C-SAFE Related Publications and Presentations



Overview Publications:



The following publications provide a good starting place for learning about C-SAFE work and the Uintah simulation infrastructure:
  • Heat Transfer to Objects in Pool Fires, J.P. Spinti, J.N. Thornock, E.G. Eddings, P.J. Smith and A.F. Sarofim. Transport Phenomena in Fires, ed. by M. Faghri and B. Senden, Series: Developments in Heat Transfer, Vol 20, WIT Press, Southampton, U.K., 2008. Book Chapter, published, 2008.
  • An Eulerian-Lagrangian Approach for Simulating Explosions of Energetic Devices, Guilkey, J.E.; Harman, T.B.; Banerjee, B. Computers and Structures, 85, 660-674, 2007.
  • Scalable Parallel AMR for the Uintah Multiphysics Code, Luitjens, J.; Worthen, B.; Berzins, M.; Henderson, T. Petascale Computing Algorithms and Applications, Chapman and Hall, 2008.
Go here for a list of ancillary publications.

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2013



Berzins, M.; Schmidt, J.; Meng, Q.; Humphrey, A. "Past, Present, and Future Scalability of the Uintah Software", Proceedings of the Blue Waters Workshop 2012, 2013. [
PDF]

Biglari, A.; Saad, T.; Sutherland, J. "A Time-Accurate Pressure Projection Method for Reacting Flows", Society for Industrial and Applied Mathematics (SIAM), 14th International Conference on Numerical Combustion (NC13) (San Antonio), 2013.

de Oliveira, D.C.; Rakamaric, Z.; Gopalakrishnan, G.; Humphrey, A.; Meng, Q.; Berzins, M. "Crash Early, Crash Often, Explain Well", International Conference on Software Engineering (ICSE), 2013. [PDF]

Meng, Q.; Humphrey, A.; Schmidt, J.; Berzins, M. "Preliminary Experiences with the Uintah Framework on Intel Xeon Phi and Stampede", Proceedings of the Conference of the Extreme Science and Engineering Discovery Environment (XSEDE), 2013. [PDF]

Peterson, J.; Wight, C.; Berzins, M. "Applying High-Performance Computing to Petascale Explosive Simulations", International Conference on Computational Science (ICCS), 2013. [PDF]

Schmidt, J.; Berzins, M.; Thornock, J.; Saad, T.; Sutherland, J. "Large Scale Parallel Solution of Incompressible Flow Problems using Uintah and hypre", Cluster, Cloud and Grid Computing (CCGrid) - IEEE/ACM International Symposium, 2013. [PDF]


2012



Abboud, A.W.; Smith, S.T.; Saad, T.; Thornock, J. "A Study of Population Balance Modeling in a Large-Eddy Simulation with Carbonate Precipitation", AIChE Annual Meeting (Pittsburgh), 2012.

Berzins, M. "Status of Release of the Uintah Computational Framework", Technical Report, No. UUSCI-2012-001, SCI Institute, University of Utah, 2012. [
PDF]

Berzins, M.; Meng, Q.; Schmidt, J.; Sutherland, J. "DAG-Based Software Frameworks for PDEs", Proceedings of Euro-Par HPSS (Bordeaux), August 2012. [PDF]

Burghardt, J.A.; Brannon, R.M. "A Nonlocal Plasticity Formulation for the Material Point Method", International Journal for Computational Methods in Engineering Science and Mechanics (CMES), 2012.

Humphrey, A.; Meng, Q.; Berzins, M.; Harman, T. "Radiation Modeling Using the Uintah Heterogeneous CPU/GPU Runtime System" (Submitted) XSEDE Conference, 2012. [PDF]

Leavy, B.; Clayton, J.; Strack, O.E.; Brannon, R.M.; Strassburger, E. "Edge on Impact Simulations and Experiments", 12th Hypervelocity Impact Symposium, 2012.

Meng, Q.; Berzins, M. "Scalable Large-scale Fluid-structure Interaction Solvers in the Uintah Framework via Hybrid Task-based Parallelism Algorithms", SCI Technical Report No. UUSCI-2012-004 (SCI Institute, University of Utah) / Concurrency and Computation (Submitted), 2012.

