March 2014 - Allocations-admins - mailman3.cels.anl.gov

[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 07 Mar '14

07 Mar '14

Hello, A change in allocation has been requested: Requester: leaf (Gary Leaf) Project: dynamics Title: Dynamics of biophysical systems. Description: The goal of our computations for the reduced model of a sodium channel is to compute the dependence of the free energy components for the channel. We investigate the dependence on such factors as channel size, cation size in relation to channel size, ion charge, protein polarization effects, and polarization effects in the channel. The object is to gain a deeper understanding of the selectivity mechanism whereby some ions are selected over others for transport through the channel. This is in spite of the difference in concentration outside the channel. Our computations are based on using a Grand Canonical Monte Carlo (GCMC) scheme to compute the free energy components as well as the expected ionic concentration in the filter portion of the channel. For a given state (configuration and parameter settings) we compute a multiple set of final realizations in parallel. The number of realizations ranges from 24 to 48 with 32 being the usual number. We expect each GCMC calculation will require on the order of 40K steps with 50-70 particle insertion/deletion attempts as part of the free energy calculation. Our computational study will divided into three main segments. Each segment has three parts that are essentially the same for each segment. Segment I. Here we model with a homogeneous dielectric; so that there is no polarization effects from either the protein or the or the channel. The object is to isolate the effect of excluded volume on selectivity. Because this model is homogeneous, the computations are relatively short. On the order of 8 hours per calculation. Part A. Vary the filter pore radius: R = 3.0 3.5 4.0 4.5 5.0 Angs Part B. Vary the type of cation competing with sodium. Part C. Study the transmission of sodium over calcium for a sodium channel by gradually titrating calcium into the system. Because the this model homogeneous, the computations are very modest. We estimate that the study for segment I will require on the order of 4000 core-hours using 32 cores per computation. Cost: 4000 core-hours for Segment I study. Segment II. Study the role of protein polarization by varying the protein dielectric. This model is inhomogeneous, hence considerably more computationally expensive. This study has the same three parts as Segment I, but more calculations for each part as well as the increased cost of each run. We estimate that this portion of the study will involve about 60 cases covering the parameter ranges. Using 32 cores, although 48 may be needed, each will require on the order of 1664-2496 core-hours. Based on 60 cases this yields Cost : 99840-149760 core-hours for Segment II study Segment III. Study the role of polarization in the sodium channel by varying the channel dielectric. These cases also involve an inhomogeneous model; thus the cost will be comparable to the cost of the study in Segment II. Cost : 99840-149760 core-hours for Segment III study. Current: undetermined amount Justification: Requested: 80000 A specific reason has been given: We need to finish runs for the current quarter but are running low on allocation. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Bair, Raymond A. 07 Mar '14

