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NASA NTRS1993

Development of a computational testbed for numerical simulation of combustion instability

A synergistic hierarchy of analytical and computational fluid dynamic techniques is used to analyze three-dimensional combustion instabilities in liquid rocket engines. A mixed finite difference/spectral procedure is employed to study the effects of a distributed vaporization zone on standing and spinning instability modes within the chamber. Droplet atomization and vaporization are treated by a variety of classical models found in the literature. A multi-zone, linearized analytical solution is used to validate the accuracy of the numerical simulations at small amplitudes for a distributed vaporization region. This comparison indicates excellent amplitude and phase agreement under both stable and unstable operating conditions when amplitudes are small and proper grid resolution is used. As amplitudes get larger, expected nonlinearities are observed. The effect of liquid droplet temperature fluctuations was found to be of critical importance in driving the instabilities of the combustion chamber.

Grenda, Jeffrey↗

DOE OSTI2025

Online Dynamic Mode Decomposition Based System Identification of Multi-Zone Building HVAC Systems

Many works have recently been conducted to reduce the electricity consumption of smart buildings and allow them to support various grid services. Most of these works require accurate system models for the various appliances in the building including heating, ventilation, and air conditioning (HVAC) units. In this paper, we investigate a recursive data-driven system identification strategy to construct the thermal model for a time-varying building with a multi-zone HVAC unit. The online dynamic mode decomposition (DMD)-based strategy is employed to identify the multi-zone thermal building dynamics, where a simple information update (rank-1) is selected to avoid computational complexity. The DMD-based identification strategy is validated using a real gymnasium building equipped with a 4-zone HVAC unit, and its performance is compared with that of the traditional nuclear-norm subspace identification (N2SID) strategy.

Wu, Tumin [University of Tennessee, Knoxville (UTK↗

DOE OSTI2026

Hybrid combustion modeling approach for turbulent jet ignition in natural-gas pre-chamber spark-ignition engines at high EGR

Here, this study presented a hybrid modeling approach for simulating turbulent jet ignition and combustion processes in a natural-gas pre-chamber spark-ignition engine operating under exhaust gas recirculation (EGR) diluted conditions. In-depth analyses of experimental data and simulation results from previous work [Chinnathambi et al., ICEF2021-67836; Kim et al., Fuel 409: 137815, 2026] revealed two key findings: (i) the magnitude of pressure difference between the pre-chamber and main chamber ($∆P_{PC-MC}$) was positively correlated with the combustion duration from the moment of $∆P_{PC-MC}=0$ to the point of 5% mass fraction burned, with larger $∆P_{PC-MC}$ associated with longer duration; and (ii) the turbulent combustion regime in the main chamber transitioned from the broken reaction zone to the corrugated flamelet regime, with the Karlovitz number exceeding 100 immediately after turbulent hot jets were ejected from nozzles, coinciding with observed local extinction events. To accurately simulate the entire combustion process, a hybrid approach was developed under Reynolds-Averaged Navier Stokes framework, combining the G-equation model for pre-chamber combustion with the multi-zone well-stirred reactor approach and a turbulence-chemistry interaction (TCI) submodel for main chamber combustion. The TCI submodel accounted for the attenuation of reaction rates due to turbulent strain and modeled local extinction by suppressing reaction rates under certain flow and flame conditions. When applied to three EGR rate conditions toward the dilution limit, the hybrid modeling approach accurately reproduced experimental data in terms of cylinder pressure, apparent heat release rate, and the observed positive correlation, including the delayed onset of main chamber combustion—a feature not captured by existing combustion models.

