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Simulating relativistic beam and plasma systems using an optimal boosted frame

Description: It was shown recently that it may be computationally advantageous to perform computer simulations in a Lorentz boosted frame for a certain class of systems. However, even if the computer model relies on a covariant set of equations, it was pointed out that algorithmic difficulties related to discretization errors may have to be overcome in order to take full advantage of the potential speedup. In this paper, we summarize the findings, the difficulties and their solutions, and review the applications of the technique that have been performed to date.
Date: May 1, 2009
Creator: Vay, J.-L.; Bruhwiler, D. L.; Geddes, C. G. R.; Fawley, W. M.; Martins, S. F.; Cary, J. R. et al.
Partner: UNT Libraries Government Documents Department

Manifold methods for methane combustion

Description: Objective is to develop a new method for studying realistic chemistry in turbulent methane combustion with NO{sub x} mechanism. The realistic chemistry is a simplification to a more detailed chemistry based on the manifold method; accuracy is determined by interaction between the transport process and the chemical reaction. In this new (tree) method, probability density function or partially stirred reactor calculations are performed. Compared with the reduced mechanism, manifold, and tabulation methods, the new method overcomes drawbacks of the reduced mechanism method and preserves the advantages of the manifold method. Accuracy is achieved by specifying the size of the cell.
Date: December 31, 1995
Creator: Yang, B. & Pope, S.B.
Partner: UNT Libraries Government Documents Department

Development of an advanced system identification technique for comparing ADAMS analytical results with modal test data for a MICON 65/13 wind turbine

Description: This work uses the theory developed in NREL/TP--442-7110 to analyze simulated data from an ADAMS (Automated Dynamic Analysis of Mechanical Systems) model of the MICON 65/13 wind turbine. The Observer/Kalman Filter identification approach is expanded to use input-output time histories from ADAMS simulations or structural test data. A step by step outline is offered on how the tools developed in this research, can be used for validation of the ADAMS model.
Date: July 1, 1995
Creator: Bialasiewicz, J.T.
Partner: UNT Libraries Government Documents Department

Computer-Assisted Discovery and Proof

Description: With the advent of powerful, widely-available mathematical software, combined with ever-faster computer hardware, we are approaching a day when both the discovery and proof of mathematical facts can be done in a computer-assisted manner. his article presents several specific examples of this new paradigm in action.
Date: December 10, 2007
Creator: Bailey, David H. & Borwein, Jonathan M.
Partner: UNT Libraries Government Documents Department

Using EnergyPlus for California Title-24 compliancecalculations

Description: For the past decade, the non-residential portion of California's Title-24 building energy standard has relied on DOE-2.1E as the reference computer simulation program for development as well as compliance. However, starting in 2004, the California Energy Commission has been evaluating the possible use of Energy Plus as the reference program in future revisions of Title-24. As part of this evaluation, the authors converted the Alternate Compliance Method (ACM) certification test suite of 150 DOE-2 files to Energy Plus, and made parallel DOE-2 and Energy Plus runs for this extensive set of test cases. A customized version of DOE-2.1E named doe2ep was developed to automate the conversion process. This paper describes this conversion process, including the difficulties in establishing an apples-to-apples comparison between the two programs, and summarizes how the DOE-2 and Energy Plus results compare for the ACM test cases.
Date: August 26, 2006
Creator: Huang, Joe; Bourassa, Norman; Buhl, Fred; Erdem, Ender & Hitchcock, Rob
Partner: UNT Libraries Government Documents Department


Description: The Bak-Tang-Wiesenfeld sandpile model provides a simple and elegant system with which to demonstrate self-organized criticality. This model has rather remarkable mathematical properties first elucidated by Dhar. I demonstrate some of these properties graphically with a simple computer simulation.
Date: January 21, 2003
Creator: CREUTZ,M.
Partner: UNT Libraries Government Documents Department

Optimal dynamic performance for high-precision actuators/stages.

Description: System dynamic performance of actuator/stage groups, such as those found in optical instrument positioning systems and other high-precision applications, is dependent upon both individual component behavior and the system configuration. Experimental modal analysis techniques were implemented to determine the six degree of freedom stiffnesses and damping for individual actuator components. These experimental data were then used in a multibody dynamic computer model to investigate the effect of stage group configuration. Running the computer model through the possible stage configurations and observing the predicted vibratory response determined the optimal stage group configuration. Configuration optimization can be performed for any group of stages, provided there is stiffness and damping data available for the constituent pieces.
Date: July 3, 2002
Creator: Preissner, C.; Lee, S.-H.; Royston, T. J. & Shu, D.
Partner: UNT Libraries Government Documents Department