07 Mar '14

This came to my inbox twice, but I think there is only one request for 100K for Q2. Seems OK. Ray On 3/7/14 10:22 AM, "accounts(a)lcrc.anl.gov" <accounts(a)lcrc.anl.gov> wrote: >Hello, > >A change in allocation has been requested: > > Requester: kclau (Kah Chun Lau) > Project: Li_air_battery > Title: Computational studies of Li-Air battery components > Description: Project Renewal Request: > >In the coming fiscal year (FY2014), we will need 1200 000 core-hour to >complete our project. We will complete our current on-going work and >explore different problems in Li-air batteries based on experimental >input from our colleagues at ANL. To complete the current ongoing study >(i.e. Li2O2 interaction on Ag_n nanoclusters catalyst/Al2O3 coated >electrode), our experience indicates that 100, 000 hours is required. > >For our new study at FY2014, the computational methods will involve >largely AIMD (CPMD, VASP) and DFT method (Gaussian09, VASP). For >Gaussian09, the DFT calculation scales well up to 8 processors and for >4-8 nodes is the optimal number of nodes for geometry optimization for >system size below 100 atoms. We will require about 200,000 core hours to >study the Electron Paramagnetic Resonance (EPR) of O-rich Li2O2, Li2O2 >and LiO2 nanoparticles, electrochemical stability and reaction paths of >Li2O2 nanoparticles with DMSO and hydrophobic ionic liquids solvents >against different Li salts in gas phase and solution phase. > >To extend our previous DFT study on Li2O2 (crystalline bulk, surfaces and >clusters) system, more extensive solid phases of Li2O2/LiO2 and >Li2O/Li2O2/LiO2 hetero-interfaces, grain boundaries, and amorphous phases >together with the equation of states, mechanical, electronic and >thermodynamic properties will be explored using DFT planewave VASP code. >The VASP code is well-parallelized for 64-72 cores for 100-200 atoms >system for a finite k-point calculation. For a single Γ-point calculation >with a total atom ~ 300 atoms, a parallel efficiency of ~ 60% -75% can be >achieved using 256 cores. Thus to explore a moderately large systems (~ >200-300 atoms), 200 000 core-hour is needed to perform the tasks. > >To correlate the Li-air cell with other new metal-air system (e.g. >Na-air, K-air cell), the crystalline bulk and surfaces of Na-O2 and K-O2 >(e.g. Na2O2, NaO2, K2O2, KO2) based on DFT calculations will be carried >out using VASP code. Thus an extra 200 000 core-hour is needed. > >In addition, the larger system of combined electrolyte/electrode >(electrolyte/Li2O2/electrode with and without metal catalyst) interfaces >will be computed using CPMD and VASP code. For system involves metal >surfaces and metal-catalyst (e.g. Au, Cu, Pt) that involves d-orbital >electrons, the constrained-AIMD and nudge-elastic-band method implemented >in VASP code and metadynamics approach based on CPMD code will be used to >explore the chemical reactions. In particular, the atomistic features of >electric double-layer at the metallic cathode interfaces in Li-Air >battery will be systematically studied in close collaborations with >experimentalist (e.g. Nenad Markovic’s group and K. Amine’s group) at >Argonne. In order to have a reliable statistics and long enough >simulation time, we will require about 500, 000 core hours to complete >these computational intensive simulations. > > > > Current: undetermined amount >Justification: For the details and evidence how to use the hours >effectively, please see the project description and project report >(FY2013). Further details of the scaling and the performance of the codes >can be found as follows: > >(1) VASP: >http://cms.mpi.univie.ac.at/vasp/vasp/Performance_parallel_code_on_various >_machines.html > >(2) CPMD: http://cpmd.org/documentation > >(3) Gaussian09: http://www.gaussian.com/g_prod/g09_glance.htm > > > > Requested: 100000 > >A specific reason has been given: >First half of the allocation has been used up and needs additional time >to finish up on-going works that needs for manuscript write-up. > >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 07 Mar '14

