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NASA NTRS1993

A systems approach to a DSMC calculation of a control jet interaction experiment

This study deals with the development of a methodology for numerically simulating the interaction of a reaction control system (RCS) jet with a low-density external flow. A European Space Agency (ESA) experiment was chosen as a test case since it provided experimental data that could validate some of the numerical results. The initial approach was to focus on several subproblems having direct relevance to the full interaction problem. This enabled different numerical methods to be separately investigated and validated for each part of the interaction problem. In this manner, the best methodology for solving the full interaction problem was developed. The subproblems considered in this study included typical RCS nozzle and plume flows, a flat plate at zero incidence, and the flow past the experimental test model without the control jet firing. Once these calculations were completed, a simulation was performed with a control jet operating at a relatively low density. The results from this latter simulation provided qualitative insight into the complex interaction process.

Tartabini, Paul V.↗

NASA NTRSDate not supplied

The VATMOS-SR Mission Concept: DSMC Studies of the Gas Sampling

VATMOS-SR (Venus ATMOSpheric - Sample Return) is a small spacecraft mission concept that would return a gas sample from the upper atmosphere of Venus to Earth for scientific analysis. This could be the first sample return mission for an extra-terrestrial atmosphere and potentially the first sample return from an Earth-sized planet. The VATMOS-SR mission concept consists of a SmallSat atmospheric sampling probe (45 deg. sphere/cone geometry, <1 m diameter) that is designed to skim through the Venus upper atmosphere and acquire gas samples below the homopause altitude (around ~110 km altitude), where the different atmospheric gases are mixed. The velocity of the spacecraft where sampling would occur is expected to be between ~10.5 km/s and ~13.1 km/s, depending on the trajectory chosen. This presentation will discuss hypervelocity sampling in the upper atmosphere of Venus with respect to the VATMOS-SR mission concept. VATMOS-SR would enable critical atmospheric measurements to form a complete picture of how, why, and when Venus evolved to be so different from Earth and Mars. The abundances and isotopic compositions of volatile elements (such as N, C, S, O, and the noble gases) in planetary atmospheres record volatile delivery during accretion, outgassing from planetary interiors, and atmospheric loss to space. Precise and accurate determinations of volatile atmospheric signatures are the key to understanding the origins and geodynamical evolution of Venus compared to the other terrestrial planets. Hypersonic sampling poses unique technical and scientific challenges. To ensure it is possible to relate the composition of the sampled gases to the free stream atmospheric composition, large-scale numerical simulations are employed to model the flow through the VATMOS-SR sampling system. In particular, an emphasis is placed on quantifying noble gas isotopic fractionation that occurs during the sample acquisition and transfer process to determine how measured isotopic ratios of noble gases in the sample compared to actual isotopic ratios in the Venusian atmosphere. The Direct Simulation Monte Carlo (DSMC) code SPARTA, an open-source software package developed by Sandia National Laboratories, is used in this work. SPARTA, based on Bird’s DSMC method, is a molecular-level gas-kinetic technique. As SPARTA is able to model hypervelocity reacting flows in strong chemical and thermal non-equilibrium, this software package is well suited to determine relevant flow properties for the VATMOS-SR mission concept and to numerically quantify the expected level of elemental and/or isotopic fractionation in the sample acquired by VATMOS-SR. This presentation will show results from 3D simulations correlating the noble gas isotopic fractionation in the gas acquired at hypervelocity speeds to its ambient atmosphere value. In particular, emphasis will be placed on Xenon isotopes of masses 128 and 130, as precise measurements of that ratio would yield comparison to Earth’s atmosphere. Additionally, sensitivity studies that quantify the uncertainties due to the freestream parameters, as well as the modeling parameters, will be performed.

direct simulation Monte Carlo↗

DOE OSTI2024

Use of tritium-rich fuel to improve the yield of layered deuterium/tritium inertial fusion capsules

