September 2016 - Allocations-admins - mailman3.cels.anl.gov

[LCRC Accounts] Yearly Allocation Request for biodiesel-combustion
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: biodiesel-combustion Division: ES Project title: Development of tabulated turbulent combustion models Associated funding: DOE office of vehicle technology Other Systems: Science: This project aims to continue developing and validating novel flamelet tabulation models that can reduce computational costs and improve predictability of CFD models for engine combustion. These models will be tested against experimental data from ECN spray experiments as well as optical engines. The resulting computationally efficient modeling approaches will be applied to high resolution LES studies aimed towards understanding low temperature combustion. Project description: The project mainly involves model development and application of these models towards high fidelity CFD simulations. The novel concept (Tabulated Flamelet Model, TFM) has showed a 10 times speed up over the Representative Interactive Flamelet model and approximately 2 times speed up over the traditional homogeneous reactor models. The validations were carried out under a RANS as well as LES framework with peak cell counts of 20 million. Further developments to TFM have led to the TESF model (Tabulated Equivalent Scalar dissipation rate Flamelet). History effects of scalar dissipation can be accounted in tabulated models using this model. The project aims to further improve the speedup of the code and also reduce the memory footprint. This also involves implementation of state of the art interpolation techniques in the code. In-house flamelet solvers were developed to generate flamelet libraries. Development work will also be carried out to further extend the capacity of these codes to handle detailed mechanisms with more than 2000 species. This would include implementation of analytical Jacobians and sparse solvers. These novel and efficient modeling approaches will then be directed towards analyzing combustion of methyl decanoate (biodiesel surrogate) in an optical engine. The models will be validated over a wide range of engine operating conditions with data available from the optical engines. These simulations will be further extended to LES turbulence framework. The overall model improvements will finally help enable engine CFD modeling use LES and detailed chemistry. This will significantly improve the predictability of models. Industry partnership: Convergent Science Inc. Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 450000 Q1: 100000 Q2: 100000 Q3: 125000 Q4: 125000 Justification: Storage requirements: 5 TB Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for LES-sprays
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: LES-sprays Division: ES Project title: Large-eddy Simulations of Fuel Spray Shot-to-Shot Variability Associated funding: DOE - Office of Vehicle Technologies under the co-optima program Other Systems: Convergent Science Inc. Science: This project will expand work looking at simulating shot-to-shot variability in fuel sprays using Large-eddy Simulations. An Eulerian-Lagrangian Computation Fluid Dynamics (CFD) software called CONVERGE will be used to model the 2-phase flow. The expanded work will look at the number of realizations necessary for convergence of 2nd-order statistics (e.g. the standard deviation) of time-varying quantities, different methodologies for perturbing the spray, and expanding the target injection systems. Project description: The project has two main parts: the first is to expand on work carried out in the past year on simulating shot-to-shot fuel spray variability, increasing the depth of simulation data available for the single-hole research diesel injector originally chosen for the study; the second is to apply the perturbations techniques and methodologies to new injectors. Previous work was limited in the number of simulation realizations that were performed, requiring that time-averaging be used in addition to ensemble-averaging across the realizations to obtain statistically converged estimates for higher-order statistics such as the standard deviation. More spray realizations will be simulated to remove the need for time-averaging, allowing investigation of time-varying quantities. The number of realization necessary for different levels of statistical confidence will be estimated. The original perturbation methodology was to change the random number sequence used by the simulation, but there are other proposed methodologies, such as varying the initial turbulence kinetic energy, which will be investigated. The understandings of shot-to-shot variability will also be applied to new injectors, to make sure our methodology generalizes appropriately and to understand how the spray variability might depend on injector details. Industry partnership: Convergent Science Inc. Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 400000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: Storage requirements: 5 TB Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for GasTurbineCombustion
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: GasTurbineCombustion Division: ES Project title: Computation Fluid Dynamics Modeling of Soot Formation in Flames Associated funding: LDRD Other Systems: Science: This project will use an Eulerian-Lagrangian Computation Fluid Dynamics (CFD) software called CONVERGE to model the flame structure of a turbulent diffusion flame using large eddy simulations (LES). The primary objective of this study is to compare the capabilities of two combustion models - the flamelet generated manifold (FGM) and the homogenous reactor with detailed chemical kinetics (SAGE) - in predicting the spatial distributions of the temperature, major species and emissions in Sandia Flame D. Sandia Flame D is a partially premixed methane-air jet flame at a Reynolds number of 22,400 with a pilot flame to avoid flame extinction. Project description: The project is divided in two parts: In the first part of this study, large eddy simulations (LES) of the Sandia Flame D will be carried out using the flamelet generated manifold (FGM) model as the subgrid combustion model to study the effect of domain size, minimum grid size, and the inflow perturbations. FGM model is relatively inexpensive and can provide a fundamental understanding without consuming excessive core hours. In the second part of this study, the homogenous reactor with detailed chemical kinetics (SAGE) model will be employed using the domain and grid sizes determined in the first part of the study. The performance of the FGM and SAGE models will be critically compared by comparing the time-averaged fields of temperature and species mass