07 Mar '14

Hello, A change in allocation has been requested: Requester: kclau (Kah Chun Lau) Project: Li_air_battery Title: Computational studies of Li-Air battery components Description: Project Renewal Request: In the coming fiscal year (FY2014), we will need 1200 000 core-hour to complete our project. We will complete our current on-going work and explore different problems in Li-air batteries based on experimental input from our colleagues at ANL. To complete the current ongoing study (i.e. Li2O2 interaction on Ag_n nanoclusters catalyst/Al2O3 coated electrode), our experience indicates that 100, 000 hours is required. For our new study at FY2014, the computational methods will involve largely AIMD (CPMD, VASP) and DFT method (Gaussian09, VASP). For Gaussian09, the DFT calculation scales well up to 8 processors and for 4-8 nodes is the optimal number of nodes for geometry optimization for system size below 100 atoms. We will require about 200,000 core hours to study the Electron Paramagnetic Resonance (EPR) of O-rich Li2O2, Li2O2 and LiO2 nanoparticles, electrochemical stability and reaction paths of Li2O2 nanoparticles with DMSO and hydrophobic ionic liquids solvents against different Li salts in gas phase and solution phase. To extend our previous DFT study on Li2O2 (crystalline bulk, surfaces and clusters) system, more extensive solid phases of Li2O2/LiO2 and Li2O/Li2O2/LiO2 hetero-interfaces, grain boundaries, and amorphous phases together with the equation of states, mechanical, electronic and thermodynamic properties will be explored using DFT planewave VASP code. The VASP code is well-parallelized for 64-72 cores for 100-200 atoms system for a finite k-point calculation. For a single Γ-point calculation with a total atom ~ 300 atoms, a parallel efficiency of ~ 60% -75% can be achieved using 256 cores. Thus to explore a moderately large systems (~ 200-300 atoms), 200 000 core-hour is needed to perform the tasks. To correlate the Li-air cell with other new metal-air system (e.g. Na-air, K-air cell), the crystalline bulk and surfaces of Na-O2 and K-O2 (e.g. Na2O2, NaO2, K2O2, KO2) based on DFT calculations will be carried out using VASP code. Thus an extra 200 000 core-hour is needed. In addition, the larger system of combined electrolyte/electrode (electrolyte/Li2O2/electrode with and without metal catalyst) interfaces will be computed using CPMD and VASP code. For system involves metal surfaces and metal-catalyst (e.g. Au, Cu, Pt) that involves d-orbital electrons, the constrained-AIMD and nudge-elastic-band method implemented in VASP code and metadynamics approach based on CPMD code will be used to explore the chemical reactions. In particular, the atomistic features of electric double-layer at the metallic cathode interfaces in Li-Air battery will be systematically studied in close collaborations with experimentalist (e.g. Nenad Markovic’s group and K. Amine’s group) at Argonne. In order to have a reliable statistics and long enough simulation time, we will require about 500, 000 core hours to complete these computational intensive simulations. Current: undetermined amount Justification: For the details and evidence how to use the hours effectively, please see the project description and project report (FY2013). Further details of the scaling and the performance of the codes can be found as follows: (1) VASP: http://cms.mpi.univie.ac.at/vasp/vasp/Performance_parallel_code_on_various_… (2) CPMD: http://cpmd.org/documentation (3) Gaussian09: http://www.gaussian.com/g_prod/g09_glance.htm Requested: 100000 A specific reason has been given: First half of the allocation has been used up and needs additional time to finish up on-going works that needs for manuscript write-up. 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 07 Mar '14

07 Mar '14

Hello, A change in allocation has been requested: Requester: kclau (Kah Chun Lau) Project: Li_air_battery Title: Computational studies of Li-Air battery components Description: Project Renewal Request: In the coming fiscal year (FY2014), we will need 1200 000 core-hour to complete our project. We will complete our current on-going work and explore different problems in Li-air batteries based on experimental input from our colleagues at ANL. To complete the current ongoing study (i.e. Li2O2 interaction on Ag_n nanoclusters catalyst/Al2O3 coated electrode), our experience indicates that 100, 000 hours is required. For our new study at FY2014, the computational methods will involve largely AIMD (CPMD, VASP) and DFT method (Gaussian09, VASP). For Gaussian09, the DFT calculation scales well up to 8 processors and for 4-8 nodes is the optimal number of nodes for geometry optimization for system size below 100 atoms. We will require about 200,000 core hours to study the Electron Paramagnetic Resonance (EPR) of O-rich Li2O2, Li2O2 and LiO2 nanoparticles, electrochemical stability and reaction paths of Li2O2 nanoparticles with DMSO and hydrophobic ionic liquids solvents against different Li salts in gas phase and solution phase. To extend our previous DFT study on Li2O2 (crystalline bulk, surfaces and clusters) system, more extensive solid phases of Li2O2/LiO2 and Li2O/Li2O2/LiO2 hetero-interfaces, grain boundaries, and amorphous phases together with the equation of states, mechanical, electronic and thermodynamic properties will be explored using DFT planewave VASP code. The VASP code is well-parallelized for 64-72 cores for 100-200 atoms system for a finite k-point calculation. For a single Γ-point calculation with a total atom ~ 300 atoms, a parallel efficiency of ~ 60% -75% can be achieved using 256 cores. Thus to explore a moderately large systems (~ 200-300 atoms), 200 000 core-hour is needed to perform the tasks. To correlate the Li-air cell with other new metal-air system (e.g. Na-air, K-air cell), the crystalline bulk and surfaces of Na-O2 and K-O2 (e.g. Na2O2, NaO2, K2O2, KO2) based on DFT calculations will be carried out using VASP code. Thus an extra 200 000 core-hour is needed. In addition, the larger system of combined electrolyte/electrode (electrolyte/Li2O2/electrode with and without metal catalyst) interfaces will be computed using CPMD and VASP code. For system involves metal surfaces and metal-catalyst (e.g. Au, Cu, Pt) that involves d-orbital electrons, the constrained-AIMD and nudge-elastic-band method implemented in VASP code and metadynamics approach based on CPMD code will be used to explore the chemical reactions. In particular, the atomistic features of electric double-layer at the metallic cathode interfaces in Li-Air battery will be systematically studied in close collaborations with experimentalist (e.g. Nenad Markovic’s group and K. Amine’s group) at Argonne. In order to have a reliable statistics and long enough simulation time, we will require about 500, 000 core hours to complete these computational intensive simulations. Current: undetermined amount Justification: For the details and evidence how to use the hours effectively, please see the project description and project report (FY2013). Further details of the scaling and the performance of the codes can be found as follows: (1) VASP: http://cms.mpi.univie.ac.at/vasp/vasp/Performance_parallel_code_on_various_… (2) CPMD: http://cpmd.org/documentation (3) Gaussian09: http://www.gaussian.com/g_prod/g09_glance.htm Requested: 100000 A specific reason has been given: First half of the allocation has been used up and needs additional time to finish up on-going works that needs for manuscript write-up. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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Re: [allocations-admins] [LCRC Accounts] Project Request: COMPASSOPT
by Aithal, Shashikant M. 06 Mar '14