Meng, Q.; Humphrey, A.; Berzins, M. "The Uintah Framework: A Unified Heterogeneous Task Scheduling and Runtime System", Digital Proceedings of The International Conference for High Performance Computing, Networking, Storage and Analysis (SC12 - 2nd International Workshop on Domain-Specific Languages and High-Level Frameworks for High Performance Computing, WOLFHPC), 2012. [PDF]

Notz, P.K.; Pawlowski, R.; Sutherland, J. "Graph-Based Software Design for Managing Complexity and Enabling Concurrency in Multiphysics PDE Software", ACM Transactions on Mathematical Software, 2012.

Peterson, J.; Beckvermit, J.; Harman, T.; Berzins, M.; Wight, C. "Multiscale Modeling of High Explosives for Transportation Accidents", Proceedings of the 1st Conference of the Extreme Science and Engineering Discovery Environment: Briding from the eXtreme to the campus and beyond, 2012.

Peterson, J.; Wight, C. "An Eulerian-Lagrangian Computational Model for Deagration and Detonation of High Explosives", Combustion and Flame, Feb. 2012. [PDF]

Sutherland, J. "Graph-Based Parallel Task Scheduling and Algorithm Generation for Multiphysics PDE Software", SIAM Parallel Processing Conference (Savannah, GA), 2012. [PDF]


2011



Abboud, A.W.; Smith, S.T.; Saad, T.; Ring, T. "A Study of Population Balance Modeling in a Large-Eddy Simulation with Carbonate Precipitation", AIChE Annual Meeting (Minneapolis), 2011.

Hunsaker, I.; Harman, T.; Thornock, J.; Smith, P.J. "Efficient Parallelization of RMCRT for Large Scale LES Combustion Simulations", AIAA 20th Computational Fluids Dynamics Conference, 2011. [
PDF]

Kamojjala, K., Brannon, R.M. "Verification Of Frame Indifference For Complicated Numerical Constitutive Models", ASME, 2011.

Luitjens, J.; Berzins, M. "Scalable parallel regridding algorithms for block-structured adaptive mesh renement", Concurrency And Computation: Practice And Experience, 2011. [PDF]

Meng, Q.; Berzins, M.; Schmidt, J. "Using Hybrid Parallelism to Improve Memory Use in the Uintah Framework", Proceedings of TeraGrid Conference, July 2011. [PDF]

Robison, D.; Punati, N.; Saad, T.; Sutherland, J. "A Novel Computational Framework for Multiphysics and Reactive Flow Simulations", 7th Combustion Institute US National Combustion Meeting (Atlanta, Georgia), 2011.

Sadeghirad, A., Brannon, R.M., Burghardt, J. "A Convected Particle Domain Interpolation Technique To Extend Applicability of the Material Point Method for Problems Involving Massive Deformations", International Journal for Numerical Methods in Engineering, vol. 86, iss. 12, pp. 1435-1456, 2011. [PDF]

Sadeghirad, A., Brannon, R.M., Guilkey, J. "Enriched Convected Particle Domain Interpolation (CPDI) Method for Analyzing Weak Discontinuities", Particles (Book), 2011.

Smith, P.J.; Hradisky, M.; Thornock, J.; Spinti, J; Nguyen, D. "Large Eddy Simulation of a Turbulent Buoyant Helium Plume", Supercomputing Conference, 2011. [PDF]

Smith, P.J.; Thornock, J.; Hinckley, D.; Hradisky, M. "Large Eddy Simulation Of Industrial Flares", Supercomputing Conference, 2011. [PDF]

Sutherland, J.; Saad, T. "A Novel Computational Framework for Reactive Flow and Multiphysics Simulations", AIChE Annual Meeting (Minneapolis, MN), 2011. [PDF]

Sutherland, J; Saad, T. "The Discrete Operator Approach to the Numerical Solution of Partial Differential Equations", 20th AIAA Computational Fluid Dynamics Conference (pp. AIAA-2011-3377), Honolulu, Hawaii, 2011.