fractions with the experimental measurements. The relative computational expenses of these two models will also be compared. Industry partnership: None Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 1000000 Q1: 250000 Q2: 250000 Q3: 250000 Q4: 250000 Justification: Our recent publication (J. Kodavasal, K. Harms, P. Srivastava, S. Som, S. Quan, K.J. Richards, M. Garcia, “Development of stiffness-based chemistry load balancing scheme, and optimization of I/O and communication, to enable massively parallel high-fidelity internal combustion engine simulations,” Journal of Energy Resource Technology; JERT-16-1022, 2016) together with MCS and Convergent Science discusses the improvements to the Converge tool that has resulted in significant improvement in scaling. Currently, we are able to scale the code up to 4096 processors on Mira with about 70% scaling efficiency for a fixed mesh size. This was achieved due to the implementation of: (1) MPI I/O, (2) Improved Communication, (3) METIS load balancing scheme, (4) Development of a new chemistry load balancing scheme. The above changes are not only expected to benefit calculations on Mira but also help on computing clusters like Fusion and Blues. Storage requirements: 5 TB Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for gm_gasexchange
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: gm_gasexchange Division: ES Project title: Modeling Cyclic Variability in the GM TCC Engine Using LES Associated funding: GM R&D Other Systems: GM R&D Science: This project will use an Eulerian-Lagrangian Computation Fluid Dynamics (CFD) software called CONVERGE to model the cyclic variability of an optically accessible spark ignition engine. The primary objective of the proposed research is to characterize the cyclic variability in internal combustion engines (ICE) as a result of gas exchange, fuel injection and spark discharge processes. This study will extend the parallel cycle methodology, which was demonstrated for motored engines, to fired engines. The secondary objectives of this study are to determine the minimum grid size and the number of cycles to be simulated such that the cyclic variability of the flowfield and in-cylinder pressures predicted by large eddy simulation (LES) are similar to those measured from experiments. Project description: The project is divided into three parts: In the first part, large eddy simulation (LES) will be used to model 50 consecutive cycles of the fired GM transparent combustion chamber (TCC) engine with a base grid size of 0.5 mm. Adaptive mesh refinement will be employed to resolve the flame region with a 0.125 mm grid. The mean and variance of the predicted flow field and the in-cylinder pressures will be compared to the PIV measurements. In the second part of this study, the parallel cycle methodology will be extended to the fired TCC engine, which will enable fast throughput computation of the cyclic variability. In the previous year, this methodology was demonstrated for motored conditions. In the final part of this study, the parallel cycle methodology will be used to perform a parametric study on the influence of numerical parameters like minimum grid size, number of cycles, and spark energy deposition on the predicted cyclic variability. Industry partnership: General Motors - Research and Development Group Project URL: http://verifi.anl.gov/ Current FY Hours Used: undetermined amount New FY Requested allocation: 400000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: Storage requirements: 5 TB Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for SprayFlame-LES
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Muhsin Ameen Project Name: SprayFlame-LES Division: ES Project title: Development of sub-grid turbulent combustion models for LES under engine conditions Associated funding: Strategic Initiative LDRD project, NSF-DOE project Other Systems: Science: This project will use an Eulerian-Lagrangian Computation Fluid Dynamics (CFD) software called CONVERGE to model reacting spray flames under diesel engine conditions. The primary objective of the proposed research is to examine the role of turbulent-chemistry-interaction (TCI) when coupled with large eddy simulation (LES) under engine conditions and to develop turbulent combustion models which are universally applicable to mixed regimes of combustion, including premixed and non-premixed flames with local ignition and extinction. This objective will be achieved through a collaborative effort by combining computational flame diagnostics, turbulence modeling, direct numerical simulation (DNS) and LES. The model development will be primarily based on chemical explosive mode analysis that can rigorously detect limit flame phenomena and elementary flamelets. Project description: In the previous year, a methodology which used chemical explosive mode analysis (CEMA) for flame zone segmentation was developed in the context of large eddy simulation (LES). The idea is to then employ different combustion models in the different resulting flame zones. The project for the current year is divided into three parts: In the first part, the tabulated flamelet model (TFM) and the tabulated equivalent strain flamelet (TESF) model will be extended to be employed for the post-ignition zone as part of the CEMA-based flame zone segmentation framework. In the second part of this project, this proposed methodology will be validated using direct numerical simulation (DNS) data. This will be done by performing large eddy simulation (LES) of transient mixing layer, and comparing the statistics of the flame development with a DNS database which is being generated at Sandia national laboratory. In the final part of this study, the proposed methodology wi ll be applied to model the ECN Spray A, which is a spray flame under conditions similar to diesel combustion. Parametric sweep of ambient temperature and ambient oxygen concentration will be performed with the new methodology. It is expected that the new methodology will lead to improved predictions of the flame development. Industry partnership: The project is between Argonne, UCONN and Sandia. It is expected that the results of the project will not only advance the state-of-the-art in LES combustion calculations but also significantly benefit industry research. Argonne will be performing the algorithm development, simulations, post-processing results, and writing technical reports. Sandia and UCONN will perform DNS study with simplified geometry and boundary conditions from Argonne’s work and provide feedback to Argonne. The models will be implemented in CONVERGE code owned by the software vendor CSI. Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 5000000 Q1: 1250000 Q2: 1250000 Q3: 1250000 Q4: 1250000 Justification: Our recent publication (J. Kodavasal, K. Harms, P. Srivastava, S. Som, S. Quan, K.J. Richards, M. Garcia, “Development of stiffness-based chemistry load balancing scheme, and optimization of I/O and communication, to enable massively parallel high-fidelity internal combustion engine simulations,” Journal of Energy Resource Technology; JERT-16-1022, 2016) together with MCS and Convergent Science discusses the improvements to the Converge tool that has resulted in significant improvement in scaling. Currently, we are able to scale the code up to 4096 processors on Mira with about 70% scaling efficiency for a fixed mesh size. This was achieved due to the implementation of: (1) MPI I/O, (2) Improved Communication, (3) METIS load balancing scheme, (4) Development of a new chemistry load balancing scheme. The above changes are not only expected to benefit calculations on Mira but also help on computing clusters like Fusion and Blues. Storage requirements: 5 TB. We have been allocated 5 TB for this project since the last few months. The size of the data generated from the current simulations is too large, and we require 5 TB for our requirements. Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for foam-EngineProcesses
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: foam-EngineProcesses Division: ES Project title: Spray-Wall Interaction Process for Internal Combustion Engines Application: a Numerical Spray-Wall Interaction Process for Internal Combustion Engines Application: a Numerical Investigation with Global and Local Characterization of the Spray Morphology Associated funding: DOE-Vehicle Technologies Office Other Systems: Michigan Technological University Science: It is well established that in-nozzle fuel flow behavior influences the downstream spray which in turn affects the fuel-air mixing, ignition, combustion, and emission characteristics. However, most of the computational research till date has focused on developing either nozzle flow or downstream spray-combustion models with only adhoc coupling at the nozzle exit boundary. Due to the lack of a robust coupling methodology between in-nozzle flow and downstream spray, the existing tools to simulate engine performance often are not predictive in nature. Quantitative experimental data in the near-nozzle region is also difficult to obtain in this dense core region. This is a major limitation towards validating nozzle flow and spray models. In-nozzle flow simulations for diesel injector nozzles have mainly been performed with three different modeling approaches: (1) mixture based Eulerian, (2) multi-fluid Eulerian, and (3) Eulerian-Lagrangian model. Project description: This project involves Argonne National Laboratory as part of a multi-institutional team including also Michigan Technological University (MTU) and University of Massachussets at Dartmouth (UMassD). The goal of this work is to develop and validate an advanced spray-wall interaction and associated film formation and vaporization modeling approach via application of a VOF method with an integrated evaporation sub-model (eVOF). With the inclusion of a vaporization sub-model for the film and the results of the DNS analysis of spray-wall impingement, accurate predictive simulations of sprays and their impingement can be eventually performed without need of extensive parameter tuning. The project will also develop sub-models for droplet formation characteristics post-wall impingement via details DNS and LES models which are supported by accurate experimentation. Targeted experimentation of the spray-wall interactions and liquid wall film under conditions matchi ng the thermodynamic charge state and surface temperatures to those of engines will be performed to support development and validation of the spray-wall interaction models. Industry partnership: None Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 1000000 Q1: 250000 Q2: 250000 Q3: 250000 Q4: 250000 Justification: Our recent publication (J. Kodavasal, K. Harms, P. Srivastava, S. Som, S. Quan, K.J. Richards, M. Garcia, “Development of stiffness-based chemistry load balancing scheme, and optimization of I/O and communication, to enable massively parallel high-fidelity internal combustion engine simulations,” Journal of Energy Resource Technology; JERT-16-1022, 2016) together with MCS and Convergent Science discusses the improvements to the Converge tool that has resulted in significant improvement in scaling. Currently, we are able to scale the code up to 4096 processors on Mira with about 70% scaling efficiency for a fixed mesh size. This was achieved due to the implementation of: (1) MPI I/O, (2) Improved Communication, (3) METIS load balancing scheme, (4) Development of a new chemistry load balancing scheme. Storage requirements: 5 TB Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for dual-fuel-sprays
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: dual-fuel-sprays Division: ES Project title: CFD Simulation of a realistic heavy-duty injector geometry with Naphtha Fuels and VOF Mixture Modeling Associated funding: Aramco service company Other Systems: Aramco service company Science: This project will use a fully Eulerian modeling of internal nozzle flows by means of Computational Fluid Dynamics (CFD) simulations performed with a software called CONVERGE. The focus will be placed on the modeling of all the physical phenomena that are associated with the high pressure injection of fuel in the combustion chamber of internal combustion engines. Particular attention will be dedicated to the prediction of in-nozzle cavitation through the Homogeneous Relaxation Model (HRM) when Naphtha fuels characterized by relatively high levels of saturation pressure are used. Project description: The project will continue an ongoing activity and will address the evaluation of the behavior of Naphtha fuels in internal nozzle flows when realistic injector geometry and needle motions are involved. The project will explore the possibility of applying previously validated methodologies and setups to a multi-hole heavy-duty injector. Experimental validation for the Naphtha fuels by means of comparison against CFD results will be performed. Possible outcome will be the development of an erosion model to assess the effect of cavitation by identifying those zones of the internal geometry that could be more affected by the cavitation occurrence. Final key point of the collaboration will be to incorporate all the learnings from the internal nozzle flow simulation into actual combustion system optimization study. Industry partnership: Aramco Service company Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 400000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: Storage requirements: 5 TB Thank You, The LCRC Accounts System