ALE advantage in hypervelocity impact calculations

Description: The ALE3D code is used to model experiments relevant to hypervelocity impact lethality, carried out in the 4-5 km/s velocity range. The code is run in the Eulerian and ALE modes. Zoning in the calculations is refined beyond the level found in most lethality calculations, but still short of convergence. The level of zoning refinement that produces equivalent results in uniformly zoned Eulerian calculations and ALE ones utilizing specialized zoning, weighting and relaxation techniques is established. It takes 11 times fewer zones and about 60% as many cycles when ALE capabilities are used. Calculations are compared to experimental results.
Date: October 1, 1998
Creator: Gerassimenko, M. & Rathkopf, J.
Partner: UNT Libraries Government Documents Department

Process Simulation as Applied to Transuranic Waste Management

Description: The National Transuranic Waste System Model (the Model) is a computer simulation designed to evaluate the preparation and flow of TRU waste from generator sites throughout the Department of Energy (the Department) complex to the Waste Isolation Pilot Plant (WIPP) facility for disposal. The Model uses process simulation software to predict waste outputs of waste management operations as a function of time over the life of the WIPP. Process simulation modeling is a tool used by many industries, both private and public, to evaluate complex systems. For example a manufacturing plant might use process simulation to determine the possible effects of increasing the rate of production: will there be adequate resources (labor pool, raw goods, transportation capability); can the new production rate be sustained for an indefinite period of time without adding additional infrastructure. Process simulation modeling is also used by various military branches to ensure adequate supplies are delivered in a timely manner. The Department currently uses this technique as the basis for its National TRU Waste Management Plan Rev. 1 (DOE, 1997).
Date: January 1, 1999
Creator: Brown, M.; Downes, S. & Trone, J.
Partner: UNT Libraries Government Documents Department

Simulations of implosions with a 3D, parallel, unstructured-grid, radiation-hydrodynamics code

Description: An unstructured-grid, radiation-hydrodynamics code is used to simulate implosions. Although most of the problems are spherically symmetric, they are run on 3D, unstructured grids in order to test the code�s ability to maintain spherical symmetry of the converging waves. Three problems, of increasing complexity, are presented. In the first, a cold, spherical, ideal gas bubble is imploded by an enclosing high pressure source. For the second, we add non-linear heat conduction and drive the implosion with twelve laser beams centered on the vertices of an icosahedron. In the third problem, a NIF capsule is driven with a Planckian radiation source.
Date: December 28, 1998
Creator: Kaiser, T. B.; Milovich, J. L.; Prasad, M. K.; Rathkopf, J. & Shestakov, A. I.
Partner: UNT Libraries Government Documents Department

New computational method for non-LTE, the linear response matrix

Description: We investigate non-local thermodynamic equilibrium atomic kinetics using nonequilibrium thermodynamics and linear response theory. This approach gives a rigorous general framework for exploiting results from non-LTE kinetic calculations and offers a practical data-tabulation scheme suitable for use in plasma simulation codes. We describe how this method has been implemented to supply a fast and accurate non-LTE option in Lasnex.
Date: October 1, 1998
Creator: Fournier, K. B.; Graziani, F. R.; Harte, J. A.; Libby, S. B.; More, R. M.; Rathkopf, J. et al.
Partner: UNT Libraries Government Documents Department

Dynamic simulation of the Hanford tank waste remediation system

Description: Cleaning up and disposing of approximately 50 years of nuclear waste is the main mission at the U.S. Department of Energy`s Hanford Nuclear Reservation, located in the southeastern part of the state of Washington. A major element of the total cleanup effort involves retrieving, processing, and disposing of radioactive and hazardous waste stored in 177 underground storage tanks. This effort, referred to as the Tank Waste Remediation System (TWRS), is expected to cost billions of dollars and take approximately 25 years to complete. Several computer simulations of this project are being created, focusing on both programmatic and detailed engineering issues. This paper describes one such simulation activity, using the ithink(TM)computer simulation software. The ithink(TM) simulation includes a representation of the complete TWRS cleanup system, from retrieval of waste through intermediate processing and final vitrification of waste for disposal. Major issues addressed to date by the simulation effort include the need for new underground storage tanks to support TWRS activities, and the estimated design capacities for various processing facilities that are required to support legally mandated program commitment dates. This paper discusses how the simulation was used to investigate these questions.
Date: May 3, 1996
Creator: Harmsen, R. W.
Partner: UNT Libraries Government Documents Department

Bundle Binding in Polyelectrolyte Solutions

Description: Stiff polyelectrolytes are found to spontaneously form oriented bundles. Conditions under which bundling occurs are found. Molecular dynamics simulations show that divalent counterions are necessary, and the chains must be sufficiently long and stiff. No aggregation occurs for monovalent counterions. For flexible or short chains aggregation occurs, but bundle formation does not. Due to dynamical constraints the systems tend to order into a network of connected bundles, not a single bundle.
Date: January 21, 1999
Creator: Stevens, M.J.
Partner: UNT Libraries Government Documents Department