computational fluid dynamics simulation↗

NASA NTRS1990

Modeling of surface roughness effects on glaze ice accretion

A series of experimental investigations focused on studying the cause and effect of roughness on accreting glaze ice surfaces were conducted. Detailed microvideo observations were made of glaze ice accretions on 1 to 4 inch diameter cylinders in three icing wind tunnels (the Data Products of New England six inch test facility, the NASA Lewis Icing Research Tunnel, and the B. F. Goodrich Ice Protection Research Facility). Infrared thermal video recordings were made of accreting ice surfaces in the Goodrich facility. Distinct zones of surface water behavior were observed; a smooth wet zone in the stagnation region with a uniform water film; a rough zone where surface tension effects caused coalescence of surface water into stationary beads; a horn zone where roughness elements grow into horn shapes; a runback zone where surface water ran back as rivulets; and a dry zone where rime feathers formed. The location of the transition from the smooth to the rough zone was found to migrate with time towards the stagnation point. The behavior of the transition appeared to be controlled by boundary layer transition and bead formation mechanisms at the interface between the smooth and rough zones. Regions of wet ice growth and enhanced heat transfer were clearly visible in the infrared video recordings of glaze ice surfaces. A simple multi-zone modification to the current glaze ice accretion model was proposed to include spatial variability in surface roughness.

Hansman, R. John, Jr.↗

NASA NTRS2002

Hybrid MPI+OpenMP Programming of an Overset CFD Solver and Performance Investigations

This report describes a two level parallelization of a Computational Fluid Dynamic (CFD) solver with multi-zone overset structured grids. The approach is based on a hybrid MPI+OpenMP programming model suitable for shared memory and clusters of shared memory machines. The performance investigations of the hybrid application on an SGI Origin2000 (O2K) machine is reported using medium and large scale test problems.

Djomehri, M. Jahed↗

DOE OSTI2025

EnergyPlus-MCP: A model-context-protocol server for ai-driven building energy modeling

Traditional building energy modeling with the EnergyPlus building performance simulation engine requires domain expertise, programming skills, and intensive manual efforts limiting its effective adoption. This paper introduces EnergyPlus-MCP, the first open-source Model Context Protocol (MCP) server specifically designed for EnergyPlus simulation workflows, establishing a new foundational infrastructure for AI-driven building energy modeling. The MCP server implements a layered architecture with 35 specialized tools spanning model management, editing and analysis, HVAC and other systems configuration inspection, and simulation execution, enabling Large Language Models to interact with EnergyPlus through conversational interfaces. The server addresses critical workflow barriers by automating model validation, streamlining energy efficiency measures modification, and providing intelligent output management with interactive visualization. Through practical demonstrations using a multi-zone building retrofit analysis, we show how the EnergyPlus-MCP server significantly reduces manual efforts while maintaining full simulation rigor. By providing accessible natural language interfaces to sophisticated building energy analysis, this approach enables scalable deployment of simulation expertise across public and private organizations, educational institutions, and research teams, fundamentally transforming traditional building energy modeling practices.

AI↗

NASA NTRS1998

Non-Equilibrium Turbulence Modeling for High Lift Aerodynamics

This phase is discussed in ('Non linear kappa - epsilon - upsilon(sup 2) modeling with application to high lift', Application of the kappa - epsilon -upsilon(sup 2) model to multi-component airfoils'). Further results are presented in 'Non-linear upsilon(sup 2) - f modeling with application to high-lift' The ADI solution method in the initial implementation was very slow to converge on multi-zone chimera meshes. I modified the INS implementation to use GMRES. This provided improved convergence and less need for user intervention in the solution process. There were some difficulties with implementation into the NASA compressible codes, due to their use of approximate factorization. The Helmholtz equation for f is not an evolution equation, so it is not of the form assumed by the approximate factorization method. Although The Kalitzin implementation involved a new solution algorithm ('An implementation of the upsilon(sup 2) - f model with application to transonic flows'). The algorithm involves introducing a relaxation term in the f-equation so that it can be factored. The factorization can be into a plane and a line, with GMRES used in the plane. The NASA code already evaluated coefficients in planes, so no additional memory is required except that associated the the GMRES algorithm. So the scope of this project has expanded via these interactions. . The high-lift work has dovetailed into turbine applications.

