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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Comparisons of CFD Simulations of Icing Wind Tunnel Clouds with Experiments Conducted at the NASA Propulsions Systems Laboratory

This paper evaluates simulation predictions against experimental test data of icing clouds that were produced during 2018 ice crystal icing physics tests conducted at the NASA Propulsion Systems Laboratory icing wind tunnel. Aero-thermal and cloud parameters are set and known upstream at the tunnel inlet and spray system, but change as the cloud and air thermodynamically interact as the flowing masses reach the tunnel test section. Utilizing the ANSYS Fluent Discrete Phase Model function, 3D computational fluid dynamics (CFD) simulations were performed, capturing the thermodynamic interactions between the test parameters, and providing predictions of the aero thermal and cloud conditions at the tunnel test section. Simulation predictions were compared with test data that were measured at the tunnel exit plane. Evaluations focused on the cloud concentration (total water content), humidity content, and air temperature. CFD simulation predictions showed areas of agreement and disagreement. Simulations showed that cloud concentration profiles at the test section are strongly related to the initial spray nozzle pattern used at the tunnel inlet. Experimental data suggest that greater dispersion of the cloud occurred as the simulated cloud predicted areas of high and low cloud concentration compared to test data profiles. Simulations, however, captured the magnitude and location of the change in humidity content and the change in air temperature due to the presence of the cloud reasonably well, when compared to test data. This result would suggest that while the ANSYS simulation did not fully predict the spreading of the cloud as measured during experiment, it did capture evaporation and the molecular movements of air and vapor relatively well.

CFD↗
NASA NTRSDate not supplied

Comparisons of CFD Simulations of Icing Wind Tunnel Clouds with Experiments Conducted at the NASA Propulsions Systems Laboratory

This paper evaluates simulation predictions against experimental test data of icing clouds that were produced during 2018 ice crystal icing physics tests conducted at the NASA Propulsion Systems Laboratory icing wind tunnel. Aero-thermal and cloud parameters are set and known upstream at the tunnel inlet and spray system, but change as the cloud and air thermodynamically interact as the flowing masses reach the tunnel test section. Utilizing the ANSYS Fluent Discrete Phase Model function, 3D computational fluid dynamics (CFD) simulations were performed, capturing the thermodynamic interactions between the test parameters, and providing predictions of the aero thermal and cloud conditions at the tunnel test section. Simulation predictions were compared with test data that were measured at the tunnel exit plane. Evaluations focused on the cloud concentration (total water content), humidity content, and air temperature. CFD simulation predictions showed areas of agreement and disagreement. Simulations showed that cloud concentration profiles at the test section are strongly related to the initial spray nozzle pattern used at the tunnel inlet. Experimental data suggest that greater dispersion of the cloud occurred as the simulated cloud predicted areas of high and low cloud concentration compared to test data profiles. Simulations, however, captured the magnitude and location of the change in humidity content and the change in air temperature due to the presence of the cloud reasonably well, when compared to test data. This result would suggest that while the ANSYS simulation did not fully predict the spreading of the cloud as measured during experiment, it did capture evaporation and the molecular movements of air and vapor relatively well.

