes calculates the average flux and dose of particles behind spacecraft and tissue shielding. Because of the signaling times for activation and relaxation in the cell and tissue, transport code must describe temporal and microspatial density of functions to correlate DNA and oxidative damage with non-targeted effects of signals, bystander, etc. These are absolutely ignored or impossible in the prior art. The GERM code provides scientists data interpretation of experiments; modeling of beam line, shielding of target samples, and sample holders; and estimation of basic physical and biological outputs of their experiments. For mono-energetic ion beams, basic physical and biological properties are calculated for a selected ion type, such as kinetic energy, mass, charge number, absorbed dose, or fluence. Evaluated quantities are linear energy transfer (LET), range (R), absorption and fragmentation cross-sections, and the probability of nuclear interactions after 1 or 5 cm of water equivalent material. In addition, a set of biophysical properties is evaluated, such as the Poisson distribution for a specified cellular area, cell survival curves, and DNA damage yields per cell. Also, the GERM code calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle in a selected material. The GERM code makes the numerical estimates of basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) for the purpose of simulating space radiation biological effects. In the first option, properties of monoenergetic beams are treated. In the second option, the transport of beams in different materials is treated. Similar biophysical properties as in the first option are evaluated for the primary ion and its secondary particles. Additional properties related to the nuclear fragmentation of the beam are evaluated. The GERM code is a computationally efficient Monte-Carlo heavy-ion-beam model. It includes accurate models of LET, range, residual energy, and straggling, and the quantum multiple scattering fragmentation (QMSGRG) nuclear database.

Cucinotta, Francis A.↗

NASA NTRS2023

The Impact and Estimation of Uncertainty Correlation for Multi-Angle Polarimetric Remote Sensing of Aerosols and Ocean Color

Multi-angle polarimetric (MAP) measurements contain rich information for characterization of aerosol microphysical and optical properties that can be used to improve atmospheric correction in ocean color remote sensing. Advanced retrieval algorithms have been developed to obtain multiple geophysical parameters in the atmosphere-ocean system, although uncertainty correlation among measurements is generally ignored due to lack of knowledge on its strength and characterization. In this work, we provide a practical framework to evaluate the impact of the angular uncertainty correlation from retrieval results and a method to estimate correlation strength from retrieval fitting residuals. The Fast Multi-Angular Polarimetric Ocean coLor (FastMAPOL) retrieval algorithm, based on neural network forward models, is used to conduct the retrievals and uncertainty quantification. In addition, we also discuss a flexible approach to include a correlated uncertainty model in the retrieval algorithm. The impact of angular correlation on retrieval uncertainties is discussed based on synthetic AirHARP and HARP2 measurements using a Monte Carlo uncertainty estimation method. Correlation properties are estimated using auto-correlation functions based on the fitting residuals from both synthetic AirHARP and HARP2 data and real AirHARP measurement, with the resulting angular correlation parameters found to be larger than 0.9 and 0.8 for reflectance and DoLP, respectively, which correspond to correlation angles of 10° and 5°. Although this study focuses on angular correlation from HARP instruments, the methodology to study and quantify uncertainty correlation is also applicable to other instruments with angular, spectral, or spatial correlations, and can help inform laboratory calibration and characterization of the instrument uncertainty structure.

PACE↗

NASA NTRS1995

Determining the Accuracy of Aerodynamic Model Parameters Estimated from Flight Test Data

An important part of building mathematical models based on measured data is calculating the accuracy associated with statistical estimates of the model parameters. Indeed, without some idea of this accuracy, the parameter estimates themselves have limited value. In this work, an expression for computing quantitatively correct parameter accuracy measures for maximum likelihood parameter estimates with colored residuals is developed and validated. This result is important because experience in analyzing flight test data reveals that the output residuals from maximum likelihood estimation are almost always colored. The calculations involved can be appended to conventional maximum likelihood estimation algorithms. Monte Carlo simulation runs were used to show that parameter accuracy measures from the new technique accurately reflect the quality of the parameter estimates from maximum likelihood estimation without the need for correction factors or frequency domain analysis of the output residuals. The technique was applied to flight test data from repeated maneuvers flown on the F-18 High Alpha Research Vehicle (HARV). As in the simulated cases, parameter accuracy measures from the new technique were in agreement with the scatter in the parameter estimates from repeated maneuvers, while conventional parameter accuracy measures were optimistic.