Durbin, P. A.↗

NASA NTRS2002

Multi-Zone Liquid Thrust Chamber Performance Code with Domain Decomposition for Parallel Processing

Computational Fluid Dynamics (CFD) has considerably evolved in the last decade. There are many computer programs that can perform computations on viscous internal or external flows with chemical reactions. CFD has become a commonly used tool in the design and analysis of gas turbines, ramjet combustors, turbo-machinery, inlet ducts, rocket engines, jet interaction, missile, and ramjet nozzles. One of the problems of interest to NASA has always been the performance prediction for rocket and air-breathing engines. Due to the complexity of flow in these engines it is necessary to resolve the flowfield into a fine mesh to capture quantities like turbulence and heat transfer. However, calculation on a high-resolution grid is associated with a prohibitively increasing computational time that can downgrade the value of the CFD for practical engineering calculations. The Liquid Thrust Chamber Performance (LTCP) code was developed for NASA/MSFC (Marshall Space Flight Center) to perform liquid rocket engine performance calculations. This code is a 2D/axisymmetric full Navier-Stokes (NS) solver with fully coupled finite rate chemistry and Eulerian treatment of liquid fuel and/or oxidizer droplets. One of the advantages of this code has been the resemblance of its input file to the JANNAF (Joint Army Navy NASA Air Force Interagency Propulsion Committee) standard TDK code, and its automatic grid generation for JANNAF defined combustion chamber wall geometry. These options minimize the learning effort for TDK users, and make the code a good candidate for performing engineering calculations. Although the LTCP code was developed for liquid rocket engines, it is a general-purpose code and has been used for solving many engineering problems. However, the single zone formulation of the LTCP has limited the code to be applicable to problems with complex geometry. Furthermore, the computational time becomes prohibitively large for high-resolution problems with chemistry, two-equation turbulence model, and two-phase flow. To overcome these limitations, the LTCP code is rewritten to include the multi-zone capability with domain decomposition that makes it suitable for parallel processing, i.e., enabling the code to run every zone or sub-domain on a separate processor. This can reduce the run time by a factor of 6 to 8, depending on the problem.

Homayun K. Navaz↗

NASA NTRS1989

Numerical simulation of rotorcraft

The objective of the research is to develop and validate accurate, user-oriented viscous CFD codes (with inviscid options) for three-dimensional, unsteady aerodynamic flows about arbitrary rotorcraft configurations. Unsteady, three-dimensional Euler and Navier-Stokes codes are developed, adapted, and extended to rotor-body combinations. Flow solvers are coupled with zonal grid topologies, including rotating and nonrotating blocks. Special grid clustering and wave-fitting techniques were developed to capture low-level radiating acoustic waves. Significant progress was made in computing the propagation of acoustic waves due to the interaction of a concentrated vortex and a helicopter airfoil. The need for higher-order schemes was firmly established in relatively inexpensive two-dimensional calculations. In three dimensions, the number of grid points required to capture the low-level acoustic waves becomes very large, so that large supercomputer memory becomes essential. Good agreement was obtained between the numerical results obtained with a thin-layer Navier-Stokes code and experimental data from a model rotor. In addition, several nonrotating configurations that are sometimes proposed to simulate rotor blade tips in conventional wind tunnels were examined, and the complex flow around the radical tip shape of the world's fastest helicopter is under investigation. These studies demonstrate the flexibility and power of CFD to gain physical insight, study novel ideas, and examine various possibilities that might be difficult or impossible to set up in physical experiments. As a prelude to studies of rotor-body aerodynamic interactions, a preliminary grid topology and moving-interface strategy were developed. A new Euler/Navier-Stokes code using these techniques computes the vortical wake directly, rather than modeling it, as in most previous rotorcraft studies. Several hover cases were run for conventional and advanced-geometry blades. Numerical schemes using multi-zones and/or adaptive grids appear to be necessary to simulate the complex vortical flows in rotor wakes.

Mccroskey, William J.↗

NASA NTRS1988

The multi-zone calculation of turbomachinery flows. II - The multi-zone calculation of the turbulent, two-specie flow through the SSME HPFTP first and second stage cavities

A multi-zone Navier-Stokes methodology to calculate the two-specie flow through the first and second stage cooling cavities of the Space Shuttle Main Engine (SSME) high pressure fuel turbopump (HPFTP) is developed. A simplified two-component fluid formulation is used to model the interaction of coolant and hot gas. Johnston's secant approximation is used to define an appropriate near wall velocity for use in a three-dimensional law of the wall. The basic Navier-Stokes algorithm used is a finite-volume, predictor-corrector algorithm which uses a pressure correction technique. A multi-zone method is used to partition each cavity into easily handled subdomains. The results show that coolant flow is pumped up the turbine wheel for both cavities, creating a region of large temperature gradients on the turbine shank.