Tran, L.; Berzins, M. "IMPICE Method for Compressible Flow Problems in Uintah", International Journal for Numerical Methods in Fluids, 2011. [PDF]

Van Rij, J.; Harman, T.; Ameel, T. "Slip Flow Fluid-Structure-Interaction", International Journal of Thermal Sciences, 2011. [PDF]

2010



Berzins, M.; Luitjens, J.; Meng, Q.; Harman, T.; Wight, C.; Peterson, J. "Uintah - a scalable framework for hazard analysis", Proceedings of the Teragrid 2010 Conference, No 3., Note: Awarded Best Paper in the Science Track!, pp. (published online). 2010 [
PDF]

Brannon, R.M., Leelavanichkul, S. "A Multi-Stage Return Algorithm for Solving the Classical Damage Component of Constitutive Models for Rocks, Ceramics, and Other Rock-Like Media", International Journal of Fracture, vol. 163, pp. 133-149, 2010.

Burghardt, J.A., Leavy, B., Guilkey, J., Xue, Z., Brannon, R.M. "Application of Uintah-MPM to Shaped Charge Jet Penetration of Aluminum", IOP Conference Series: Materials Science and Engineering, vol. 10, iss. 1, pp. 12223, 2010

Leavy, B., Brannon, R.M., O.E. Strack. "The Use of Sphere Indentation Experiments to Characterize Ceramic Damage Models", International Journal of Applied Ceramic Technology, vol. 7, iss. 5, pp. 606-615, 2010.

Luitjens, J. "The Scalability of Parallel Adaptive Mesh Refinement Within Uintah", University of Utah Doctoral Thesis, 2010. [PDF]

Luitjens J.; Berzins, M. "Improving the performance of Uintah: A large-scale adaptive meshing computational framework.", Proceedings of the 24th IEEE International Parallel and Distributed Processing Symposium (IPDPS10), 2010. [PDF]

Meng, Q.; Luitjens, J.; Berzins, M. "Dynamic Task Scheduling for the Uintah Framework", In Proceedings of the 3rd IEEE Workshop on Many-Task Computing on Grids and Supercomputers (MTAGS10), pp. (in press). 2010. [PDF]

Meng, Q.; Luitjens, J.; Berzins, M. "Dynamic Task Scheduling for Scalable Parallel AMR in the Uintah Framework", SCI Technical Report, No. UUSCI-2010-001, SCI Institute, University of Utah, 2010. [PDF]

Schmidt, J.; Berzins, M. "Development of the Uintah Gateway for Fluid-Structure-Interaction Problems", Proceedings of the Teragrid' 10 Conference (accepted for publication). [PDF]

2009



Henriksen, T.L.; Nathan, G.J.; Alwahabi, Z.T.; Qamar, N.; Ring, T.A.; Eddings, E.G. "Planar Measurements of Soot Volume Fraction and OH in a JP-8 Pool Fire," Combustion and Flame, 156, 1480-1492, 2009. [
PDF]

Hooper, J.B.; Bedrov, D.; Smith, G.D.; Hanson, B.; Borodin, O.; Dattelbaum, D.M.; Kober, E.M. "A Molecular Dynamics Simulation Study of the Pressure-Volume-Temperature Behavior of Polymers Under High Pressure," Journal of Chemical Physics, 2009. [PDF]

Huynh, L.K.; Zhang, H.R.; Zhang, S.; Eddings, E.G.; Sarofim, A.F.; Law, M.E.; Westmoreland, P.R.; Truong, T.N. "Kinetics of Enol Formation from Reaction of OH with Propene," Journal of Physical Chemistry, A, 113, 3177-3185, 2009. [PDF]

Steffen, M. "Analysis-Guided Improvements of the Material Point Method", University of Utah Doctoral Thesis, 2009. [PDF]

Swan, S.M.; Brannon, R.M. "Statistical Perturbation of Material Properties in Uintah", 2009.

Tran, L.; Kim, J.; Berzins, M. "Solving Time-Dependent PDEs using the Material Point Method, A Case Study from Gas Dynamics", International Journal for Numerical Methods in Fluids, Vol. 62, No. 7, pp. 709--732. 2009. [PDF]

Van Rij, J.; Ameel, T.; Harman, T. "An Evaluation of Secondary Effects on Microchannel Frictional and Convective Heat Transfer Characteristics," International Journal of Heat and Mass Transfer, 52, 2792-2801, 2009. [PDF]

Van Rij, J.; Ameel, T.; Harman, T. "The Effect of Viscous Dissipation and Rarefaction on Rectangular Microchannel Convective Heat Transfer," International Journal of Thermal Sciences, 48, 271-281, 2009. [PDF]