Morelli, Eugene A.↗

NASA NTRS1997

Accuracy of Aerodynamic Model Parameters Estimated from Flight Test Data

An important put of building mathematical models based on measured date is calculating the accuracy associated with statistical estimates of the model parameters. Indeed, without some idea of this accuracy, the parameter estimates themselves have limited value. An expression is developed for computing quantitatively correct parameter accuracy measures for maximum likelihood parameter estimates when the output residuals are colored. This result is important because experience in analyzing flight test data reveals that the output residuals from maximum likelihood estimation are almost always colored. The calculations involved can be appended to conventional maximum likelihood estimation algorithms. Monte Carlo simulation runs were used to show that parameter accuracy measures from the new technique accurately reflect the quality of the parameter estimates from maximum likelihood estimation without the need for correction factors or frequency domain analysis of the output residuals. The technique was applied to flight test data from repeated maneuvers flown on the F-18 High Alpha Research Vehicle. As in the simulated cases, parameter accuracy measures from the new technique were in agreement with the scatter in the parameter estimates from repeated maneuvers, whereas conventional parameter accuracy measures were optimistic.

Morelli, Eugene A.↗

NASA NTRS2010

Lunar Outpost Life Support Architecture Study Based on a High-Mobility Exploration Scenario

This paper presents results of a life support architecture study based on a 2009 NASA lunar surface exploration scenario known as Scenario 12. The study focuses on the assembly complete outpost configuration and includes pressurized rovers as part of a distributed outpost architecture in both stand-alone and integrated configurations. A range of life support architectures are examined reflecting different levels of closure and distributed functionality. Monte Carlo simulations are used to assess the sensitivity of results to volatile high-impact mission variables, including the quantity of residual Lander oxygen and hydrogen propellants available for scavenging, the fraction of crew time away from the outpost on excursions, total extravehicular activity hours, and habitat leakage. Surpluses or deficits of water and oxygen are reported for each architecture, along with fixed and 10-year total equivalent system mass estimates relative to a reference case. System robustness is discussed in terms of the probability of no water or oxygen resupply as determined from the Monte Carlo simulations.

Lange, Kevin E.↗

DOE OSTI2025

Computational screening of fly ash zeolite sorbents for boric acid removal

In the United States, many impoundments at coal-fired power plants contain elevated contaminants like arsenic, boron, barium, and selenium. Zeolites synthesized from fly ash show promise as sorbents for these contaminants. However, optimizing sorption capacity is challenging due to numerous possible topologies, silicon to aluminum (Si/Al) ratios, and cation types. In this study, molecular simulations are used to design cationic zeolites for boric acid adsorption. Force field models based on quantum mechanical calculations (PBE + D2) for Na-, Ca-, Mn-, and Fe-exchanged chabazite and LTA are presented. The new D2FF force fields reproduce DFT energies with about half the error of UFF. Zeolite performance depends on Si/Al ratio and cation type, with low Si/Al ratio chabazite (CHA) and phillipsite (PHI) zeolite frameworks exchanged with Ca 2+ or Na + /Ca 2+ mixtures showing the highest adsorption. In conclusion, these findings suggest tailored fly ash-derived zeolites could provide effective boron removal from leachate ponds.

CCR impoundment↗

NASA NTRS2012

Autonomous Navigation Performance During The Hartley 2 Comet Flyby

On November 4, 2010, the EPOXI spacecraft performed a 700-km flyby of the comet Hartley 2 as follow-on to the successful 2005 Deep Impact prime mission. EPOXI, an extended mission for the Deep Impact Flyby spacecraft, returned a wealth of visual and infrared data from Hartley 2, marking the fifth time that high-resolution images of a cometary nucleus have been captured by a spacecraft. The highest resolution science return, captured at closest approach to the comet nucleus, was enabled by use of an onboard autonomous navigation system called AutoNav. AutoNav estimates the comet-relative spacecraft trajectory using optical measurements from the Medium Resolution Imager (MRI) and provides this relative position information to the Attitude Determination and Control System (ADCS) for maintaining instrument pointing on the comet. For the EPOXI mission, AutoNav was tasked to enable continuous tracking of a smaller, more active Hartley 2, as compared to Tempel 1, through the full encounter while traveling at a higher velocity. To meet the mission goal of capturing the comet in all MRI science images, position knowledge accuracies of +/- 3.5 km (3-?) cross track and +/- 0.3 seconds (3-?) time of flight were required. A flight-code-in-the-loop Monte Carlo simulation assessed AutoNav's statistical performance under the Hartley 2 flyby dynamics and determined optimal configuration. The AutoNav performance at Hartley 2 was successful, capturing the comet in all of the MRI images. The maximum residual between observed and predicted comet locations was 20 MRI pixels, primarily influenced by the center of brightness offset from the center of mass in the observations and attitude knowledge errors. This paper discusses the Monte Carlo-based analysis that led to the final AutoNav configuration and a comparison of the predicted performance with the flyby performance.

flyby↗