January 2013 - Allocations-admins - mailman3.cels.anl.gov

[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 08 Jan '13

08 Jan '13

Hello, A change in allocation has been requested: Requester: ssom (Sibendu Som) Project: foam-EngineProcesses Title: Assessment of OpenFOAM for different Engine-Process Applications Description: CFD problems in general are not linearly scalable because of the need for high inter-processor communication. This results in loss of computational efficiency. Performance monitoring tools will be used extensively to understand computation and communication patterns for various physical models (turbulence, transport properties), chemistry mechanisms (varying number of species and reactions) and grid-sizes. Based on these studies, different domain decomposition approaches will be assessed for optimum load-balancing among different processors. Strong and weak scalability for various problem-sizes will thus be assessed. Current: undetermined amount Justification: Requested: 100000 A specific reason has been given: The allocation was lower than the original request during the committee meeting. Additionally some large cases crashed which was not expected which resulted in further loss of allocated hours. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 08 Jan '13

08 Jan '13

Hello, A change in allocation has been requested: Requester: ssom (Sibendu Som) Project: biodiesel-combustion Title: Computation Fluid Dynamics Modeling of Petrodiesel and Biodiesel Description: The project is dived in two parts: In the first part, engine processes will be modeled using petrodiesel. The spray data obtained from Advanced Photo Source at Argonne and single-cylinder engine performance and emission data from CAT cell will be used to further develop and validate spray and combustion models in CONVERGE and perform parametric studies. The major motivation is to develop more predictive and robust sub-models for capturing diesel engine processes. In the second part, fundamental studies will be performed to establish flame stabilization and lift-off characteristics of biodiesel using CONVERGE. A new surrogate (consisting of methyl decanoate, methyl 9 decenoate, n-heptane) fuel will be used for modeling the combustion characteristics of biodiesel. Comparison will be performed between inner nozzle flow, non-evaporating and evaporating spray, combustion characteristics, engine performance and emission characteristics of biodiesel and petrodiesel. B iodiesel fuel obtained from different feedstocks such as Soy, Cuphea, Rape-seed will be modeled. Blends of biodiesel with diesel fuel will also be simulated. The CONVERGE software has been observed to scale well up to 96 processors and full-cycle engine simulations. Current: undetermined amount Justification: Requested: 100000 A specific reason has been given: The allocation provided was lower than the original request during the allocation committee meeting. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Request: cavitation-modeling
by accounts＠lcrc.anl.gov 08 Jan '13

