September 2011 - Allocations-admins - mailman3.cels.anl.gov

New LCRC report submitted for NEAMS_Safety
by support＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=NEAMS_Safety

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New LCRC report submitted for UNEDF_Optimization
by support＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=UNEDF_Optimiz…

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New LCRC report submitted for xenon
by support＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=xenon

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New LCRC report submitted for Bubble
by support＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=Bubble

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[LCRC Accounts] Yearly Allocation Request from MCA_ADSS
by accounts＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Yousry Gohar Project Name: MCA_ADSS Division: NE Project title: Monte Carlo Analysis of Accelerator Driven Subcritical Systems Associated funding: National Nuclear Security Administration DOE Other Systems: The clusters of the nuclear engineering division Science: This project models and analyzes the nuclear and the reactor physics of accelerator driven systems using Monte Carlo techniques. Proton, deuteron, or electron beams with target assemblies are used to generate neutron sources for driving subcritical assemblies. Three-dimensional geometrical models hace been developed for the target and the subcritical assemblies for performing the analysis using the MCNP/MCNPX/MCB Monte Carlo computer codes. Static and dynamic analyses will be carried out to characterize the system performance and understand the governing physics. Charged particles, photons, and neutrons will be transported and energy deposition will be calculated. The obtained results will be compared with experimental measurements. Analyses will be performed to develop methodologies to determine the system subcriticality level and to develop system control methods. In addition, Transuric transmutation studies will be carried out utilizing the generated. Project description: The project investigates the physics and the characteristics of three types of accelerator driven systems. The first system uses deuteron beam with deuteron or tritium targets for generating 2.5 or 14 MeV neutrons, respectively, for driving a subcritical assembly. This system will be modeled and characterized using MCNP/MCNPX/MCB Monte Carlo transport computer codes. The intention is to understand the physics of the driven subcritical assembly, the coupling between the deuteron beam and the subcritical assembly, the dynamic behavior of the system. The analytical results will be compared with the experimental measurements for different fuel designs. Different methodologies will be developed and compared to predict the subcriticality level of the system and to control the operation of the subcritical assembly. The second system uses electron beam with high atomic number material (tungsten or uranium) for generating a neutron source for driving a subc ritical assembly. The beam power is about 100 KW and the electron energy is 100 MeV. The system power is about 300 KW. The subcritical assembly has 0.98 Keff. This facility will have a maximum neutron flux of about 4 x 10**13 n/cm**2.s. A facility configuration will be developed and analyzed. It will be investigated for producing medical isotopes, generating cold neutron source, and performing physics experiments. The third system utilizes 1 GeV proton beam with high atomic number materials (lead-bismuth Eutectic or Tungsten) to generate neutron through spallation reaction. The generated neutrons will be used for transuranic transmutation studies. MPI is used for the Monte Carlo analyses with more than 90% efficiency for up to 200 CPUs on Fusion. Six ANL members will utilize the JAZZ resources for this project. In FY12, experimental results will compared with simulation results for different subcritical assembly configurations. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 100000 Q1: 25000 Q2: 25000 Q3: 25000 Q4: 25000 Justification: Thank You, The LCRC Accounts System

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New LCRC report submitted for xenon
by support＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=xenon

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New LCRC report submitted for HSCD
by support＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=HSCD