06 Mar '14

I talked to Stefan before Jeff submitted the request ... I told him he can add a small amount (say 5k) to Q2, but Stefan said April 1st is fine ... ________________________________________ ________________________________________ From: allocations-admins-bounces(a)lists.lcrc.anl.gov [allocations-admins-bounces(a)lists.lcrc.anl.gov] on behalf of Bair, Raymond A. [rbair(a)anl.gov] Sent: Thursday, March 06, 2014 11:23 AM To: LCRC Allocations Admins Subject: Re: [allocations-admins] [LCRC Accounts] Project Request: COMPASSOPT I wonder if he would like to start now, instead of April 1. Ray On 3/6/14 11:20 AM, "accounts(a)lcrc.anl.gov" <accounts(a)lcrc.anl.gov> wrote: >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: Jeff Larson >Applicant's institution: ANL > Applicant's division: MCS > Project Name: COMPASSOPT > Project title: Numerical Optimization of the Synergia2 >particle accelerator simulations > Associated funding: Office of Science â€” High Energy Physics and >Advanced Scientific Computing Research > Other Systems: MCS compute nodes (The project also has a 2014 >INCITE allocation) > Science: Particle accelerators are critical to >scientific discovery, both nationally and worldwide. The development and >optimization of accelerators are essential for advancing our >understanding of the fundamental properties of matter, energy, space and >time. As a part of the ComPASS project, state-of-the-art particle >accelerator simulators have been developed. > Project description: We are looking to use recently implemented >multi-scale, multi-start derivative-free optimization routines on >Synergia2 particle accelerator simulations in order to direct the design >of future accelerators. > >The software that we will require is python (including the latest version >of mpi4py), mpich2, and libraries called by Synergia2 (e.g., BOOST, >HDF5). > >Our optimization routine employs an asynchronous master/slave paradigm. >Initial runs of our code on desktop computers have shown promising >speed-up times through the range of slaves we will be using on Fusion. >Doubling slaves results in a 49%-50% decrease in computational time. >Still, much of the performance will depend on how efficient Synergia2 >uses the resources provided to it. ComPASS codes obtain good scalability >and parallel performance efficiency to several tens of thousands of >processors. > >There will be two project members, Jeffrey Larson and Stefan Wild. > >We expect to need a much larger allocation of compute hours starting in >FY15, but this initial allocation will allow us to ensure the continued >scalability of our optimization routines. > > Project URL: http://compass.fnal.gov > Requested allocation: 18000 > Q1: 0 > Q2: 0 > Q3: 8000 > Q4: 10000 > 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 _______________________________________________ allocations-admins mailing list allocations-admins(a)lists.lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] [LCRC Accounts] Project Request: COMPASSOPT
by Bair, Raymond A. 06 Mar '14