08 Jan '13

Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Sibendu Som Applicant's institution: ANL Applicant's division: Energy Systems Project Name: cavitation-modeling Project title: Development of cavitation models for compression ignition engines Associated funding: DOE - Office of Vehicle Technologies Other Systems: Science: Injection process plays a significant role in the optimization of internal combustion engines. Performance of direct injection engines is strongly affected by fuel spray quality. Atomization process and spray development largely depends on nozzle design. Inside the injector, fuel can be subjected to cavitation which acts as a mean for promoting liquid break-up thus enhancing primary atomization. Three dimensional un-steady fluid dynamics simulations of the injector internal fluid domain can capture much of the physics involved in the phenomenon. The nature of the inner nozzle flow at the orifice exit directly impacts the fuel atomization and spray. Therefore a link with the primary atomization model is necessary and straightforward. Droplet size, velocity and many other relevant quantities can be inferred from the inner nozzle flow. Different classes of models can be conceived in this area of primary breakup modeling (in order of complexity: PDF assu mption, atomization without spatial resolution, with spatial resolution, ELSA models, LES, DNS) with different levels of complexities. Project description: This research activity will mainly focus on comparing the cavitation models existing in the state-of-the-art engine modeling codes CONVERGE, OpenFOAM, and AVL-FIRE. Most cavitation models assume that vapor formation is initiated by the presence of cavitation nuclei which grow to become bubbles and then to form the complex structures also observed experimentally. The transport of vapor can be modeled either as discrete vapor bubbles or as a continuum. The Lagrangian tracked approach can handle natively different velocities for bubbles and liquid by solving the Newton law expressing the balance of forces acting on them. Among Eulerian methods, the multi-fluid model (implemented in AVL-FIRE) is conceptually superior to the single-fluid model (implemented in CONVERGE), since the latter is a homogeneous method therefore only one velocity is shared by all phases; while in a multi-fluid model each phase has its own velocity since momentum is solved separately for each fluid. In this case proper source terms accounting for the exchange of momentum between the phases have to be accounted for. In addition to that, a number of other physical processes have to be simulated. The most important one is the mechanism leading to bubble growth/collapse, i.e. the mass exchange model in cavitating conditions. The so-called Rayleigh-Plesset equation forms the basis for this modeling. The complete non-linear form, even if it is numerically stiff to be integrated, can be implemented in a multi-fluid model. Cavitation threshold can be expressed in terms of saturation pressure if the flow is quasi-steady, or adding viscous shear stress effects for high viscous or high velocity flows. By introducing a plenum for the outlet chamber and using a three-fluid model consisting of liquid, vapor and air, the nozzle outlet region can be resolved. This avoids the setting of unphysical boundary conditions at the nozzle exit and it allows reproducing the flow field accurately even in the proximity of the outlet. In case of super-cavitation the vapor plume can extend slightly beyond the outlet ; in case of hydraulic flip air can re-enter the hole region. An advantage of this approach is that the nozzle flow analysis is coupled to the in-cylinder flow, which results in the possibility of consideration of in-cylinder pressure variations, recirculation in cavitating flows (hydraulic flip), etc. Specific deliverables: -Comparison between single-fluid model (CONVERGE) and multi-fluid (FIRE) models and validation against experimental x-ray radiography data from Argonne. -Perform transient simulations of ECN injectors and perform validation against ECN data -Compare CONVERGE and FIRE results against transient ECN data -Assessment of transient effects: Series of steady simulations at fixed lift vs. transient simulations. -True needle movement (by x-ray visualization, Argonne) vs. idealized needle movement with n-dodecane as diesel surrogate -Coupling with outlet chamber in steady and time varying pressures (combustion chamber conditions) Project URL: http://www.transportation.anl.gov/engines/multi_dim_model_home.html Requested allocation: 499000 Q1: 0 Q2: 200000 Q3: 150000 Q4: 149000 Justification: The requester has used undetermined amount hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Request: Hospital_Microbiome
by accounts＠lcrc.anl.gov 07 Jan '13

07 Jan '13

Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Daniel Smith Applicant's institution: ANL Applicant's division: CLS Project Name: Hospital_Microbiome Project title: Hospital Microbiome Project Associated funding: Alfred P. Sloan Foundation Other Systems: None Science: The Hospital Microbiome Project will characterize the taxonomic composition of surface-, air-, water-, and human-associated microbial communities in two hospitals to monitor changes in community structure following the introduction of patients and hospital staff. The specific aim is to determine the influence of population demographics, how the demographic interfaces with a space, and the building materials used to create that space, on the community succession, and rate of colonization by potential pathogens. Project description: This project will generate 15,000 16S DNA sequence data sets, each representing the bacterial population in a biological sample. To identify trends within an between sets of these samples, this project will employ the QIIME software suite. This bioinformatic package is a collection of python scripts designed to process biological sequence data, from determining a sequence's taxonomic origin, to computing statistical significance of patterns, to generating publication-quality figures. This software will be installed and run from the home directory, and will not need additional dependencies. The QIIME software suite is described in this 2010 Nature Methods paper: http://www.nature.com/nmeth/journal/v7/n5/full/nmeth.f.303.html and is one of the standard tools for biological sequence analysis, designed for high-throughput computing in computing cluster environments. Initially, analyses will be conducted on one node, and carefully monitored before automated pipelines are implemented. As such, most computing for this project will take place on a single computing node. We expect approximately 6 members of our research team will need access to the Fusion cluster to work on this project. Project URL: http://hospitalmicrobiome.com/ Requested allocation: 400000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: The requester has used undetermined amount hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System

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