Description: We present results obtained with the Odyssey simulation code. Odyssey is a 1, 2, and 3 dimensional AMR code using cartesian, cylindrical, and spherical coordinates. The results provide an interesting snapshot of Odyssey at this point in its development. Results include parallel performance and scaling, Eulerian hydrodynamics algorithm comparisons, ADI based diffusion solvers on hierarchical meshes, ECB treatment of material interfaces in diffusion solves.
Date: October 1, 1998
Creator: Braddy, D.; Brown, S.; Cook, G.; Kueny, C.; Lambert, M.; Peters, D. et al.
Partner: UNT Libraries Government Documents Department

Multi-Domain Surety Modeling and Analysis for High Assurance Systems

Description: Engineering systems are becoming increasingly complex as state of the art technologies am incorporated into designs. Surety modeling and analysis is an emerging science that permits an engineer to qualitatively and quantitatively predict and assess the completeness and predictability of a design. Surety is a term often used in the Department of Defense (DoD) and Department of Energy (DOE) communities, which refers to the integration of safety, security, reliability and performance aspects of design. Current risk assessment technologies for analyzing complex systems fail to adequately describe the problem, thus making assessment fragmented and non-integrated. To address this problem, we have developed a methodology and extensible software tool set to address model integration and complexity for high consequence systems. The MultiGraph Architecture (MGA) facilitates multi-domain, model-integrated modeling and analyses of complex, high-assurance systems. The MGA modeling environment allows the engineer to customize the modeling environment to match a design paradigm representative of the actual design. Previous modeling tools have a point-defined model space that forms the modeler to work in less than optimal environments. Current approaches for the problem to be bounded and constrained by requirements of the modeling tool and not the actual design problem. In some small cases, this is only maximally adequate MM facilitates the implementation of a surety methodology, which is used to represent high assurance systems with respect to safety and reliability. Formal mathematical models am used to correctly describe design safety and reliability functionality and behavioral fictional and behavioral representations of the design w then analyzed using commercial-off-the-shelf tools.
Date: January 27, 1999
Creator: Davis, J.; Martinez, M.; Scott, J. & Sztipanovits, J.
Partner: UNT Libraries Government Documents Department

Radiation MHD modeling of a proposed dynamic hohlraum

Description: In this paper we report 2D radiation magnetohydrodynamic simulations of a dynamic hohlraum target designed to be driven by the Z accelerator at Sandia National Laboratory, Albuquerque New Mexico. Z generates currents up 20 MA with a rise time of 100 ns and peak electrical power of 40 TW. In this design we attempt to reduce the effects of magneto-Rayleigh Taylor (RT) modes by using a distributed initial density profile. Earlier work showed that ``tailoring`` the initial density profile could reduce the sheath acceleration and the number of e-foldings that the RT instability grows during the implosion . As the sheath moves in radially, fresh material is swept up or ``snow plowed``, providing a back pressure that counters the J x B force. A special profile can be found in which the unstable outer surface of the sheath implodes at constant velocity, reducing the classical growth rate to zero, although residual Richtmeyer-Meshkov type instability (instability of the snow-plow shock front) may be present. In practice, it is hard to create tailored initial density profiles due to the difficulty of machining and otherwise manipulating very low density materials. It becomes easier to manufacture these complex targets as the current, energy and load mass increase with large drivers. Z is the first fast pulse power device with enough energy to consider loads of this type.
Date: July 1, 1997
Creator: Hammer, J.H.; De Groot, J.S.; Tabak, M.; Toor, A. & Zimmerman, G.B.
Partner: UNT Libraries Government Documents Department

Axions from string decay

Description: We have studied numerically the evolution and decay of axion strings. These global defects decay mainly by axion emission and thus contribute to the cosmological axion energy density. The relative importance of this source relative to misalignment production of axions depends on the spectrum. Radiation spectra for various string loop configurations are presented. They support the contention that the string decay contribution is of the same order of magnitude as the contribution from misalignment.
Date: July 9, 1998
Creator: Hagmann, C., LLNL
Partner: UNT Libraries Government Documents Department