Williams, M.↗

DOE OSTI2023

End-Use Savings Shapes Measure Documentation: Variable Refrigerant Flow with Heat Recovery and Dedicated Outdoor Air System

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock™ and ComStock™ models over the past 3 years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single heating, ventilation, and air-conditioning (HVAC) end-use savings shape measure - a variable refrigerant flow with heat recovery (VRF HR) heating and cooling system coupled with a dedicated outdoor air system (DOAS) for ventilation. This measure replaces existing multi-zone variable air volume (VAV) systems or single-zone rooftop units (RTU) with a VRF HR system coupled with a DOAS that includes an energy/heat recovery ventilator (E/HRV). The measure covers 53% of exisiting building stock's floor area and is not applicable to HVAC system types using district heating or cooling or buildings/spaces that include high-ventilation spaces such as kitchens where the amount of exhaust air is large. A DOAS with E/HRV is used to provide required outdoor ventilation air to spaces since ventilation air is generally not supplied by a VRF HR system. An exhaust air energy recovery ventilator (ERV ) with sensible and latent heat exchange is added to humid climate zones while a heat recovery ventilator (HRV ) with sensible only exchange is added to drier climate zones. The ERV is modeled as a fixed membrane plate counterflow heat exchanger, while the HRV is modeled as a sensible-only fixed aluminum plate counterflow heat exchanger. Both systems include a bypass (for temperature control and economizer lockout) and minimum exhaust temperature control for frost prevention.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1992

Analysis of surface roughness generation in aircraft ice accretion

Patterns of roughness evolution have been studied analysis of high magnification video observations of accreting ice surfaces provided by the NASA Lewis Research Center. Three distinct patterns of surface roughness generation have been identified within the parametric regions studied. They include: Rime, Multi-Zone Glaze, and Uniform Glaze. Under most icing conditions, a brief period of transient rime ice growth was observed caused by heat conduction into the body. The resulting thin rime layer explains previously observed insensitivity of some ice accretions to substrate insensitivity of some ice accretions to substrate surface chemistry and may provide justification for simplifying assumptions in ice accretion sailing and modeling effects.

Hansman, R. J., Jr.↗

DOE OSTI2024

Insights into the broadband emission of the TeV blazar Mrk 501 during the first X-ray polarization measurements

Aims.We present the first multiwavelength study of Mrk 501 that contains simultaneous very-high-energy (VHE)γ-ray observations and X-ray polarization measurements from the Imaging X-ray Polarimetry Explorer (IXPE). Methods.We used radio-to-VHE data from a multiwavelength campaign carried out between March 1, 2022, and July 19, 2022 (MJD 59639 to MJD 59779). The observations were performed by MAGIC,Fermi-LAT,NuSTAR,Swift(XRT and UVOT), and several other instruments that cover the optical and radio bands to complement the IXPE pointings. We characterized the dynamics of the broadband emission around the X-ray polarization measurements through its multiband fractional variability and correlations, and compared changes observed in the polarization degree to changes seen in the broadband emission using a multi-zone leptonic scenario. Results.During the IXPE pointings, the VHE state is close to the average behavior, with a 0.2–1 TeV flux of 20%–50% of the emission of the Crab Nebula. Additionally, it shows low variability and a hint of correlation between VHEγ-rays and X-rays. Despite the average VHE activity, an extreme X-ray behavior is measured for the first two IXPE pointings, taken in March 2022 (MJD 59646 to 59648 and MJD 59665 to 59667), with a synchrotron peak frequency > 1 keV. For the third IXPE pointing, in July 2022 (MJD 59769 to 59772), the synchrotron peak shifts toward lower energies and the optical/X-ray polarization degrees drop. All three IXPE epochs show an atypically low Compton dominance in theγ-rays. The X-ray polarization is systematically higher than at lower energies, suggesting an energy stratification of the jet. While during the IXPE epochs the polarization angles in the X-ray, optical, and radio bands align well, we find a clear discrepancy in the optical and radio polarization angles in the middle of the campaign. Such results further support the hypothesis of an energy-stratified jet. We modeled broadband spectra taken simultaneous to the IXPE pointings, assuming a compact zone that dominates in the X-rays and the VHE band, and an extended zone stretching farther downstream in the jet that dominates the emission at lower energies.NuSTARdata allow us to precisely constrain the synchrotron peak and therefore the underlying electron distribution. The change between the different states observed in the three IXPE pointings can be explained by a change in the magnetization and/or the emission region size, which directly connects the shift in the synchrotron peak to lower energies with the drop in the polarization degree.

