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NASA NTRS2008

Simulation of Ground Winds Time Series for the NASA Crew Launch Vehicle (CLV)

Simulation of wind time series based on power spectrum density (PSD) and spectral coherence models for ground wind turbulence is described. The wind models, originally developed for the Shuttle program, are based on wind measurements at the NASA 150-m meteorological tower at Cape Canaveral, FL. The current application is for the design and/or protection of the CLV from wind effects during on-pad exposure during periods from as long as days prior to launch, to seconds or minutes just prior to launch and seconds after launch. The evaluation of vehicle response to wind will influence the design and operation of constraint systems for support of the on-pad vehicle. Longitudinal and lateral wind component time series are simulated at critical vehicle locations. The PSD model for wind turbulence is a function of mean wind speed, elevation and temporal frequency. Integration of the PSD equation over a selected frequency range yields the variance of the time series to be simulated. The square root of the PSD defines a low-pass filter that is applied to adjust the components of the Fast Fourier Transform (FFT) of Gaussian white noise. The first simulated time series near the top of the launch vehicle is the inverse transform of the adjusted FFT. Simulation of the wind component time series at the nearest adjacent location (and all other succeeding next nearest locations) is based on a model for the coherence between winds at two locations as a function of frequency and separation distance, where the adjacent locations are separated vertically and/or horizontally. The coherence function is used to calculate a coherence weighted FFT of the wind at the next nearest location, given the FFT of the simulated time series at the previous location and the essentially incoherent FFT of the wind at the selected location derived a priori from the PSD model. The simulated time series at each adjacent location is the inverse Fourier transform of the coherence weighted FFT. For a selected design case, the equations, the process and the simulated time series at multiple vehicle stations are presented.

Adelfang, Stanley I.↗

DOE OSTI2024

Interleaved Cuk Converter Wave Energy System With Advanced Control and Grid Support Functions for Seamless Integration: Preprint

This paper presents an innovative wave energy conversion system employing an interleaved Cuk converter and advanced nonlinear control for seamless integration with the grid. The proposed system utilizes the interleaved Cuk converter for efficient power extraction on the DC side, while an inverter facilitates power transfer to the grid or load on the AC side. A sophisticated nonlinear control architecture based on Lyapunov energy functions ensures stable and optimal operation under varying wave conditions. Case study results demonstrate the effectiveness of the proposed system, highlighting its ability to efficiently harness wave energy and seamlessly integrate with the grid, thus paving the way for sustainable and reliable renewable energy generation. The overall system is verified via computer simulations based on MATLAB/Simulink and various case study results are presented.

HYDRO ENERGY,TIDAL AND WAVE POWER↗

DOE OSTI2022

Microscale THMC Modeling of Pressure Solution in Salt Rock: Impacts of Geometry and Temperature

Abstract Pressure solution, a mechanism that involves tight coupling between the geometry and thermal-hydro-mechanical-chemical (THMC) processes, plays an important role in diagenesis. In this study, we make the first attempt to conduct microscale THMC modeling to understand and quantify the impacts of geometry and temperature on pressure solution, taking natural salt rock as an example. This modeling capability is achieved by expanding a novel MC code that we developed previously (Hu et al. J Geophys Res: Solid Earth 126:e2021JB023112, 2021) to include temperature effects. We first conduct a simulation of an example that involves a single brine inclusion within a single halite grain and find that the temperature impact is limited for that case. We then extract geometry from an image of a natural salt rock and conduct simulations with different cases: (A) only temperature and no stress, (B) only stress and no temperature, and (C) with both stress and temperature. These different cases result in quite different phenomena. In case A, dissolution and precipitation occur across the entire system due to isolated pore space reaching a localized mass balance between dissolution, precipitation, and diffusion. In case B, intense geometric features (e.g., major asperities, inclusions) in one area undergo stress concentration, thus dominating pressure solution in that area. In case C, pressure solution is spread out at contacting highly stressed geometric features close to the hotter side. We conclude that geometric features dominate stress distribution, thus dominating pressure solution in a natural salt rock that may be affected by the temperature if a sufficient temperature gradient is applied.