06 Mar '14

I wonder if he would like to start now, instead of April 1. Ray On 3/6/14 11:20 AM, "accounts(a)lcrc.anl.gov" <accounts(a)lcrc.anl.gov> wrote: >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: Jeff Larson >Applicant's institution: ANL > Applicant's division: MCS > Project Name: COMPASSOPT > Project title: Numerical Optimization of the Synergia2 >particle accelerator simulations > Associated funding: Office of Science â€” High Energy Physics and >Advanced Scientific Computing Research > Other Systems: MCS compute nodes (The project also has a 2014 >INCITE allocation) > Science: Particle accelerators are critical to >scientific discovery, both nationally and worldwide. The development and >optimization of accelerators are essential for advancing our >understanding of the fundamental properties of matter, energy, space and >time. As a part of the ComPASS project, state-of-the-art particle >accelerator simulators have been developed. > Project description: We are looking to use recently implemented >multi-scale, multi-start derivative-free optimization routines on >Synergia2 particle accelerator simulations in order to direct the design >of future accelerators. > >The software that we will require is python (including the latest version >of mpi4py), mpich2, and libraries called by Synergia2 (e.g., BOOST, >HDF5). > >Our optimization routine employs an asynchronous master/slave paradigm. >Initial runs of our code on desktop computers have shown promising >speed-up times through the range of slaves we will be using on Fusion. >Doubling slaves results in a 49%-50% decrease in computational time. >Still, much of the performance will depend on how efficient Synergia2 >uses the resources provided to it. ComPASS codes obtain good scalability >and parallel performance efficiency to several tens of thousands of >processors. > >There will be two project members, Jeffrey Larson and Stefan Wild. > >We expect to need a much larger allocation of compute hours starting in >FY15, but this initial allocation will allow us to ensure the continued >scalability of our optimization routines. > > Project URL: http://compass.fnal.gov > Requested allocation: 18000 > Q1: 0 > Q2: 0 > Q3: 8000 > Q4: 10000 > 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: COMPASSOPT
by accounts＠lcrc.anl.gov 06 Mar '14

06 Mar '14

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: Jeff Larson Applicant's institution: ANL Applicant's division: MCS Project Name: COMPASSOPT Project title: Numerical Optimization of the Synergia2 particle accelerator simulations Associated funding: Office of Science — High Energy Physics and Advanced Scientific Computing Research Other Systems: MCS compute nodes (The project also has a 2014 INCITE allocation) Science: Particle accelerators are critical to scientific discovery, both nationally and worldwide. The development and optimization of accelerators are essential for advancing our understanding of the fundamental properties of matter, energy, space and time. As a part of the ComPASS project, state-of-the-art particle accelerator simulators have been developed. Project description: We are looking to use recently implemented multi-scale, multi-start derivative-free optimization routines on Synergia2 particle accelerator simulations in order to direct the design of future accelerators. The software that we will require is python (including the latest version of mpi4py), mpich2, and libraries called by Synergia2 (e.g., BOOST, HDF5). Our optimization routine employs an asynchronous master/slave paradigm. Initial runs of our code on desktop computers have shown promising speed-up times through the range of slaves we will be using on Fusion. Doubling slaves results in a 49%-50% decrease in computational time. Still, much of the performance will depend on how efficient Synergia2 uses the resources provided to it. ComPASS codes obtain good scalability and parallel performance efficiency to several tens of thousands of processors. There will be two project members, Jeffrey Larson and Stefan Wild. We expect to need a much larger allocation of compute hours starting in FY15, but this initial allocation will allow us to ensure the continued scalability of our optimization routines. Project URL: http://compass.fnal.gov Requested allocation: 18000 Q1: 0 Q2: 0 Q3: 8000 Q4: 10000 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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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by John Valdes 04 Mar '14