Astronomy & Astrophysics↗

DOE OSTI2023

A bi-level data-driven framework for fault-detection and diagnosis of HVAC systems

Long-term operation of heating, ventilation, and air conditioning (HVAC) systems will eventually lead to a range of HVAC system failures, resulting in excessive energy consumption and maintenance costs. Here, to avoid HVAC malfunctioning, fault detection diagnostic (FDD) is utilized as a common practice. Machine learning methods have lately received considerable interest for FDD analysis of HVAC systems due to their high detection accuracy. Meanwhile, HVAC malfunctions are regarded as rare occurrences, hence normal operating data samples are much more accessible than data samples in faulty and malfunctioning conditions. The dominating frequency of normal operation in HVAC datasets has also led to heavily biased classification algorithms within the literature. Moreover, the focus of previous literature has been on increasing the accuracy of the models which leads to a high number of false positives (misleading alarms) in the system. In order to enhance the performance of diagnostic procedures and fill the mentioned gaps, this study proposes a novel data-driven framework. A bi-level machine learning framework is developed for diagnosing faults in air handling units (AHUs) and rooftop units (RTUs) based on principal component analysis (PCA), time series anomaly detection, and random forest (RF). It is shown that PCA can reduce the dataset dimension with one principal component accounting for 95% of data variance. Also, the random forest could classify the faults with 89% precision for single-zone AHU, 85% precision for RTU, and 79% for multi-zone AHU. By proposing this framework, three persistent challenges are addressed: (I) minimizing false positives; (II) accounting for data imbalance; and (III) normal condition monitoring of equipment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Evaluation of thermostat location for multizone commercial building performance

In multi-zone buildings, it is often found that a single shared thermostat controls more than one conditioned zones. Although these shared zones are supposed to have similar thermal needs (e.g., cooling and heating load), in reality, they are not mainly due to different orientations, sizes of windows, occupancy, space types, etc. This can cause unnecessary energy waste or thermal discomfort for the occupants. How to quantify this impact in multizone buildings remains a research gap. Therefore, this study aims to evaluate the impact of different sensor (i.e., thermostat) locations for multizone commercial buildings through a comprehensive modeling study. Here, two different scenarios for the sensor locations were selected to evaluate the impact in terms of energy and thermal comfort. The scenario (1) is that one to five sensors distributed among the five zones, but the sensor readings from selected zones will be used for no-sensor zones, which is no-mean sensor scenario. The scenario (2) is that one to five sensors distributed among the five zones, but the average temperature from the shared zones will be used for each of the shared zones, which is a mean sensor scenario. The uncertainty analysis was performed for different sensor location scenarios.(a)The major findings from an energy perspective, for scenario (1), the differences of cooling energy go as high as 17% more or 12% less, compared with the baseline. For heating energy consumption, the discrepancies go as high as 51% more or 52% less, compared with baseline. For site energy consumption, the discrepancies go as high as 3.2% more or 3.2% less, compared with baseline. For fan energy consumption, the discrepancies go as high as 3.2% more or as low as 1.0% less, compared with baseline. For scenario (2), the discrepancies of cooling energy go as high as 3% more, or 0.5% less, compared with the baseline. For heating energy consumption, the discrepancies, are go as high as 10.1% more or as low as 3.0% less, compared with baseline. For site energy consumption, the discrepancies go as high as 1.3% more or 0.3% less, compared with baseline. For fan energy consumption, the discrepancies go as high as 3.1% more or as low as 1.0% less, compared with baseline.(b) In terms of the indoor thermal comfort, for the no-mean-sensor scenarios, the discrepancies of unmet hours for cooling mode can be as high as 1,200 h, compared with the baseline. The discrepancies of unmet hours for heating mode can be as high as 740 h, compared with the baseline. For the mean-sensor scenarios, the discrepancies of unmet hours for cooling mode can be as high as 750 h, compared with the baseline. The discrepancies of unmet hours for heating mode can be as high as 50 h, compared with the baseline.