CFD↗
NASA NTRS2017

Implicit Formulation of Muscle Dynamics in OpenSim

Astronauts lose bone and muscle mass during spaceflight. Exercise countermeasure is the primary method for counteracting bone and muscle mass loss in space. New spacecraft exercise device concepts are currently being developed for the NASAs new crew exploration vehicle. The NASA Digital Astronaut Project (DAP) uses computational modeling to help determine if the new exercise devices will be effective as countermeasures. The NASA Digital Astronaut Project is developing the ability to utilize predictive simulation to provide insight into the change in kinematics and kinetics with a change in device and gravitational environment (1-g versus 0-g). For example, in space exercise the subject's body weight is applied in addition to the loads prescribed for musculoskeletal maintenance. How and where these loads are applied obviously directly impacts bone and tissue loads. Additionally, due to space vehicle structural requirements, exercise devices are often placed on vibration isolation systems. This changes the apparent impedance or stiffness of the device as seen by the user. Data collection under these conditions is often impractical and limited. Predictive modeling provides a means to have a virtual subject to test hypotheses. Predictive simulation provides a virtual subject for which we are able to perform studies such as sensitivity to device loading and vibration isolation without the need for laboratory kinematic or kinetic test data.Direct Collocation optimization provides an efficient means to perform task based optimization and predictive modeling. It is relatively straight forward to structure a physical exercise task in a Direct Collocation mathematical formulation: perform a motion such that you start at an initial pose, achieve a given amount of deflection i.e a squat, return to the initial pose, and minimize muscle activation cost. Direct Collocation is advantageous in that it does not require numerical integration to evaluate the objective function. Instead, the system dynamics are transformed to discrete time and the optimizer is constrained such that the solution is not considered to be a valid unless the dynamic equations are satisfied at all time points. The simulation and optimization are effectively done simultaneously. Due to the implicit integration, time steps can be more coarse than in a differential equation solver. In a gait scenario this means that that the model constraints and cost function are evaluated at 100 nodes in the gait cycle versus 10,000 integration steps in a variable-step forward dynamic simulation. Furthermore, no time is wasted on accurate simulations of movements that are far from the optimum. Constrained optimization algorithms require a Jacobian matrix that contains the partial derivatives of each of the dynamic constraints with respect to of each of the state and control variables at all time points. This is a large but sparse matrix. An implicit dynamics formulation requires computation of the dynamic residuals f as a function of the states x and their derivatives, and controls u:f(x, dxdt, u) 0If the dynamics of musculoskeletal system are formulated implicitly, the Jacobian elements are often available analytically, eliminating the need for numerical differentiation; this is obviously computationally advantageous. Additionally, implicit formulation of musculoskeletal dynamics do not suffer from singularities from low mass bodies, zero muscle activation, or other stiff system or

physical exercise↗
DOE OSTI2023

Ageing and quenching through the ageing diagram: predictions from simulations and observational constraints

We study recent changes on the star-formation history (SFH) of galaxies by means of the ageing diagram (AD), tracing the fraction of stars formed during the last ∼20 Myr through the equivalent width of the Hα line and ∼1−3 Gyr through the dust-corrected optical colour ( g − r ) 0 or the Balmer break. We provide a physical characterization by using Pipe3Destimates of the SFH of Calar Alto Legacy Integral Field Area and Mapping Nearby Galaxies at Apache Point Observatory galaxies, in combination with the predictions from IllustrisTNG-100. Our results show that the AD may be divided into four domains that correlate with the stellar mass fractions formed in the last 20 Myr and 3 Gyr: ageing systems, whose star formation rate changes on scales of several Gyr, account for 70-80 per cent of the galaxy population. Objects whose SFH was abruptly truncated in the last ∼1 Gyr arrange along a detached quenched sequence that represents ∼5 - 10 per cent by (volume-corrected) number for 10 9 < M * /M ⊙ < 10 12 . Undetermined systems represent an intermediate population between the ageing and quenched regimes. Finally, Retired galaxies, dominated by old stellar populations, are located at the region in the AD where the ageing and quenched sequences converge. Defining different star formation activity levels in terms of the birth rate parameter $b\equiv \frac{SFR}{\langle SFR \rangle }$, we find that galaxies transit from the ageing to quenched sequences on scales ∼500 Myr. We conclude that the AD provides a useful tool to discern recently quenched galaxies from the dominant ageing population.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions

Many materials of interest to Sandia transition from fluid to solid or have regions of both phases coexisting simultaneously. Currently there are, unfortunately, no material models that can accurately predict this material response. This is relevant to applications that "birth stress" related to geoscience, nuclear safety, manufacturing, energy production and bioscience. Accurately capturing solidification and residual stress enables fully predictive simulations of the evolving front shape or final product. Accurately resolving flow of proppants or blood could reduce environmental impact or lead to better treatments for heart attacks, thrombosis, or aneurism. We will address a science question in this proposal: When does residual stress develop during the critical transition from liquid to solid and how does it affect material deformation? Our hypothesis is that these early phases of stress development are critical to predictive simulation of material performance, net shape, and aging. In this project, we use advanced constitutive models with yield stress to represent both fluid and solid behavior simultaneously. The report provides an abbreviated description of the results from our LDRD "Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions," since we have written four papers that document the work in detail and which we reference. We give highlights of the work and describe the gravitationally driven flow visualization experiment on a model yield stress fluid, Carbopol, at various concentrations and flow rates. We were able to collapse the data on a single master curve by showing it was self-similar. We also describe the Carbopol rheology and the constitutive equations of interest including the Bingham-Carreau-Yasuda model, the Saramito model, and the HB-Saramito model including parameter estimation for the shear and oscillatory rheology. We present several computational models including the 3D moving mesh simulations of both the Saramito models and Bingham-Carreau-Yasuda (BCY) model. We also show results from the BCY model using a 3D level set method and two different ways of handling reduced order Hele-Shaw modeling for generalized Newtonian fluids. We present some first ever two-dimensional results for the modified Jeffries Kamani-Donley-Rogers constitutive equation developed during this project. We include some recent results with a successful Saramito-level set coupling that allows us to tackle problems with complex geometries like mold filling in a thin gap with an obstacle, without the need for remeshing or remapping. We report on some experiments for curing systems where fluorescent particles are used to track material flow. These experiments were carried out in an oven on Sylgard 184 as a model polymerizing system. We conclude the report with a summary of accomplishments and some thoughts on follow-on work.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Nonlinear Dynamic Inversion Baseline Control Law: Flight-Test Results for the Full-scale Advanced Systems Testbed F/A-18 Airplane