In deuterium–tritium (DT) ice layered implosions, nearly all hot spot mass at peak burn comes from the dense fuel. Accurate prediction of the fuel mass ablation, including the enthalpy associated with mass inflow into the hot spot from the dense fuel, is essential to understanding the energetics and ignition of the hot spot in layered implosions. A recently published boundary layer analysis (Daughton et al., 2023) indicates a faster mass ablation rate than in previous analyses of layered implosions. Inclusion of this effect provides a better match to simulations and leads to a new ignition threshold where the temperature of the dense fuel plays a critical role. This analysis motivates possible new directions for improved capsule performance. Here, the authors present evidence in support of one such approach: the use of tritium-rich ice to decrease 14 MeV neutron scattering and heating of the dense fuel, resulting in less mass ablation and more robust burn of the hot spot. It is found from numerical simulations that despite a less favorable D:T ratio in the ice, the use of a 40:60 D:T ratio leads to an increase in capsule yield of 17% percent compared with that of a 50:50 D:T ratio fuel for capsules resembling those of the recent N210808 ignition experiment on the NIF (Abu-Shawareb et al., 2022) and an increase of 74% compared with that of a 60:40 D:T ratio fuel capsule. Finally, these results are potentially important for modeling all layered implosions, since some degree of DT fractionization may arise naturally during the beta layering process. In addition, this physics is important for the feasibility of high-gain capsule designs that seek to minimize tritium usage, as in some inertial fusion energy concepts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Simulations of Fuel-Air Mixing in a 7 Element Lean Direct Injection (LDI) Aviation Combustor

The increased accessibility of commercial aviation to the general population has in-creased the conventional jet fuel consumption, thereby causing increased CO2 emissions. One of the strategies to reduce the environmental impact is to use sustainable aviation fuels (SAFs). SAFs are jet fuels obtained from renewable resources such as biomass and waste streams such as plastics/municipal solid wastes. Even though the use of SAFs has been gaining importance over the last two decades, only a few numerical studies on their usage have been reported so far. In this study, two SAFs namely, Alcohol to Jet (ATJ) and Hydrotreated Esters and Fatty Acids (HEFA), are chosen and their use in a simple, Lead Direct Injection (LDI) combustor is studied. The focus of this study is limited to the thermo-chemical properties of the fuels and their impact on fuel distribution and evaporation. Hence, only non-reactive simulations are performed. A high accuracy, adaptive mesh refinement based low-Mach solver, PeleLMeX, is used for performing the simulations. The time-averaged flow results indicate faster evaporation of HEFA when compared to ATJ and Jet-A. The difference in fuel evaporation rates is attributed to the differences in fuel viscosity and surface tension properties and the concomitant variations in the fuel droplet size distributions.

adaptive mesh refinement↗

DOE OSTI2023

Simulations of Fuel-Air Mixing in a 7 Element Lean Direct Injection (LDI) Aviation Combustor: Preprint

The increased accessibility of commercial aviation to the general population has in-creased the conventional jet fuel consumption, thereby causing increased CO2emissions. One of the strategies to reduce the environmental impact is to use sustainable aviation fuels (SAFs). SAFs are jet fuels obtained from renewable resources such as biomass and waste streams such as plastics/municipal solid wastes. Even though the use of SAFs has been gaining importance over the last two decades, only a few numerical studies on their usage have been reported so far. In this study, two SAFs namely, alcohol to jet (ATJ) and hydrotreated esters and fatty acids (HEFA), are chosen and their use in a simple, lead direct injection (LDI) combustor is studied. The focus of this study is limited to the thermo-chemical properties of the fuels and their impact on fuel distribution and evaporation. Hence, only non-reactive simulations are performed. A high accuracy, adaptive mesh refinement based low-Mach solver, PeleLMeX, is used for performing the simulations. The time-averaged flow results indicate faster evaporation of HEFA when compared to ATJ and Jet-A. The difference in fuel evaporation rates is attributed to the differences in fuel viscosity and surface tension properties and the concomitant variations in the fuel droplet size distributions.