42 ENGINEERING↗

NASA NTRS1993

CFD Parametric Study of Consortium Impeller

Current design of high performance turbopumps for rocket engines requires effective and robust analytical tools to provide design impact in a productive manner. The main goal of this study is to develop a robust and effective computational fluid dynamics (CFD) pump model for general turbopump design and analysis applications. A Finite Difference Navier-Stokes flow solver, FDNS, which includes the extended k-epsilon turbulence model and appropriate moving interface boundary conditions, was developed to analyze turbulent flows in turbomachinery devices. A second-order central difference scheme plus adaptive dissipation terms was employed in the FDNS code, along with a predictor plus multi-corrector pressure-based solution procedure. The multi-zone, multi-block capability allows the FDNS code to efficiently solve flow fields with complicated geometry. The FDNS code has been benchmarked by analyzing the pump consortium inducer, and it provided satisfactory results. In the present study, a CFD parametric study of the pump consortium impeller was conducted using the FDNS code. The pump consortium impeller, with partial blades, is a new design concept of the advanced rocket engines. The parametric study was to analyze the baseline design of the consortium impeller and its modification which utilizes TANDEM blades. In the present study, the TANDEM blade configuration of the consortium impeller considers cut full blades for about one quarter chord length from the leading edge and clocks the leading edge portion with an angle of 7.5 or 22.5 degrees. The purpose of the present study is to investigate the effect and trend of the TANDEM blade modification and provide the result as a design guideline. A 3-D flow analysis, with a 103 x 23 x 30 mesh grid system and with the inlet flow conditions measured by Rocketdyne, was performed for the baseline consortium impeller. The numerical result shows that the mass flow rate splits through various blade passages are relatively uniform. Due to the complexity of blade geometries, the TANDEM blade configurations were analyzed with the multi-zone grid structure. Both the 7.5 deg- and the 22.5 deg-clocking TANDEM blade cases utilized a 80K mesh system. The numerical result of two TANDEM blade modifications indicates the efficiency and the head are worse than those of the baseline case due to larger flow distortion. The gap between the TANDEM blade and the full blade allows the flow passes through and heavily loads the pressure side of the partial blade such that flow reversal occurs near the suction side of the splitter. The flow split at the exit of impeller blades is very non-uniform for TANDEM blade cases, and this will greatly induce the side load on the diffuser. Therefore, the TANDEM blade modification in the present CFD analysis does not improve the performance of the consortium impeller.

Cheng, Gary C.↗

NASA NTRS1993

Advanced Multi-Phase Flow CFD Model Development for Solid Rocket Motor Flowfield Analysis

It is known that the simulations of solid rocket motor internal flow field with AL-based propellants require complex multi-phase turbulent flow model. The objective of this study is to develop an advanced particulate multi-phase flow model which includes the effects of particle dynamics, chemical reaction and hot gas flow turbulence. The inclusion of particle agglomeration, particle/gas reaction and mass transfer, particle collision, coalescence and breakup mechanisms in modeling the particle dynamics will allow the proposed model to realistically simulate the flowfield inside a solid rocket motor. The Finite Difference Navier-Stokes numerical code FDNS is used to simulate the steady-state multi-phase particulate flow field for a 3-zone 2-D axisymmetric ASRM model and a 6-zone 3-D ASRM model at launch conditions. The 2-D model includes aft-end cavity and submerged nozzle. The 3-D model represents the whole ASRM geometry, including additional grain port area in the gas cavity and two inhibitors. FDNS is a pressure based finite difference Navier-Stokes flow solver with time-accurate adaptive second-order upwind schemes, standard and extended k-epsilon models with compressibility corrections, multi zone body-fitted formulations, and turbulence particle interaction model. Eulerian/Lagrangian multi-phase solution method is applied for multi-zone mesh. To simulate the chemical reaction, penalty function corrected efficient finite-rate chemistry integration method is used in FDNS. For the AL particle combustion rate, the Hermsen correlation is employed. To simulate the turbulent dispersion of particles, the Gaussian probability distribution with standard deviation equal to (2k/3)(exp 1/2) is used for the random turbulent velocity components. The computational results reveal that the flow field near the juncture of aft-end cavity and the submerged nozzle is very complex. The effects of the turbulent particles affect the flow field significantly and provide better prediction of the ASRM performance. The multi-phase flow analysis using the FDNS code in the present research can be used as a design tool for solid rocket motor applications.