58 GEOSCIENCES↗

NASA NTRS2002

On Simulating the Mid-western-us Drought of 1988 with a GCM

The primary cause of the midwestern North American drought in the summer of 1988 has been identified to be the La Nina SST anomalies. Yet with the SST anomalies prescribed, this drought has not been simulated satisfactorily by any general circulation model. Seven simulation-experiments, each containing an ensemble of 4-sets of simulations, were conducted with the GEOS GCM for both 1987 and 1988. All simulations started from January 1 and continued through the end of August. In the first baseline case, Case 1, only the SST anomalies and some vegetation parameters were prescribed, while everything else (such as soil moisture, snow-cover, and clouds) was interactive. The GCM did produce some of the circulation features of a drought over North America, but they could only be identified on the planetary scales. The 1988 minus 1987 precipitation differences show that the GCM was successful in simulating reduced precipitation in the mid-west, but the accompanying circulation anomalies were not well simulated, leading one to infer that the GCM has simulated the drought for the wrong reason. To isolate the causes for this unremarkable circulation, analyzed winds and soil moisture were prescribed in Case 2 and Case 3 as continuous updates by direct replacement of the GCM-predicted fields. These cases show that a large number of simulation biases emanate from wind biases that are carried into the North American region from surroundings regions. Inclusion of soil moisture also helps to ameliorate the strong feedback, perhaps even stronger than that of the real atmosphere, between soil moisture and precipitation. Case 2 simulated one type of surface temperature anomaly pattern, whereas Case 3 with the prescribed soil moisture produced another.

Sud, Y. C.↗

NASA NTRS2022

TruePAL – An AI Assistant for First Responder Safety

This paper presents the development of an AI assistant, Trusted and Explainable Artificial Intelligence for Saving Lives (TruePAL), to provide real-time warning of risks of potential crashes to the first responders. The TruePAL system employs an AI and deep learning technology for saving first responders and roadside crews lives in and around active traffic. A deep neural network (DNN) and a Non-Axiomatic Reasoning System (NARS) are implemented as an AI system. A mobile app with AI interface is developed to perform verbal communication with the first responders. The TruePAL team has developed an explainable AI approach by opening up the DNN blackbox to extract the activation filters of various features and parts of the targeted objects. The combination of DNN and NARS makes the TruePAL system explainable to the users. TruePAL ingests on-board cameras, radar, and other sensor signals, analyzes the environment and traffic patterns to generate timely warning to drivers and roadside crews to avoid crashes. The TruePAL team, in collaboration with the Miami/Dade Police Dept., has designed five use cases and multiple sub-scenarios in a CARLA driving simulator to test the capability of TruePAL in timely warning to the first responder drivers in potential crash scenarios. We have successfully demonstrated its capability of timely warning in over a dozen scenarios based on the use cases. The preliminary test simulation results show that TruePAL could provide the drivers and crew members advanced warning before a crash occurs.

Chow, Edward↗

DOE OSTI2022

Effect of Packing Nonuniformity at the Fiber Bundle–Case Interface on Performance of Hollow Fiber Membrane Gas Separation Modules

High-fidelity simulations of momentum and mass transfer within a hollow fiber gas separation membrane module are here reported. The simulations capture the potential detrimental effects of poor fiber packing at the bundle–case interface on fluid distribution and performance. Results are presented for both circular and planar fiber bundles. The length over which bundle–case gaps affects flow is determined. The length increases dramatically with increasing fiber packing fraction. As the packing fraction approaches 0.6, the impact extends over the entire bundle diameter for small modules (<1000 fibers). The results clearly demonstrate the detrimental effect of poor packing along the case and can be used to develop module manufacturing guidelines. To reduce computational costs, an equivalent planar bundle module approximation is developed. The approximate simulations agree well with results from full 3-D simulations and can reduce computational costs without sacrificing fidelity.