Wallstedt, P.C.; Guilkey, J.E. "A Weighted Least Squares Particle-In-Cell Method for Solid Mechanics," International Journal for Numerical Methods in Engineering, 2009. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F.; Westbrook, C.K. "Fuel Dependence of Benzene Pathways," Combustion Institute, 2009. [PDF]

2008



Tran, L.T.; Kim, J.; Berzins, M. "An Introduction to the Material Point Method using a Case Study from Gas Dynamics", International Conference on Numerical Analysis and Applied Mathematics. AIP Conference Proceedings, Vol. 1048, Edited by T.E. Simos, G. Psihoyios and Ch. Tsitouras, pp. 26--29. 2008. [
PDF]

Borodin, O.; Smith, G.D.; Sewell, T.D.; Bedrov, D. "Polarizable and Nonpolarizable Force Fields for Alkyl Nitrates," Journal of Physical Chemistry, B, 112, 734-742, 2008. [PDF]

Davande, H.; Bedrov, D.; Smith, G.D. "Thermodynamic, Transport and Viscoelastic Properties of PBX-9501 Binder: A Molecular Dynamics Simulation Study," Journal of Energetic Materials, 26 (2), 115-138, 2008. [PDF]

Gribble, C.; Brownlee, C.; Parker, S.G. "Practical Global Illumination for Interactive Particle Visualization," Computers and Graphics, 32 (1), 14-24, 2008. [PDF]

Henriksen, T.L.; Ring, T.A.; Eddings, E.G.; Nathan, G.J. "Puffing Frequency and Soot Extinction Correlation in JP-8 and Heptane Pool Fires," Combustion Science and Technology, 180 (4), 699-712, 2008. [PDF]

J. Luitjens, Q. Meng, M. Berzins, T. Henderson. "Improving the Load Balance of Parallel Adaptive Mesh Refined Simulations," SCI Technical Report, No. UUSCI-2008-007, University of Utah School of Computing, 2008. [PDF]

Luitjens, J.; Worthen, B.; Berzins, M.; Henderson, T. "Scalable Parallel AMR for the Uintah Multiphysics Code," Petascale Computing Algorithms and Applications, Chapman and Hall, 2008. [PDF]

Pawlowski, R.P.; Simonis, J.P.; Walker, H.F.; Shadid, J.N. "Inexact Newton Dogleg Methods," SIAM, Journal on Numerical Analysis, 46 (4), 2112-2132, 2008. [PDF]

Q. Meng, J. Luitjens, M. Berzins. "A Comparison of Load Balancing Algorithms for AMR in Uintah," SCI Technical Report, No. UUSCI-2008-006, University of Utah, 2008. [PDF]

Steffen, M.; Curtis, S.; Kirby, R.M.; Ryan, J.K. "Investigation of Smoothness-Increasing Accuracy Conserving Filters for Improving Streamline Integration through Discontinuous Fields," IEEE, Transactions on Visualizations and Computer Graphics, 14 (3), 680-692, 2008. [PDF]

Steffen, M.; Kirby, R.M.; Berzins, M. "Analysis and Reduction of Quadrature Errors in the Material Point Method," International Journal for Numerical Methods in Engineering, 76 (6), 922-948, 2008. [PDF]

Steffen, M.; Wallstedt, P.C.; Guilkey, J.E.; Kirby, R.M.; Berzins, M. "Examination and Analysis of Implementation Choices within the Material Point Method," Computer Modeling in Engineering and Sciences, 31 (2), 107-128, 2008. [PDF]

Wallstedt, P.C.; Guilkey, J.E. "An Evaluation of Explicit Time Integration Schemes for use with the Generalized Interpolation Material Point Method," Journal of Computational Physics, 227, 9628-9642, 2008. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F. "A Journey From n-Heptane to Liquid Transportation Fuels. 1. The Role of the Allylic Radicals and Its Related Species in Aromatic Precursor Chemistry," Energy and Fuels, 22, 945-953, 2008. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F. "Pollutant Emissions from Gasoline Combustion: 1. Dependence on Fuel Structural Functionalities," Environmental Science and Technology, 42 (15), 5615-5621, 2008. [PDF]

2007



Duncan, C.; Scherer, R.; Guilkey, J.; Harman, T. "Simulations of Vocal Fold Movement and Aerodynamics Using the Uintah Computational Framework", Journal of the Acoustical Society of America, Volume 121, Issue 5, pp. 3201-3202, 2007.