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New LCRC report submitted for SHARP_ARC
by support＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2016/?project=SHARP_ARC

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New LCRC report submitted for chemexp
by support＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2016/?project=chemexp

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[LCRC Accounts] Yearly Allocation Request for OP_GCIsimulations
by accounts＠lcrc.anl.gov 06 Sep '16

06 Sep '16

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Sibendu Som Project Name: OP_GCIsimulations Division: Energy Systems Project title: Optimizing Gasoline Compression Ignition in Opposed Piston Engine Configuration with CFD Associated funding: DOE ARPAE-E Other Systems: Achates Power Inc. (API), Delphi Science: Under this ARPA-E project we have proposed to develop and demonstrate a multi-cylinder opposed piston (OP) engine operating on gasoline fuel with compression ignition. Combustion development shall be performed on a single cylinder version of Opposed Piston Gasoline Compression Ignition (OPGCI) engine heavily guided by Computational Fluid Dynamics (CFD) simulations. Engineering requirements with opposed piston motion together with scientific challenges involved in efficiently combusting gasoline fuel in this engine architecture will be tackled using high-fidelity combustion simulations and massive optimization studies. Based on our simulations, the new engine is expected to demonstrate a 30% improvement in brake thermal efficiency (BTE) over conventional light-duty diesel engines. This level of improvement with cost-effectiveness over modern diesel engines will be disruptive to the transportation industry and in-line with ARPA-E goals. Project description: operating on gasoline fuel with compression ignition. Combustion development shall be performed on a single cylinder version of Opposed Piston Gasoline Compression Ignition (OPGCI) engine and results will be scaled to develop a Multi Cylinder version. The demonstrated engine will be a 3-cylinder OP two-stroke engine for Light-duty truck applications. The proposed technology will not only provide a 30% improvement in brake thermal efficiency (BTE) over conventional light-duty diesel engines, but will also accomplish that without expensive fuel injection and after treatment systems. This level of improvement with cost-effectiveness over modern diesel engines will be disruptive to the transportation industry. Industry partnership: Achates Power Inc., Delphi Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Current FY Hours Used: undetermined amount New FY Requested allocation: 300000 Q1: 75000 Q2: 75000 Q3: 75000 Q4: 75000 Justification: None Storage requirements: 5 TB Thank You, The LCRC Accounts System

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