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[LCRC Accounts] Yearly Allocation Request from EP_SNF_LLFP
by accounts＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Yousry Gohar Project Name: EP_SNF_LLFP Division: NE Project title: Energy Production from Spent Nuclear Fuels and Transmutation of Long-Lived Fission Products Associated funding: Office of Fusion/DOE for the fusion system and LDRD funding for the accelerator system Other Systems: The reserv cluster of the nuclear engineering division Science: The objective is to characterize and to develop this innovative energy system, determine its performance and define the required R-and-D based on the obtained results. System studies, neutronics, thermal hydraulics, and chemical engineering analyses will be performed. Argonne computer clusters and the new energy simulators for nuclear systems design and analyses will be utilized for performing these activities. Detailed analyses will be carried out to determine the performance of different nuclear fuel cycles including three-dimensional Monte Carlo neutronics calculations, transmutation analyses, and material flow streams. Project description: US commercial spent nuclear fuel (SNF) inventories continue to increase (currently at 60,000 MT and growing by some 2,000 MT per year). As SNF contains approximately 1% transuranics, a system based on an accelerator or a fusion driver surround by a subcritical blanket could be utilized to generate energy from the SNF (over 50 GWt of power per year for 30 years from the 600 MT of transuranics of the inventory expected by 2015). Since the proposed fusion burner systems is based on existing, proven technology, it is possible to deploy such systems in the near-term, which would provide source of energy and also help in disposing of SNF. A subcritical liquid blanket based on demonstrated technologies is considered, thus eliminating the need for developing or testing solid fuel forms (rods, pellets, or particles) containing transuranics. Further, such a fission system has economic, safety and operational advantages. Finally, the cost of this system overal l should be relatively low compared to other similar options. The first proposed system uses fusion neutrons (14.1 MeV neutrons from Deuterium-Tritium interactions) or spallation neutrons (1 GeV protons beam interacting with lead-bismuth eutectic) to generate energy from the transuranics and transmute the long-lived fission products. The power of the accelerator and fusion driver are in the range of 10 to 50 MW, which is comparable to fusion devices that have operated around the world, such as TFTR in the US and JET in Europe. In comparison, the International Thermonuclear Experimental Reactor (ITER) is designed for more than 500 MWt. The fusion driver would have a Q less than 1.0 (Q is the ratio of the generated fusion power to the input power utilized for operating the D-T plasma). The input power is very small and it is less than 1.6% of the electrical power generated. The second proposed system uses a 25 MW proton beam with proton interacting with lead-bismuth eutectic for spallation reactions. The generated neutrons drive a subcritical assembly for transmuting the transuranics and generation energy. The subcritical blanket is simultaneously capable of utilizing the transuranic elements for energy production and transmuting the long-lived fission products as it takes advantage of the fast neutron spectrum. Such a spectrum has numerous neutronics advantages relative to a thermal neutron spectrum, including its high fission reaction rate per neutron, efficient neutron multiplication and utilization, good neutron economy in the presence of fission products, and lower probabilities for generating higher actinides. The use of a liquid blanket (molten salts or liquid metals) allows for optimizing the power output from the transuranic elements by allowing the transuranic elements to be continuously mixed and their concentration adjusted during operation. In addition, chemistry control during operation can help increase the neutron utilization. In FY11, an approach was determined based the physics analyses. This approach will examined in details during FY12 and the engineering requirements will be included. Such work will require several iterations between the physics and the engineering analyses. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 100000 Q1: 25000 Q2: 25000 Q3: 25000 Q4: 25000 Justification: Thank You, The LCRC Accounts System

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Re: [allocations-admins] Fwd: [lcrc-support #87491] Change on allocation time requested
by Bair, Raymond A. 20 Sep '11

20 Sep '11

Julius called, and I told him we would make the changes. Ray On 9/19/11 5:51 PM, "John Valdes" <valdes(a)mcs.anl.gov> wrote: > Here are two changes (reductions) in requested allocations, one for a > new project and the other for a renewal. Apparently they didn't want > to be a part of the 1M club (ie, give a presentation, as they said > they are tied up with other work at the moment). > > Any objections to reducing these requests to the amounts given below? > Comp_Nanocatalysis is a renewal which originally asked for 1.2M > Comp_Soft_Catalysts is a new project which originally asked for 1M. > > John > > ----- Forwarded message from "Lopez-Encarnacion, Juan Manuel" > <JMLopez(a)anl.gov> ----- > > Date: Mon, 19 Sep 2011 16:15:41 -0500 > From: "Lopez-Encarnacion, Juan Manuel" <JMLopez(a)anl.gov> > To: support(a)lcrc.anl.gov > Cc: jellinek(a)anl.gov > Subject: [lcrc-support #87491] Change on allocation time requested > Reply-To: support(a)lcrc.anl.gov, > "Lopez-Encarnacion, Juan Manuel" <JMLopez(a)anl.gov> > > Dear Team, > > Please, can you change our allocation time requested to the new numbers > on right in the proposals: > > 1. Comp_Nanocatalysis (PI: Julius Jellinek) - 998,000 > > 2. Comp_Soft_Catalysts (PI: Juan M. Lopez-Encarnacion) - 980,000 > > We understand that with these request not presentation is needed. > Please, send us an E-mail confirming this change. > > Thank you, > > Juan and Julius > > ----- End forwarded message ----- > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lists.lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins ----------------------------------------- Ray Bair Computing, Environment, and Life Sciences Argonne National Laboratory and the University of Chicago TCS Building 240, Room 4126 9700 South Cass Avenue Argonne, IL 60439 email: rbair(at)anl.gov Phone: (630)252-5751

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[LCRC Accounts] Yearly Allocation Request from Chaos
by accounts＠lcrc.anl.gov 20 Sep '11