42 ENGINEERING↗

NASA NTRSDate not supplied

USM3D-ME Contributions to the 5th AIAA High Lift Prediction Workshop

This paper presents the results of Reynolds-averaged Navier-Stokes (RANS) simulations conducted by the NASA flow solver, mixed-element USM3D (USM3D-ME), for the 5th AIAA High-Lift Prediction Workshop. As part of the Fixed-Grid RANS Technology Focus Group (TFG), these simulations were performed to assess the accuracy and efficiency of the USM3D-ME solutions in predicting high-lift flows. The High-Lift Common Research Model (CRM-HL) served as the primary geometry. Several CRM-HL configurations were used for three case studies: a verification study (Case 1), a configuration buildup study (Case 2), and a Reynolds-number variation study (Case 3). Overall, USM3D-ME RANS results aligned with the solutions selected by the Fixed-Grid RANS TFG and available wind tunnel data. Simulations for Case 1 and Configuration 2.1 achieved machine-zero residual convergence, with aerodynamic coefficients converging to steady-state values. However, Configurations 2.2-2.4 and Case 3 encountered iterative- and grid-convergence challenges, particularly at high angles of attack. Compared with the experimental data available for Configurations 2.2-2.4, close agreement was demonstrated at low angles of attack. However, for angles of attack approaching the maximum lift conditions, the predicted lift coefficient and pitching moment deviated from experimental values. The drag-coefficient predictions were in relatively good agreement, however, slight overpredictions were observed at the highest angle of attack corresponding to the maximum-lift condition. Although iterative convergence for Configurations 2.2-2.4 at high angles of attack remains a persistent challenge, averaging aerodynamic coefficients over the last 5000 iterations yielded satisfactory agreement with the available wind tunnel experimental data. During the workshop, the lack of iterative convergence was attributed to the vortex structures emanating from the slat brackets. To investigate this issue further, post-workshop simulations were conducted on Configuration 2.2. In one study, RANS simulations were performed on a simplified geometry with the slat brackets removed. The second study focused on performing unsteady RANS (URANS) simulations on the original Configuration 2.2 geometry. Preliminary results from both studies are presented and compared with wind tunnel data for Configuration 2.2. Consistent with the findings of other participants in the Fixed-Grid RANS TFG, this study emphasizes the necessity for further exploration and advancement in RANS technology for predicting high-lift flows.

Aerodynamics↗

NASA NTRSDate not supplied

USM3D-ME Contributions to the 5th AIAA High Lift Prediction Workshop

This paper presents the results of Reynolds-averaged Navier-Stokes (RANS) simulations conducted by NASA’s flow solver, mixed-element USM3D (USM3D-ME), for the 5th AIAA High-Lift Prediction Workshop. As part of the Fixed-Grid RANS Technology Focus Group (TFG), these simulations were performed to assess the accuracy and efficiency of the USM3D-ME solutions in predicting high-lift flows. The High-Lift Common Research Model (CRM-HL) served as the primary geometry. Several CRM-HL configurations were used for three case studies: a verification study (Case 1), a configuration buildup study (Case 2), and a Reynolds-number variation study (Case 3). Overall, USM3D-ME RANS results aligned with the solutions selected by the Fixed-Grid RANS TFG and available wind tunnel data Simulations for Cases 1 and Configuration 2.1 achieved machine-zero residual convergence, with aerodynamic coefficients converging to steady-state values. However, Configurations 2.2-2.4 and Case 3 encountered iterative- and grid-convergence challenges, particularly at high angles of attack. Compared with the experimental data available for Configurations 2.2-2.4, close agreement was demonstrated at low angles of attack. However, for angles of attack approaching the maximum lift conditions, the predicted lift coefficient and pitching moment deviated from experimental values. The drag-coefficient predictions were in a relatively good agreement, however, slight overpredictions were observed at the highest angle of attack corresponding to the maximum-lift condition. Although iterative convergence for Configurations 2.2-2.4 at high angles of attack remains a persistent challenge, averaging aerodynamic coefficients over the last 5000 iterations yielded satisfactory agreement with the available wind tunnel experimental data. During the workshop, the lack of iterative convergence was attributed to the vortex structures emanating from the slat brackets. To investigate this issue further, post-workshop simulations were conducted on Configuration 2.2. In one study, RANS simulations were performed on a simplified geometry with the slat brackets removed. The second study focused on performing URANS simulations on the original Configuration 2.2 geometry. Preliminary results from both studies are presented and compared with wind tunnel data for Configuration 2.2. Consistent with the findings of other participants in the Fixed-Grid RANS TFG, this study emphasizes the necessity for further exploration and advancement in RANS technology for predicting high-lift flows.

CFD↗

NASA NTRS1982

Automated procedure for developing hybrid computer simulations of turbofan engines. Part 1: General description

A systematic, computer-aided, self-documenting methodology for developing hybrid computer simulations of turbofan engines is presented. The methodology that is pesented makes use of a host program that can run on a large digital computer and a machine-dependent target (hybrid) program. The host program performs all the calculations and data manipulations that are needed to transform user-supplied engine design information to a form suitable for the hybrid computer. The host program also trims the self-contained engine model to match specified design-point information. Part I contains a general discussion of the methodology, describes a test case, and presents comparisons between hybrid simulation and specified engine performance data. Part II, a companion document, contains documentation, in the form of computer printouts, for the test case.