Guilkey, J.E.; Harman, T.B.; Banerjee, B. "An Eulerian-Lagrangian Approach for Simulating Explosions of Energetic Devices," Computers and Structures, 85, 660-674, 2007. [
PDF]

Van Rij, J.; Harman, T.; Ameel, T. "The Effect of Creep Flow on Two-Dimensional Isoflux Microchannels," International Journal of Thermal Sciences, 46, 1095-1103, 2007. [PDF]

Santamaria, A.; Eddings, E.G.; Mondragon, F. "Effect of Ethanol on the Chemical Structure of the Soot Extractable Material of an Ethylene Inverse Diffusion Flame," Combustion and Flame, 151, 235-244, 2007. [PDF]

Santamaria, A.; Mondragon, F.; Quinones, W.; Eddings, E.G.; Sarofim, A.F. "Average Structural Analysis of the Extractable Material of Young Soot Gathered in an Ethylene Inverse Diffusion Flame," FUEL, 86, 1908-1917, 2007. [PDF]

Wallstedt, P.C.; Guilkey, J.E. "Improved Velocity Projection for the Material Point Method," Computer Modeling in Engineering and Sciences, 19, 223-232, 2007. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F. "Combustion Reactions of Paraffin Components in Liquid Transportation Fuels Using Generic Rates," Combustion Science and Technology, 179 (1-2), 61-89, 2007. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F. "Olefin Chemistry in a Premixed N-Heptane Flame," Energy and Fuels, 21, 677-685, 2007. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F.; Westbrook, C.K. "An Evaluation of the Fuel Consumption Pathways for Normal Heptane in Premixed and Opposed Diffusion Flames," Energy and Fuels, 21, 1967-1976, 2007. [PDF]

Zhang, H.R.; Huynh, L.K.; Kungwan, N.; Yang, Z.; Zhang, S. "Combustion Modeling and Kinetic Rate Calculations for a Stoichiometric Cyclohexane Flame. 1. Major Reaction Pathways," Journal of Physical Chemistry, A, 111, 4102-4115, 2007. [PDF]

Zhang, H.R.; Yang, Z.; Eddings, E.G.; Sarofim, A.F. "Pollutant Formation in Premixed and Diffusion Flames of Paraffinic Fuels Using the Reduced Utah Surrogate Mechanisms," American Chemical Society, Division of Fuel Chemistry, 52 (1), 144-147, 2007. [PDF]

2006



Bigler, J.; Guilkey, J.; Gribble, C.; Hansen, C.; Parker, S. "A Case Study: Visualizing Material Point Method Data," IEEE, 209-376, 377, 2006. [
PDF]

Ciro, W.; Eddings, E.G.; Sarofim, A.F. "Experimental and Numerical Investigation of Transient Soot Buildup on a Cylindrical Container Immersed in a Jet Fuel Pool Fire," Combustion Science and Technology, 178 (10-12), 2199-2218, 2006. [PDF]

Guilkey, J.E.; Hoying, J.A.; Weiss, J.A. "Computational Modeling of Multicellular Constructs with the Material Point Method," Journal of Biomechanics, 39 (11), 2074-2086, 2006. [PDF]

Guo, Y.; Nairn, J.A. "Three-Dimensional Dynamic Fracture Analysis using the Material Point Method," Computer Modeling in Engineering and Sciences, 6, 295-308, 2006. [PDF]

Ionescu, I.; Guilkey, J.E.; Berzins, M.; Kirby, R.M.; Weiss, J.A. "Simulation of Soft Tissue Failure using the Material Point Method," Journal of Biomechanical Engineering, 128, 917-924, 2006. [PDF]

Krishnamoorthy, G.; Rawat, R.; Smith, P.J. "Parallelization of the P-1 Radiation Model," Numerical Heat Transfer, Part B: Fundamentals, 49 (1), 1-17, 2006. [PDF]