adaptive mesh refinement↗

DOE OSTI2021

Impact of Numerical Hydrodynamics in Turbulent Mixing Transition Simulations

Underresolved simulations are unavoidable in high Reynolds (Re) and Mach (Ma) number turbulent flow applications at scale. Implicit large-Eddy simulation (ILES) often becomes the effective strategy to capture the dominating effects of convectively driven flow instabilities. We evaluate the impact of three distinct numerical strategies in simulations of transition and turbulence decay with ILES: the Harten–Lax–van Leer (HLL) Riemann solver applying Strang splitting and a Lagrange-plus-Remap formalism to solve the directional sweep—denoted split; the Harten–Lax–Van Leer-Contact (HLLC) Riemann solver using a directionally unsplit strategy and parabolic reconstruction—denoted unsplit; and the HLLC Riemann solver using unsplit and a low-Ma correction (LMC)—denoted unsplit*. Three case studies are considered: (1) a shock tube problem prototyping shock-driven turbulent mixing, (2) the Taylor–Green Vortex (TGV) prototyping transition to turbulence, and, (3) an homogeneous isotropic turbulence (HIT) case, focusing on the impact of discretization on transition and decay from fixed well-characterized initial conditions. Significantly more accurate predictions are provided by the unsplit schemes, in particular, when augmented with the LMC. For given resolution, only the unsplit schemes predict the turbulent mixing transition after reshock observed in the shock tube experiments. Relevant comparisons of ILES based on Euler and Navier–Stokes equations addressing potential occurrence of low-Re regimes in the applications are presented. Unsplit schemes are instrumental in allowing to capture the spatial development of the TGV flow and its validation at prescribed Re with significantly less resolution. HIT analysis confirms higher simulated turbulence Re and increased small-scale content associated with the unsplit discretizations.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Large eddy simulation of flow through an axisymmetric sudden expansion

Here, this study aims at investigating the inlet flow conditions of flow through an axisymmetric sudden expansion with an expansion ratio of 2.0. A series of large eddy simulations with the WALE model were conducted for different inlet Reynolds numbers ( Re) and turbulence intensities ($u_{rms}/\bar{U}_m$). The reattachment length, defined as the length measured downstream of the expansion where the flow direction is reversed adjacent to the wall ( Lr), was measured for each case. For widely studied inlet turbulence intensity values (TI), the simulation results are in good agreement with the experimental and numerical results reported in the literature. Parametric studies revealed that turbulence intensity affects the critical Reynolds number, marking the transition between the laminar and transition regions and the reattachment length. The critical Reynolds number was found to decrease with increasing turbulence intensity. A correlation expression is proposed. Additional analysis with proper orthogonal decomposition was performed to enhance the understanding of complex flow structures downstream of the expansion. Finally, an overall correlation expression for the reattachment length was obtained for 500 ≤ Re ≤15 000 and 0.2 ≤ TI (%) ≤ 20. For a given turbulence intensity, the reattachment length can be expressed for laminar and turbulent regions as a function of the Reynolds number. The reattachment length in the transition region can be expressed as a fractional average of reattachment lengths for laminar and turbulent flows.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1989

Acoustic wave propagation in heterogeneous structures including experimental validation

A finite element model was developed to solve for the acoustic pressure and energy fields in a heterogeneous suppressor. The derivations from the governing equations assumed that the material properties could vary with position resulting in a heterogeneous variable property two-dimensional wave equation. This eliminated the necessity of finding the boundary conditions between different materials. For a two media region consisting of part air and part bulk absorber, a model was used to describe the bulk absorber properties in two directions. Complex metallic structures inside the air duct are simulated by simply changing element properties from air to the structural material in a pattern to describe the desired shapes. To verify the numerical theory, experiments were conducted without flow in a rectangular duct with a single folded cavity mounted above the duct and absorbing material mounted inside a cavity. Changes in a nearly plane wave sound field were measured on the wall opposite the absorbing cavity. Fairly good agreement was found in the standing wave pattern upstream of the absorber and in the decay of pressure level opposite the absorber, as a function of distance along the duct. The finite element model provides a convenient method for evaluating the acoustic properties of bulk absorbers.