Liaw, Paul↗

NASA NTRS2000

Use Computer-Aided Tools to Parallelize Large CFD Applications

Porting applications to high performance parallel computers is always a challenging task. It is time consuming and costly. With rapid progressing in hardware architectures and increasing complexity of real applications in recent years, the problem becomes even more sever. Today, scalability and high performance are mostly involving handwritten parallel programs using message-passing libraries (e.g. MPI). However, this process is very difficult and often error-prone. The recent reemergence of shared memory parallel (SMP) architectures, such as the cache coherent Non-Uniform Memory Access (ccNUMA) architecture used in the SGI Origin 2000, show good prospects for scaling beyond hundreds of processors. Programming on an SMP is simplified by working in a globally accessible address space. The user can supply compiler directives, such as OpenMP, to parallelize the code. As an industry standard for portable implementation of parallel programs for SMPs, OpenMP is a set of compiler directives and callable runtime library routines that extend Fortran, C and C++ to express shared memory parallelism. It promises an incremental path for parallel conversion of existing software, as well as scalability and performance for a complete rewrite or an entirely new development. Perhaps the main disadvantage of programming with directives is that inserted directives may not necessarily enhance performance. In the worst cases, it can create erroneous results. While vendors have provided tools to perform error-checking and profiling, automation in directive insertion is very limited and often failed on large programs, primarily due to the lack of a thorough enough data dependence analysis. To overcome the deficiency, we have developed a toolkit, CAPO, to automatically insert OpenMP directives in Fortran programs and apply certain degrees of optimization. CAPO is aimed at taking advantage of detailed inter-procedural dependence analysis provided by CAPTools, developed by the University of Greenwich, to reduce potential errors made by users. Earlier tests on NAS Benchmarks and ARC3D have demonstrated good success of this tool. In this study, we have applied CAPO to parallelize three large applications in the area of computational fluid dynamics (CFD): OVERFLOW, TLNS3D and INS3D. These codes are widely used for solving Navier-Stokes equations with complicated boundary conditions and turbulence model in multiple zones. Each one comprises of from 50K to 1,00k lines of FORTRAN77. As an example, CAPO took 77 hours to complete the data dependence analysis of OVERFLOW on a workstation (SGI, 175MHz, R10K processor). A fair amount of effort was spent on correcting false dependencies due to lack of necessary knowledge during the analysis. Even so, CAPO provides an easy way for user to interact with the parallelization process. The OpenMP version was generated within a day after the analysis was completed. Due to sequential algorithms involved, code sections in TLNS3D and INS3D need to be restructured by hand to produce more efficient parallel codes. An included figure shows preliminary test results of the generated OVERFLOW with several test cases in single zone. The MPI data points for the small test case were taken from a handcoded MPI version. As we can see, CAPO's version has achieved 18 fold speed up on 32 nodes of the SGI O2K. For the small test case, it outperformed the MPI version. These results are very encouraging, but further work is needed. For example, although CAPO attempts to place directives on the outer- most parallel loops in an interprocedural framework, it does not insert directives based on the best manual strategy. In particular, it lacks the support of parallelization at the multi-zone level. Future work will emphasize on the development of methodology to work in a multi-zone level and with a hybrid approach. Development of tools to perform more complicated code transformation is also needed.

Jin, H.↗