Szuch, J. R.↗

DOE OSTI2024

Deciphering the Cofilin Oligomers via Intermolecular Disulfide Bond Formation: A Coarse-Grained Molecular Dynamics Approach to Understanding Cofilin’s Regulation on Actin Filaments

Cofilin, a key actin-binding protein, orchestrates the dynamics of the actomyosin network through its actin-severing activity and by promoting the recycling of actin monomers. Recent experimental work suggests that cofilin also forms functionally distinct oligomers through thiol post-translational modification (PTM) that encourages actin nucleation and assembly. Despite these advances, the structural conformations of cofilin oligomers that modulate actin activity remain elusive because there are combinatorial ways to oxidize thiols in cysteines to form disulfide bonds rapidly. This study employs molecular dynamics simulations to investigate human cofilin 1 as a case study for exploring cofilin dimers via disulfide bond formation. Using the free energy profiling, our simulations unveil a range of probable cofilin dimer structures not represented in current Protein Data Bank entries. These candidate dimers are characterized by their distinct population distributions and relative free energies. Of particular note is a dimer featuring an interface between cysteines 139 and 147 residues, which demonstrates stable free energy characteristics and intriguingly symmetrical geometry. In contrast, the experimentally proposed dimer structure exhibits a less stable free energy profile. Here, we also evaluate frustration quantification based on the energy landscape theory in the protein-protein interactions at the dimer interfaces. Notably, the 39-39 dimer configuration emerges as a promising candidate for forming cofilin tetramers, as substantiated by frustration analysis. Additionally, docking simulations with actin filaments further evaluate the stability of these cofilin dimer-actin complexes. Our findings thus offer a computational framework for understanding the role of thiol post-translational modification cofilin proteins in regulating oligomerization, and the subsequent cofilin-mediated actin dynamics in the actomyosin network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

CFD Model Development of a Cryogenic Storage Tank Self-Pressurization in Normal Gravity and Validation against SHIIVER Experiment

Two-phase flow and heat transfer simulations with interfacial phase change of the Structural Heat Intercept, Insulation, and Vibration Evaluation Rig (SHIIVER) self-pressurization experiment were conducted using storage tank CFD model in the framework of the ANSYS Fluent CFD code. The simulations were performed for the 70% fill level case with MLI on domes and no vapor cooling. All the phase change calculations in these simulations were generated by in-house Schrage-based evaporation-condensation model. The calculations were performed using both the Volume of Fluid (VOF) and Sharp Interface multiphase 2D axisymmetric models. A number of parametric and sensitivity studies were performed to check the various aspects of the CFD model. These studies helped to understand the effects of varying several parameters on the tank pressure and temperature during self-pressurization. Turbulence modeling; turbulence damping at the interface; and using constant vs. temperature dependent fluid properties were shown to have the most profound influence on predicted tank pressures and temperatures. Current study indicates that including phase change at the interface into the computational model is crucial for accurate prediction of the tank self-pressurization process. The effect of accommodation coefficient was also studied. Tank pressure values predicted by the VOF, and Sharp Interface models are within 4% of the experimental ones.

Computational Fluid Dynamics↗

NASA NTRSDate not supplied

CFD Model Development of a Cryogenic Storage Tank Self-Pressurization in Normal Gravity and Validation against SHIIVER Experiment

Two-Phase flow and heat transfer simulations with interfacial phase change of the Structural Heat Intercept, Insulation, and Vibration Evaluation Rig (SHIIVER) self-pressurization experiment were conducted using storage tank CFD model in the framework of the ANSYS Fluent CFD code. The simulations were performed for the 70% fill level case with MLI on domes and no vapor cooling. All the phase change calculations in these simulations were generated by in-house Schrage-based evaporation-condensation model. The calculations were performed using both the VOF and Sharp Interface multiphase 2Daxisymmetric models. A number of parametric and sensitivity studies were performed to check the various aspects of the CFD model. These studies helped to understand the effects of varying several parameters on the tank pressure and temperature during self-pressurization. These parameters include: the effect of turbulence modeling and turbulence damping at the interface; the effect of constant vs. temperature dependent fluid properties; the effect of accommodation coefficient; the effect of modeling phase change at the interface and the effect of the fill level.