04 Mar '14

Granted. John On Tue, Mar 04, 2014 at 11:21:09PM +0000, Bair, Raymond A. wrote: > Looks OK to me. +30K for Q2. > > On 3/4/14 5:07 PM, "accounts(a)lcrc.anl.gov" <accounts(a)lcrc.anl.gov> wrote: > > >A change in allocation has been requested: > > > > Requester: scarcell (Riccardo Scarcelli) > > Project: GDI_lean_burn [...] > > Requested: 30000

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Bair, Raymond A. 04 Mar '14

04 Mar '14

Looks OK to me. +30K for Q2. Ray On 3/4/14 5:07 PM, "accounts(a)lcrc.anl.gov" <accounts(a)lcrc.anl.gov> wrote: >Hello, > >A change in allocation has been requested: > > Requester: scarcell (Riccardo Scarcelli) > Project: GDI_lean_burn > Title: Investigation of advanced, high-efficiency, lean-burn or >dilute gasoline combustion > Description: Specific tasks designed to mitigate this barrier include a >comprehensive understanding of intake air flow, evolution of the fuel >spray, ignition, combustion and emissions formation mechanisms, and their >interaction with chamber/piston geometry and fuel injection strategies >over a wide operating range as well as a systematic investigation of new >ignition systems. 3D-CFD simulation will provide proper insight into the >experimental results and offer guidance for improvements. Following the >homogeneous operation, basic stratification strategies will be proposed >through CFD and evaluated experimentally. > >Upon completion of the baseline engine assessment the focus will be >shifted towards evaluation of advanced ignition systems.Improved >combustion stability as well as potential extension of lean operating >limits are going to be the key criteria for the assessment of advanced >ignition systems. Given the different performance variables of these >advanced ignition systems (ignition energy, location of ignition, >multi-pulse etc.), 3D-CFD simulation will play a key role in determining >engine operating parameters to fully utilize the potential of each >advanced ignition system. > >CFD simulations will be performed with CONVERGE > Current: undetermined amount >Justification: > > Requested: 30000 > >A specific reason has been given: >I am kindly requesting 30,000 additional core-hrs for the 2nd quarter. I >need to complete my simulations by the end of March since I have a couple >of important deadlines (publications + annual merit review) > >This needs to be approved and the final allocation amount decided upon. > >Thank You, >The LCRC Accounts System >_______________________________________________ >allocations-admins mailing list >allocations-admins(a)lists.lcrc.anl.gov >https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 04 Mar '14

04 Mar '14

Hello, A change in allocation has been requested: Requester: scarcell (Riccardo Scarcelli) Project: GDI_lean_burn Title: Investigation of advanced, high-efficiency, lean-burn or dilute gasoline combustion Description: Specific tasks designed to mitigate this barrier include a comprehensive understanding of intake air flow, evolution of the fuel spray, ignition, combustion and emissions formation mechanisms, and their interaction with chamber/piston geometry and fuel injection strategies over a wide operating range as well as a systematic investigation of new ignition systems. 3D-CFD simulation will provide proper insight into the experimental results and offer guidance for improvements. Following the homogeneous operation, basic stratification strategies will be proposed through CFD and evaluated experimentally. Upon completion of the baseline engine assessment the focus will be shifted towards evaluation of advanced ignition systems.Improved combustion stability as well as potential extension of lean operating limits are going to be the key criteria for the assessment of advanced ignition systems. Given the different performance variables of these advanced ignition systems (ignition energy, location of ignition, multi-pulse etc.), 3D-CFD simulation will play a key role in determining engine operating parameters to fully utilize the potential of each advanced ignition system. CFD simulations will be performed with CONVERGE Current: undetermined amount Justification: Requested: 30000 A specific reason has been given: I am kindly requesting 30,000 additional core-hrs for the 2nd quarter. I need to complete my simulations by the end of March since I have a couple of important deadlines (publications + annual merit review) This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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