Baumeister, Kenneth J.↗

NASA NTRS1989

Acoustic wave propagation in heterogeneous structures including experimental validation

A finite element model was developed to solve for the acoustic pressure and energy fields in a heterogeneous suppressor. The derivations from the governing equations assumed that the material properties could vary with position resulting in a heterogeneous variable property two-dimensional wave equation. This eliminated the necessity of finding the boundary conditions between different materials. For a two-media region consisting of part air and part bulk absorber, a model was used to describe the bulk absorber properties in two directions. Complex metallic structures inside the air duct are simulated by simply changing element properties from air to the structural material in a pattern to describe the desired shapes. To verify the numerical theory, experiments were conducted without flow in a rectangular duct with a single folded cavity mounted above the duct and absorbing material mounted inside a cavity. Changes in a nearly plane wave sound field were measured on the wall opposite the absorbing cavity. Fairly good agreement was found in the standing wave pattern upstream of the absorber and in the decay of pressure level opposite the absorber, as a function of distance along the duct. The finite element model provides a convenient method for evaluating the acoustic properties of bulk absorbers.

Baumeister, Kenneth J.↗

NASA NTRS1991

Pressure measurements in a low-density nozzle plume for code verification

Measurements of Pitot pressure were made in the exit plane and plume of a low-density, nitrogen nozzle flow. Two numerical computer codes were used to analyze the flow, including one based on continuum theory using the explicit MacCormack method, and the other on kinetic theory using the method of direct-simulation Monte Carlo (DSMC). The continuum analysis was carried to the nozzle exit plane and the results were compared to the measurements. The DSMC analysis was extended into the plume of the nozzle flow and the results were compared with measurements at the exit plane and axial stations 12, 24 and 36 mm into the near-field plume. Two experimental apparatus were used that differed in design and gave slightly different profiles of pressure measurements. The DSMC method compared well with the measurements from each apparatus at all axial stations and provided a more accurate prediction of the flow than the continuum method, verifying the validity of DSMC for such calculations.

Penko, Paul F.↗

NASA NTRS1991

Pressure measurements in a low-density nozzle plume for code verification

Penko, Paul F.↗

NASA NTRS1991

Estimation variance bounds of importance sampling simulations in digital communication systems

In practical applications of importance sampling (IS) simulation, two basic problems are encountered, that of determining the estimation variance and that of evaluating the proper IS parameters needed in the simulations. The authors derive new upper and lower bounds on the estimation variance which are applicable to IS techniques. The upper bound is simple to evaluate and may be minimized by the proper selection of the IS parameter. Thus, lower and upper bounds on the improvement ratio of various IS techniques relative to the direct Monte Carlo simulation are also available. These bounds are shown to be useful and computationally simple to obtain. Based on the proposed technique, one can readily find practical suboptimum IS parameters. Numerical results indicate that these bounding techniques are useful for IS simulations of linear and nonlinear communication systems with intersymbol interference in which bit error rate and IS estimation variances cannot be obtained readily using prior techniques.

Lu, D.↗

NASA NTRS2013

Further Development of Rotating Rake Mode Measurement Data Analysis

The Rotating Rake mode measurement system was designed to measure acoustic duct modes generated by a fan stage. After analysis of the measured data, the mode amplitudes and phases were quantified. For low-speed fans within axisymmetric ducts, mode power levels computed from rotating rake measured data would agree with the far-field power levels on a tone by tone basis. However, this agreement required that the sound from the noise sources within the duct propagated outward from the duct exit without reflection at the exit and previous studies suggested conditions could exist where significant reflections could occur. To directly measure the modes propagating in both directions within a duct, a second rake was mounted to the rotating system with an offset in both the axial and the azimuthal directions. The rotating rake data analysis technique was extended to include the data measured by the second rake. The analysis resulted in a set of circumferential mode levels at each of the two rake microphone locations. Radial basis functions were then least-squares fit to this data to obtain the radial mode amplitudes for the modes propagating in both directions within the duct. The fit equations were also modified to allow evanescent mode amplitudes to be computed. This extension of the rotating rake data analysis technique was tested using simulated data, numerical code produced data, and preliminary in-duct measured data.