A model reference nonlinear dynamic inversion control law has been developed to provide a baseline controller for research into simple adaptive elements for advanced flight control laws. This controller has been implemented and tested in a hardware-in-the-loop simulation and in flight. The flight results agree well with the simulation predictions and show good handling qualities throughout the tested flight envelope with some noteworthy deficiencies highlighted both by handling qualities metrics and pilot comments. Many design choices and implementation details reflect the requirements placed on the system by the nonlinear flight environment and the desire to keep the system as simple as possible to easily allow the addition of the adaptive elements. The flight-test results and how they compare to the simulation predictions are discussed, along with a discussion about how each element affected pilot opinions. Additionally, aspects of the design that performed better than expected are presented, as well as some simple improvements that will be suggested for follow-on work.

Miller, Christopher J.↗
DOE OSTI2024

Orbital-Free Quantum Simulation Methods for Application to Warm Dense Matter (Final Technical Report)

Predictive simulations for prediction of condensed system behavior in state conditions far from ambient is increasingly crucial to DOE priorities. Warm dense matter (WDM) is the paradigm: temperature T > 1-15 eV, pressures P to 1 Mbar or greater. Experiments under such state conditions are difficult and costly. We summarize work driven by the need and opportunity to make free-energy density functional theory (DFT) as powerful a tool for ab initio simulation of matter under such extreme conditions as ground state DFT is for ordinary matter Advancing orbital-free DFT (OF-DFT) to eliminate the Kohn-Sham (KS) scaling bottleneck in such simulations is the other priority. The concurrent challenge for both goals is the intrinsic complexity of WDM. We summarize 15 years of successes and major progress on (1) free energy exchange-correlation functionals; (2) non-interacting free energy functionals (counterpart to T=0 Kohn-Sham kinetic energy density functionals); (3) rigorous results and constraints for free-energy DFT; (4) software for free energy DFT calculations in both conventional Kohn-Sham and OF-DFT form; (5) de-orbitalization of advanced orbital-dependent ground state functionals for use in OF-DFT; (6) demonstration calculations; (7) ancillary achievements (e.g. major review articles, secondary explorations motivated by primary goals).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Formation of LiF Surface Layer During Direct Fluorination of High-Capacity Co-Free Disordered Rocksalt Cathodes

Disordered rocksalt (DRX) cathodes have attracted interest due to their high capacity and compositional flexibility (e.g., Co-free chemistries). However, the sloping voltage profile and gradual capacity fade during cycling have hindered widespread adoption of these materials. Simulations predict that fluorine substitution in DRX cathodes will improve their capacity, rate performance and cyclability. In this study we use a fluidized bed reactor to fluorinate a model Lirich DRX composition (Li1.15Ni0.375Ti0.375Mo0.1O2, NTMO) to investigate how fluorine content impacts the cathode’s structure and electrochemical performance. Instead of substituting O with F to form oxyfluoride phases, direct fluorination of DRX cathodes leads to formation of LiF surface films which improves the specific energy and capacity retention. This study demonstrates the feasibility of direct fluorination to improve the electrochemical performance of high voltage cathodes by tuning the material’s surface chemistry.