Computational Fluid Dynamics↗

DOE OSTI2020

2D Dam-Break Analysis of L Lake and PAR Pond Dams Using HEC-RAS

In 1991 a dam-break study was conducted for the high hazard dams located at L Lake and PAR Pond on the Savannah River Site. Two scenarios were considered, over topping from a Probable Maximum Flood (PMF), and a fair weather dam-break for either or both dams. Unfortunately, no inundation map was developed from the study. The purpose of this project was to redo the original dam-break study with improved data and methodology to generate Inundation maps to assist with emergency response and evacuation plans. The Hydrologic Engineering Center's River Analysis System (HEC-RAS) is a free to download river analysis modeling program developed by the US Army Corps of Engineers capable of 1D and 2D hydraulic calculations. Version 5.0.7 (released March 2019) was used for this project. Digital elevation models for the area were retrieved from the US Geological Survey database and converted to a .hdf file within the program. Then the 2D flood area was identified from the contours. Both L Lake and PAR Pond were inputted as 1D storage areas because DEM data does not contain elevation values under water bodies. An elevation vs volume curve was available for both storage areas. Initial elevations were set for both scenarios. Both dams are earthen dams. The Steel Creek dam at L Lake has 6 ft diameter conduit with an upper and lower sluice gate. PAR pond dam consist of a weir and sluice gate connected to an 8 x 8 ft channel. Both outlets were modeled with a pool elevation vs discharge curve. The steel creek dam sluice gates were assumed to be fully open in all cases. As in the previous study, the dams were set to breach when they were overtopped by 1.5 ft during PMF conditions (Figure 1). A fair weather breach was set to be due to a piping failure (Figure 1). In the dual dam break during fair weather conditions the PAR pond dam fails 3 hours after Steel Creek to achieve maximum flooding in the down stream reaches. Simulation was run 3 days for each case and with a 1 minute computational interval. Maximum flooding occurs under PMF conditions with the failure of both dams. PAR pond dam fails first 16 hours and 32 minutes after the start of the simulation with the Steel creek dam failing 6 minutes later. In all cases, the bridges and roads spanning Steel Creek and Lower Three Runs will be inundated and potentially washed away. The Burtons Ferry Highway south of the storage areas will be partially flooded during PMF failure, dual fair weather failure, and PAR pond failure under fair weather conditions.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2011

Evaluating the Impacts of NASA/SPoRT Daily Greenness Vegetation Fraction on Land Surface Model and Numerical Weather Forecasts

The NASA Short-term Prediction Research and Transition (SPoRT) Center develops new products and techniques that can be used in operational meteorology. The majority of these products are derived from NASA polar-orbiting satellite imagery from the Earth Observing System (EOS) platforms. One such product is a Greenness Vegetation Fraction (GVF) dataset, which is produced from Moderate Resolution Imaging Spectroradiometer (MODIS) data aboard the NASA EOS Aqua and Terra satellites. NASA SPoRT began generating daily real-time GVF composites at 1-km resolution over the Continental United States (CONUS) on 1 June 2010. The purpose of this study is to compare the National Centers for Environmental Prediction (NCEP) climatology GVF product (currently used in operational weather models) to the SPoRT-MODIS GVF during June to October 2010. The NASA Land Information System (LIS) was employed to study the impacts of the new SPoRT-MODIS GVF dataset on land surface models apart from a full numerical weather prediction (NWP) model. For the 2010 warm season, the SPoRT GVF in the western portion of the CONUS was generally higher than the NCEP climatology. The eastern CONUS GVF had variations both above and below the climatology during the period of study. These variations in GVF led to direct impacts on the rates of heating and evaporation from the land surface. The second phase of the project is to examine the impacts of the SPoRT GVF dataset on NWP using the Weather Research and Forecasting (WRF) model. Two separate WRF model simulations were made for individual severe weather case days using the NCEP GVF (control) and SPoRT GVF (experimental), with all other model parameters remaining the same. Based on the sensitivity results in these case studies, regions with higher GVF in the SPoRT model runs had higher evapotranspiration and lower direct surface heating, which typically resulted in lower (higher) predicted 2-m temperatures (2-m dewpoint temperatures). The opposite was true for areas with lower GVF in the SPoRT model runs. These differences in the heating and evaporation rates produced subtle yet quantifiable differences in the simulated convective precipitation systems for the selected severe weather case examined.