Dahl, Milo D.↗

NASA NTRS2001

Multimodal Neuroelectric Interface Development

This project aims to improve performance of NASA missions by developing multimodal neuroelectric technologies for augmented human-system interaction. Neuroelectric technologies will add completely new modes of interaction that operate in parallel with keyboards, speech, or other manual controls, thereby increasing the bandwidth of human-system interaction. We recently demonstrated the feasibility of real-time electromyographic (EMG) pattern recognition for a direct neuroelectric human-computer interface. We recorded EMG signals from an elastic sleeve with dry electrodes, while a human subject performed a range of discrete gestures. A machine-teaming algorithm was trained to recognize the EMG patterns associated with the gestures and map them to control signals. Successful applications now include piloting two Class 4 aircraft simulations (F-15 and 757) and entering data with a "virtual" numeric keyboard. Current research focuses on on-line adaptation of EMG sensing and processing and recognition of continuous gestures. We are also extending this on-line pattern recognition methodology to electroencephalographic (EEG) signals. This will allow us to bypass muscle activity and draw control signals directly from the human brain. Our system can reliably detect P-rhythm (a periodic EEG signal from motor cortex in the 10 Hz range) with a lightweight headset containing saline-soaked sponge electrodes. The data show that EEG p-rhythm can be modulated by real and imaginary motions. Current research focuses on using biofeedback to train of human subjects to modulate EEG rhythms on demand, and to examine interactions of EEG-based control with EMG-based and manual control. Viewgraphs on these neuroelectric technologies are also included.

Trejo, Leonard J.↗

DOE OSTI2021

Deep Learning Approaches to Surrogates for Solving the Diffusion Equation for Mechanistic Real-World Simulations

In many mechanistic medical, biological, physical, and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs), especially for diffusion, fluid flow and mechanical relaxation, can make simulations impractically slow. Biological models of tissues and organs often require the simultaneous calculation of the spatial variation of concentration of dozens of diffusing chemical species. One clinical example where rapid calculation of a diffusing field is of use is the estimation of oxygen gradients in the retina, based on imaging of the retinal vasculature, to guide surgical interventions in diabetic retinopathy. Furthermore, the ability to predict blood perfusion and oxygenation may one day guide clinical interventions in diverse settings, i.e., from stent placement in treating heart disease to BOLD fMRI interpretation in evaluating cognitive function (Xie et al., 2019; Lee et al., 2020). Since the quasi-steady-state solutions required for fast-diffusing chemical species like oxygen are particularly computationally costly, we consider the use of a neural network to provide an approximate solution to the steady-state diffusion equation. Machine learning surrogates, neural networks trained to provide approximate solutions to such complicated numerical problems, can often provide speed-ups of several orders of magnitude compared to direct calculation. Surrogates of PDEs could enable use of larger and more detailed models than are possible with direct calculation and can make including such simulations in real-time or near-real time workflows practical. Creating a surrogate requires running the direct calculation tens of thousands of times to generate training data and then training the neural network, both of which are computationally expensive. Often the practical applications of such models require thousands to millions of replica simulations, for example for parameter identification and uncertainty quantification, each of which gains speed from surrogate use and rapidly recovers the up-front costs of surrogate generation. We use a Convolutional Neural Network to approximate the stationary solution to the diffusion equation in the case of two equal-diameter, circular, constant-value sources located at random positions in a two-dimensional square domain with absorbing boundary conditions. Such a configuration caricatures the chemical concentration field of a fast-diffusing species like oxygen in a tissue with two parallel blood vessels in a cross section perpendicular to the two blood vessels. To improve convergence during training, we apply a training approach that uses roll-back to reject stochastic changes to the network that increase the loss function. The trained neural network approximation is about 1000 times faster than the direct calculation for individual replicas. Because different applications will have different criteria for acceptable approximation accuracy, we discuss a variety of loss functions and accuracy estimators that can help select the best network for a particular application. We briefly discuss some of the issues we encountered with overfitting, mismapping of the field values and the geometrical conditions that lead to large absolute and relative errors in the approximate solution.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