Co-free disordered rock-salt cathode, direct fluor↗
NASA NTRSDate not supplied

Assessing the Impact of SMAP Soil Moisture Data Assimilation on the Simulation and Prediction of Tropical Cyclone Idai

The role of soil moisture in the evolution of tropical cyclones (TCs) approaching land has long been recognized. Dry land surface conditions can lead to faster dissipation of a TC over land (often associated with changes in precipitation structure), whereas very wet conditions can help sustain or even re-intensify a TC. The ability to forecast post-landfall TC evolution and mitigate the associated socio-economic impact thus hinges on accurate knowledge of land surface conditions prior to landfall. The NASA Soil Moisture Active Passive (SMAP) mission provides accurate observations of soil moisture globally and at high revisit times of 2-3 days. It has been shown that the assimilation of SMAPbrightness temperatures (Tb) significantly improves modeled land surface states and thus has the potential to constrain land surface initial conditions in TC forecasts. In this presentation, we investigate this potential through an extensive set of Observing System Experiments that systematically assess the impact of assimilating SMAP Tbs on TC forecast skill in the Goddard Earth Observing System. Focusing on the case of TC Idai, we show that the assimilation of SMAP generally leads to a drier soil moisture analysis for the land surface underneath much of the storm’s circulation. An exception is the direct TC track, where SMAP assimilation increases soil moisture. These changes are reflected in the surface fluxes, which propagate the land surface state changes to the atmosphere. This results a TC that is overall weaker with lower winds, but with a better-defined eye and a slightly smaller track error than a simulation without SMAP DA. The changes in soil moisture resulting from the assimilation of SMAP also impact the total precipitation amounts as well as the precipitation structure associated with TC Idai.

SMAP↗
NASA NTRS2014

Spring 2014 Internship Diffuser Data Analysis

J-2X engine testing on the A-2 test stand at the NASA John C. Stennis Space Center (SSC) has recently concluded. As part of that test campaign, the engine was operated at lower power levels in support of expanding the use of J-2X to other missions. However, the A-2 diffuser was not designed for engine testing at the proposed low power levels. To evaluate the risk of damage to the diffuser, computer simulations were created of the rocket engine exhaust plume inside the 50ft long, water-cooled, altitude-simulating diffuser. The simulations predicted that low power level testing would cause the plume to oscillate in the lower sections of the diffuser. This can possibly cause excessive vibrations, stress, and heat transfer from the plume to the diffuser walls. To understand and assess the performance of the diffuser during low power level engine testing, nine accelerometers and four strain gages were installed around the outer surface of the diffuser. The added instrumentation also allowed for the verification of the rocket exhaust plume computational model. Prior to engine hot-fire testing, a diffuser water-flow test was conducted to verify the proper operation of the newly installed instrumentation. Subsequently, two J-2X engine hot-fire tests were completed. Hot-Fire Test 1 was 11.5 seconds in duration, and accelerometer and strain data verified that the rocket engine plume oscillated in the lower sections of the diffuser. The accelerometers showed very different results dependent upon location. The diffuser consists of four sections, with Section 1 being closest to the engine nozzle and Section 4 being farthest from the engine nozzle. Section 1 accelerometers showed increased amplitudes at startup and shutdown, but low amplitudes while the diffuser was started. Section 3 accelerometers showed the opposite results with near zero G amplitudes prior to and after diffuser start and peak amplitudes to +/- 100G while the diffuser was started. Hot-Fire Test 1 strain gages showed different data dependent on section. Section 1 strains were small, and were in the range of 50 to 150 microstrain, which would result in stresses from 1.45 to 4.35 ksi. The yield stress of the material, A-285 Grade C Steel, is 29.7 ksi. Section 4 strain gages showed much higher values with strains peaking at 1600 microstrain. This strain corresponds to a stress of 46.41 ksi, which is in excess of the yield stress, but below the ultimate stress of 55 to 75 ksi. The decreased accelerations and strain in Section 1, and the increased accelerations and strain in Sections 3 and 4 verified the computer simulation prediction of increased plume oscillations in the lower sections of the diffuser. Hot-Fire Test 2 ran for a duration of 125 seconds. The engine operated at a slightly higher power level than Hot-Fire Test 1 for the initial 35 seconds of the test. After 35 seconds the power level was lowered to Hot-Fire Test 1 levels. The acceleration and strain data for Hot-Fire Test 2 was similar during the initial part of the test. However, just prior to the engine being lowered to the Hot-Fire Test 1 power level, the strain gage data in Section 4 showed a large decrease to strains near zero microstrain from their peak at 1500 microstrain. Future work includes further strain and acceleration data analysis and evaluation.