20 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Mark Paul Project Name: Chaos Division: MCS Project title: Spatiotemporal chaos and turbulence in fluids Associated funding: DOE DE-FG03-98ER14891, DE-FG02-98ER14892, NSF CTS-0604376, NSF CBET-0747727. Other Systems: NERSC, Virginia Tech's System X, ops.phys.oxy.edu (128 node linux cluster at Occidental College) Science: This work is a computational effort to push as deeply as is currently possible toward a quantitative understanding of how complex dynamics (i.e., spatiotemporal chaos and turbulence) arise in spatially-extended nonequilibrium systems that are at the frontiers of numerous science and technological problems. Project description: This is a continuing project and with this year's allocation request is very similar to last year's request. All of our calculations use spectral element methods to explore the spatiotemporal chaos and turbulence of fluid systems. The code nek5000 has previously demonstrated scalability and efficiency for the specific problems that we are interested in. We continue to make significant progress on the numerical simulation of Rayleigh-Benard convection for experimentally realistic conditions. Rayleigh-Benard convection is the buoyancy induced convection that occurs when a fluid layer is heated uniformly from below. We are most interested in cases where the fluid dynamics of the convection layer is chaotic or turbulent. Specifically, the code integrates the three-dimensional time-dependent Boussinesq equations, any associated reaction-diffusion-advection equations for the transport of scalar quantities of interest, and the linearized tangent-space equations for computing Lyapunov diagnostics. The code is geometrically flexible and can handle a number of experimentally appropriate boundary conditions. The Lyapunov diagnostics we can compute include the spectrum of Lyapunov exponents and vectors that can be used to provide fundamental insights into the complex dynamics that include the fractal dimension and the location of fast growing perturbations. In this allocation we propose to continue exploring the following problems. 1) Transport in chaotic flow fields In this project we are interested in exploring the transport enhancement of a scalar species when the underlying fluid dynamics are spatiotemporally chaotic. There are a number of situations in which this is important and we will explore two in particular. First, is the combustion of premixed gases in a chaotic flow field. Second, is the motion of swimming microorganisms in a fluid layer. Both of these situations can be described by an additional reaction-diffusion-advection equation that is solved simultaneously with the Boussinesq equations that describe the fluid motion of Rayleigh-Benard convection. The nek5000 code already has this capability and our proposed work does not involve significant additional code development. Over the past year we have explored a number of validation cases to ensure the accuracy of the code for the parameter space that we are interested in. We have computed the transport of a passive scalar quantity in a large shallow fluid layer that is undergoing spiral defect chaos. This allowed us to connect our work with previous calculations in the literature (Chiam et al, Physical Review E, 036205, 2005). This is also provided a baseline computation of the passive transport of a scalar quantity. This baseline computation allows for an important for comparison with the cases where the scalar quantity is not passive but active which we propose to explore in this allocation. A specific case of interest is the combustion of a scalar quantity in a chaotic flow field. We have begun these calculations and the bulk of this allocation will be to explore the parameter space to quantify the transport of an active scalar. 2) Turbulent thermal convection. We will continue our three-dimensional numerical simulations of fully turbulent Rayleigh-Benard convection cells. We can now simulate for Rayleigh numbers as large as 10E9. Many experiments are currently being performed in this regime, but this system is not well understood theoretically. Thermal plumes are present in turbulent convection as a means of heat transport. However, a large-scale circulation (LSC) has been found, which sweeps the thermal plumes along like leaves in a wind. This LSC also undergoes chaotic, abrupt reversals. Visualizations are extremely difficult in experiments, so numerical simulations are essential for bridging the gap between experiment and theory. Heat transport measurements can also be determined from these simulations and compared to experiments and theoretical predictions. Thin thermal and viscous boundary layers are also present, and we are performing a detailed analysis of these boundary layers, which are key to understanding the nature of turbulence in these cells. Finally Lyapunov exponents can be computed for these systems and a correlation is expected between the time dependence of the LSC and the time dependence of one of the Lyapunov exponents. Turbulent Rayleigh-Benard systems have application to such diverse phenomena as weather forecasting and the reversal of the earth's magnetic field. We have been successful in observing turbulence and the LSC in our simulations of systems with Prandtl numbers of 0.4 and 0.7 and for Rayleigh numbers between 10E6 and 10E9. Successful convergence tests and checks with experiments were performed last year. We are also in the process of analyzing the data. We would like to continue our explorations for even higher Rayleigh number this year, to solidify our conclusions at lower Rayleigh number. URL: More information can be found at the following URL's Janet Scheel http://faculty.oxy.edu/jscheel/research.html Mark Paul http://www.me.vt.edu/mpaul Paul Fischer http://www.mcs.anl.gov/~fischer/ Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 300000 Q1: 75000 Q2: 75000 Q3: 75000 Q4: 75000 Justification: Not required for our request. Thank You, The LCRC Accounts System

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