A comprehensive numerical investigation on spray models for Direct-Injection Spark-Ignition engines

Gasoline direct-injection spark-ignition (DISI) engines generate a large portion of their unburned hydrocarbon (UHC) and soot emissions during the cold-start phase. A predictive computational fluid dynamics (CFD) modeling framework can be used to understand the physical processes that characterize fuel spray evolution and fuel-film formation at cold start conditions, which can help to reduce engine-out particulate emissions. This study systematically evaluated spray submodels and developed a set of simulation best practices for physical-numerical submodels with the goal of enabling accurate simulations of liquid spray behavior in a DISI engine. Three comprehensive experimental datasets containing free-spray projected liquid volume (PLV), liquid volume fraction (LVF), and near-field X-ray radiography data were used to validate the simulation results and evaluate the spray submodels. Systematic analysis delved into injected parcel distribution, droplet collision, spray breakup, and evaporation via a detailed assessment of the relevant spray submodels. Moreover, the effects of turbulence models and the initial turbulent flow properties on the liquid spray evolution were examined. Based on extensive calibration efforts, a set of simulation best practices for the free spray was developed and validated against the PLV/LVF data. Simulation results indicated that the uniform distribution for parcel initialization, coupled with appropriate droplet collision submodels, provides an improved spray morphology compared to the cluster distribution. The findings also underscored the importance of calibrating the Kelvin-Helmholtz Rayleigh-Taylor (KH-RT) breakup model constants and droplet heat transfer coefficient scaling factor to achieve favorable agreement regarding measured liquid penetration and spray widths. In conclusion, this study marks a substantial stride towards accurately predicting fuel film evolution and soot formation within DISI engine performance.

ECN Spray G↗

DOE OSTI2024

Prospects for direct detection of black hole formation in neutron star mergers with next-generation gravitational-wave detectors

A direct detection of black hole formation in neutron star mergers would provide invaluable information about matter in neutron star cores and finite temperature effects on the nuclear equation of state. We study black hole formation in neutron star mergers using a set of 190 numerical relativity simulations consisting of long-lived and black-hole-forming remnants. The postmerger gravitational-wave spectrum of a long-lived remnant has greatly reduced power at a frequency 𝑓 greater than 𝑓 peak , for 𝑓 ≳ 4 kHz, with 𝑓 peak ∈ [2.5,4] kHz. On the other hand, black-hole-forming remnants exhibit excess power in the same large 𝑓 region and manifest exponential damping in the time domain characteristic of a quasinormal mode. We demonstrate that the gravitational-wave signal from a collapsed remnant is indeed a quasinormal ringing. We report on the opportunity for direct detections of black hole formation with next-generation gravitational-wave detectors such as Cosmic Explorer and Einstein Telescope and set forth the tantalizing prospect of such observations up to a distance of 100 Mpc for an optimally oriented and located source with an SNR of 4.

Astronomy & Astrophysics↗

DOE OSTI2022

Multi-dimensional modeling of mixture preparation in a direct injection engine fueled with gaseous hydrogen

With the recent advances of direct injection (DI) technology, introducing hydrogen into the combustion chamber through DI is being considered as a viable approach to circumvent backfire and pre-ignition encountered in early generations of hydrogen engines. As part of a broader vision to develop a robust numerical model to study hydrogen spark ignition (SI) combustion in internal combustion (IC) engines, the present numerical investigation focuses on mixture preparation in a hydrogen DI SI engine. This study is carried out with a single hole injector with gaseous hydrogen injected at 100 bar injection pressure. Simulations are carried out for high and low tumble configurations and validated against optical data acquired from planar laser induced fluorescence (PLIF) measurements. Varying mesh configurations are investigated for the impact on in-cylinder mixture distribution. A particular emphasis is placed on the effect of nozzle geometry and mesh orientation near the wall. Overall, the computational model is found to predict the mixture distribution in the combustion cylinder reasonably well. The results showed that the alignment of mesh with the flow direction is important to achieve good agreement between numerical analysis and optical measurement data.

08 HYDROGEN↗