Laigaie, Robert T.↗
DOE OSTI2024

Versatile stochastic model for predictive KMC simulation of fcc metal nanostructure evolution with realistic kinetics

Stochastic lattice-gas models provide the natural framework for analysis of the surface diffusion-mediated evolution of crystalline metal nanostructures on the appropriate time scale (often 10 1 –10 4 s) and length scale. Model behavior can be precisely assessed by kinetic Monte Carlo simulation, typically incorporating a rejection-free algorithm to efficiently handle the broad range of Arrhenius rates for hopping of surface atoms. The model should realistically prescribe these rates, or the associated barriers, for a diversity of local surface environments. However, commonly used generic choices for barriers fail, even qualitatively, to simultaneously describe diffusion for different low-index facets, for terrace vs step edge diffusion, etc. We introduce an alternative Unconventional Interaction–Conventional Interaction formalism to prescribe these barriers, which, even with few parameters, can realistically capture most aspects of behavior. Here, the model is illustrated for single-component fcc metal systems, mainly for the case of Ag. It is quite versatile and can be applied to describe both the post-deposition evolution of 2D nanostructures in homoepitaxial thin films (e.g., reshaping and coalescence of 2D islands) and the post-synthesis evolution of 3D nanocrystals (e.g., reshaping of nanocrystals synthesized with various faceted non-equilibrium shapes back to 3D equilibrium Wulff shapes).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Simulation of Deuterium Oxidation in a Room with a Fire

A series of experiments where deuterium was released in trace amounts into a room with a fire were performed at Sandia National Laboratories. This report describes the corresponding effort to model the test series using SIERRA/FUEGO. The objective of this modeling effort was to produce a simulation test matrix that can be utilized to help interpret the corresponding experiments and be used to assess the credibility of using the SIERRA/FUEGO simulations as a surrogate for real tritium reaction data for mock fire and release studies. The simulations assessed multiple configurations of fire size and location and overall found that there was low conversion of deuterium to oxidized deuterium. There are some notable differences between the simulation predictions and the experimental results, such as the simulations generally predicting higher amounts of deuterium conversion compared to the experiment. A strategy to address modeling uncertainties and unknowns is also given in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Measurement of charged-current $\nu_\mu$ and $\bar{\nu}_\mu$ cross sections on hydrocarbon in a shallow inelastic scattering region

This MINERvA analysis is the first neutrino and antineutrino study of a shallow inelastic scattering region, which is the transition region between resonant production and deep inelastic scattering processes. This transition is explicitly included in this study by expanding the scope of shallow inelastic scattering to include not only the mainly lower-$Q^2$ nonresonant pion production but also the kinematic region where pion production off quarks within the nucleon becomes significant with $Q^2$ below the onset of the deep-inelastic scattering region defined in this analysis. To reduce the resonance background the kinematic region 1.5 $<$$W$$<$ 2 GeV/$c^2$ was chosen. In addition to the inclusive differential cross section measurements, to emphasize SIS interactions off quarks within the nucleon a sample with $Q^2$$\geq$ 1 GeV/$c^2$ was also analyzed. The measurements of one-dimensional cross sections at $\left\langle E_\nu \right\rangle \sim 6$ GeV on hydrocarbon of $Q^2$, Bjorken x and muon momentum variables are compared with modified predictions from the GENIE 2 neutrino generator as well as predictions of other neutrino simulators GiBUU, NEUT, NuWro and an alternative GENIE 3 version. Significant discrepancies both in shape and magnitude between measurements and neutrino simulator predictions of all variables have been observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1979

Numerical prediction experiments simulating the impact of mesoscale satellite data

Recent developments in mesometeorology are summarized to place this research in perspective. Recent advances in computer analysis and forecast system development that provide the basis for the simulation tests are discussed. The impact of NIMBUS-6 humidity data on analyses off the West Coast are shown and incorporation of geopotential gradient data is discussed. Experiments to demonstrate the feasibility of incorporating satellite-derived wind fields in mesoscale severe storm models are mentioned briefly.

Kreitzberg, C. W.↗