New Development in WARP: Progress Toward End-to-End Simulation

Description: The development of a high current, heavy-ion beam driver for inertial confinement fusion requires a detailed understanding of the behavior of the beam, including effects of the strong self-fields. The necessity of including the self-fields of the beam makes particle-in-cell (PIC) simulation techniques ideal, and for this reason, the multi-dimensional PIC/accelerator code WARP has been developed. WARP has been used extensively to study the creation and propagation of ion beams both in experiments and for the understanding of basic beam physics. An overview of the structure of the code will be presented along with a discussion of features that make the code an effective tool in the understanding of space-charge dominated beam behavior. Much development has been done on WARP increasing its flexibility and generality. Major additions include a generalized field description, an efficient steady-state modelling technique, a transverse slice model with a bending algorithm, further improvement of the parallel processing version, and capabilities for linking to chamber transport codes. With these additions, the capability of modeling a large scale accelerator from end-to-end comes closer to reality.
Date: November 7, 1997
Creator: Grote, D.P.; Friedman, A.; Haber, I.; Fawley, W. & Luc Vay, J.
Partner: UNT Libraries Government Documents Department

Mixing of Isotactic and Syndiotactic Polypropylenes in the Melt

Description: The miscibility of polypropylene (PP) melts in which the chains differ only in stereochemical composition has been investigated by two different procedures. One approach used detailed local information from a Monte Carlo simulation of a single chain, and the other approach takes this information from a rotational isomeric state model devised decades ago, for another purpose. The first approach uses PRISM theory to deduce the intermolecular packing in the polymer blend, while the second approach uses a Monte Carlo simulation of a coarse-grained representation of independent chains, expressed on a high-coordination lattice. Both approaches find a positive energy change upon mixing isotactic PP (iPP) and syndiotactic polypropylene (sPP) chains in the melt. This conclusion is qualitatively consistent with observations published recently by Muelhaupt and coworkers. The size of the energy chain on mixing is smaller in the MC/PRISM approach than in the RIS/MC simulation, with the smaller energy change being in better agreement with the experiment. The RIS/MC simulation finds no demixing for iPP and atactic polypropylene (aPP) in the melt, consistent with several experimental observations in the literature. The demixing of the iPP/sPP blend may arise from attractive interactions in the sPP melt that are disrupted when the sPP chains are diluted with aPP or iPP chains.
Date: July 14, 2000
Partner: UNT Libraries Government Documents Department


Description: Significant progress continued to be made during the past reporting quarter on both major technical tasks. During the reporting period at OSU, computational investigations were conducted of addition vs. abstraction reactions of H, O(3 P), and OH with monocyclic aromatic hydrocarbons. The potential energy surface for more than 80 unique reactions of H, O ( 3 P), and OH with aromatic hydrocarbons were determined at the B3LYP/6-31G(d) level of theory. The calculated transition state barriers and reaction free energies indicate that the addition channel is preferred at 298K, but that the abstraction channel becomes dominant at high temperatures. The thermodynamic preference for reactivity with aromatic hydrocarbons increases in the order O(3 P) < H < OH. Abstraction from six-membered aromatic rings is more facile than abstraction from five-membered aromatic rings. However, addition to five-membered rings is thermodynamically more favorable than addition to six-membered rings. The free energies for the abstraction and addition reactions of H, O, and OH with aromatic hydrocarbons and the characteristics of the respective transition states can be used to calculate the reaction rate constants for these important combustion reactions. Experimental work at Brown University on the effect of reaction on the structural evolution of different chars (i.e., phenolic resin char and chars produced from three different coals) have been investigated in a TGA/TPD-MS system. It has been found that samples of different age of these chars appeared to lose their "memory" concerning their initial structures at high burn-offs. During the reporting period, thermal desorption experiments of selected samples were conducted. These spectra show that the population of low temperature oxygen surface complexes, which are primarily responsible for reactivity, are more similar for the high burn-off than for the low burn-off samples of different ages; i.e., the population of active sites are more similar for the �younger� ...
Date: January 13, 1999
Partner: UNT Libraries Government Documents Department

Numerical simulations of magnetic reversal in layered spring magnets.

Description: This report summarizes the results of numerical investigations of magnetic reversal in layered spring magnets. A one-dimensional model is used of a film consisting of several atomic layers of soft material on top of several atomic layers of hard material. Each atomic layer is taken to be uniformly magnetized, and spatial inhomogeneities within an atomic layer are neglected. The state of such a system is described by a chain of magnetic spin vectors. Each spin vector behaves like a spinning top driven locally by the effective magnetic field and subject to damping (Landau-Lifshitz-Gilbert equation). A numerical integration scheme for the LLG equation is presented that is unconditionally stable and preserves the magnitude of the magnetization vector at all times. The results of numerical investigations for a bilayer in a rotating in-plane magnetic field show hysteresis with a basic period of 2{pi} at moderate fields and hysteresis with a basic period of {pi} (or any multiple thereof) at strong fields.
Date: January 24, 2001
Creator: Jiang, J.S.; Kaper, H.G. & Leaf, G.K.
Partner: UNT Libraries Government Documents Department