Bell, Jordan R.↗

NASA NTRS2015

On the Effect of Rigid Swept Surface Waves on Turbulent Drag

Passive turbulent drag reduction techniques are of interest as a cost effective means to improve air vehicle fuel consumption. In the past, rigid surface waves slanted at an angle from the streamwise direction were deemed ineffective to reduce skin friction drag due to the pressure drag that they generate. A recent analysis seeking similarities to the spanwise shear stress generated by spatial Stokes layers suggested that there may be a range of wavelength, amplitude, and orientation in which the wavy surface would reduce turbulent drag. The present work explores, by experiments and Direct Numerical Simulations (DNS), the effect of swept wavy surfaces on skin friction and pressure drag. Plates with shallow and deep wave patterns were rapid-prototyped and tested using a drag balance in the 7x11 inch Low-Speed Wind Tunnel at the NASA LaRC Research Center. The measured drag o set between the wavy plates and the reference at plate is found to be within the experimental repeatability limit. Oil vapor flow measurements indicate a mean spanwise flow over the deep waves. The turbulent flow in channels with at walls, swept wavy walls and spatial Stokes spanwise velocity forcing was simulated at a friction Reynolds number of two hundred. The time-averaged and dynamic turbulent flow characteristics of the three channel types are compared. The drag obtained for the channel with shallow waves is slightly larger than for the at channel, within the range of the experiments. In the case of the large waves, the simulation over predicts the drag. The shortcomings of the Stokes layer analogy model for the estimation of the spanwise shear stress and drag are discussed.

Denison, M.↗

NASA NTRS2003

Software for Simulating Remote Sensing Systems

The Application Research Toolbox (ART) is a collection of computer programs that implement algorithms and mathematical models for simulating remote sensing systems. The ART is intended to be especially useful for performing design-tradeoff studies and statistical analyses to support the rational development of design requirements for multispectral imaging systems. Among other things, the ART affords a capability to synthesize coarser-spatial-resolution image-data sets from finer-spatial-resolution data sets and multispectral-image-data products from hyperspectral-image-data products. The ART also provides for synthesis of image-degradation effects, including point-spread functions, misregistration of spectral images, and noise. The ART can utilize real or synthetic data sets, along with sensor specifications, to create simulated data sets. In one example of a typical application, simulated data pertaining to an existing multispectral sensor system are used to verify the data collected by the system in operation. In the case of a proposed sensor system, the simulated data can be used to conduct trade studies and statistical analyses to ensure that the sensor system will satisfy the requirements of potential scientific, academic, and commercial user communities.

Zanoni, Vicki↗

NASA NTRS2003

Software for Simulating Remote Sensing Systems

Vicki Zanoni↗

NASA NTRS2018

Hybrid Reduced Order Model for N2-N2 Interactions for Application to Dissociation and Energy Transfer Processes

Recent work in the aerothermodynamics community has focused on the development of reduced-order models for thermo-chemical non-equilibrium which avoid the restrictive assumptions of multi-temperature models and the prohibitive cost associated with State-to-State (StS) models. In the present work, this is accomplished by lumping energy states together and assuming groups of states are roughly in equilibrium. As a result, the non-equilibrium behavior of a gas can be captured at a reduced computational cost from a full StS simulation. In this work, we present a hybrid grouping model for studying energy transfer and dissociation in a mixture of nitrogen molecules due to N2-N2 reactions. This is accomplished by making use of a grouping strategy informed by data from the N2-N StS kinetic data. However, due to the massive computational cost associated with constructing StS data for the N2-N2 system, the kinetic data for the hybrid grouping model are calculated using the quasi-classical trajectory (QCT) method by sampling states for trajectory within the groups. This general framework is called the Maximum-Entropy Quasi-Classical Trajectory (ME-QCT) method. The primary challenge associated with this method is that rates for reverse grouped reactions cannot be obtained through detailed balance at a group level, due to the variation of group internal temperatures. To construct the full model for N2-N2 grouped kinetics using the ME-QCT method, detailed balance is invoked at the microscopic level, allowing for the calculation of the full kinetic data from QCT. Results will be presented using the full ME-QCT model for the N2-N2 system in an isothermal and isochoric reactor simulation. In addition, simple CFD test cases for a one-dimensional standing shock and for a quasi-one-dimensional nozzle will be used for demonstration of the ME-QCT method. This method allows for the calculation of non-equilibrium behavior for the N2-N2 system without the prohibitive cost of a full StS simulation. Moreover, it enables the construction of a unified model for the dissociating and recombining non-equilibrium flows.

nonequilibrium modeling↗