Luitjens, J.; Berzins, M.; Henderson, T. "Parallel Space-filling Curve Generation Through Sorting," Concurrency and Computation: Practice and Experience, 19 (10), 1387-1402, 2006. [PDF]

Pawlowski, R.P.; Shadid, J.N.; Simonis, J.P.; Walker, H.F. "Globalization Techniques for Newton--Krylov Methods and Applications to the Fully-coupled Solution of the Navier-Stokes Equations," SIAM, Review, 48 (4), 700-721, 2006. [PDF]

Santamaria, A.; Mondragon, F.; Molina, A.; Marsh, N.D.; Eddings, E.G.; Sarofim, A.F. "FT-IR and 1H-NMR Characterization of the Products of an Ethylene Inverse Diffusion Flame," Combustion and Flame, 146 (1-2), 52-62, 2006. [PDF]

Zhang, H.R.; Eddings, E.G.; Sarofim, A.F. "Criteria for Selection of Components for Surrogate of Natural Gas and Transportation Fuels," Proceedings of the Combustion Institute, 31, 401-409, 2006. [PDF]

Zheng, L.; Thompson, D.L. "On the Accuracy of Force Fields for Predicting the Physical Properties of Dimethylnitramine," Journal of Physical Chemistry, B, 110, 16082-16088, 2006. [PDF]

2005



Ayyagari, C.; Bedrov, D.; Smith, G.D. "Equilibrium Sampling of Self-Associating Polymer Solutions: A Parallel Selective Tempering Approach," Journal of Chemical Physics, 123 (12), 124912-124913, 2005. [
PDF]

Banerjee, B. "MPM Validation: A Myriad of Taylor Impact Tests," Internal Report, 2005. [PDF]

Banerjee, B. "The Mechanical Threshold Stress Model for Various Tempers of AISI 4340 Steel," International Journal of Solids and Structures, 44 (3-4), 834-859, 2005. [PDF]

Bardenhagen, S.G.; Brydon, A.D.; Guilkey, J.E. "Insight into the Physics of Foam Densification via Numerical Solution," Journal of Mechanics and Physics of Solids, 53, 597-617, 2005. [PDF]

Cooke, J.A.; Bellucci, M.; Smooke, M.D.; Gomez, A.; Violi, A.; Faravelli, T.; Ranzi, E. "Computational and Experimental Study of JP-8, a Surrogate, and its Components in Counterflow Diffusion Flames," Proceedings of the Combustion Institute, 30, 439–446, 2005. [PDF]

Davande, H.; Borodin, O.; Smith, G.D.; Sewell, T.D. "Quantum Chemistry-Based Force Field for Simulations of Energetic Dinitro Compounds," Energetic Materials, 23, 205, 2005. [PDF]

DeMarle, D.; Gribble, C.; Boulos, S.; Parker, S. "Memory Sharing for Interactive Ray Tracing on Clusters," Journal of Parallel Computing, 31 (2), 64-71, 2005. [PDF]

Eddings, E.G.; Yan, S.; Ciro, W.; Sarofim, A.F. "Formulation of a Surrogate for the Simulation of Jet Fuel Pool Fires," Combustion Science and Technology, 177, 715-739, 2005. [PDF]

Fife, P.; Klewicki, J.; McMurtry, P.A.; Wei, T. "Multiscaling in the Presence of Indeterminacy: Wall-Induced Turbulence," Multiscale Modeling and Simulation, 4 (3), 936-959, 2005. [PDF]

Fife, P.; Wei, T.; Klewicki, J.C.; McMurtry, P.A. "Stress Gradient Balance Layers and Scale Hierarchies in Wall-Bounded Flows," Journal of Fluid Mechanics, 532, 165-189, 2005. [PDF]

Izvekov, S.; Violi, A.; Voth, G.A. "Systematic Coarse-Graining of Nanoparticle Interactions in Molecular Dynamics Simulation," Journal of Physical Chemistry, 109 (36), 17019-17024, 2005. [PDF]

Krishnamoorthy, G.; Rawat, R.; Smith, P.J. "Parallel Computations of Radiative Heat Transfer Using the Discrete Ordinates Method," Numerical Heat Transfer, Part B: Fundamentals, 47 (1), 19-38, 2005. [PDF]

Marsh, N.D.; Preciado, I.; Eddings, E.G.; Sarofim, A.F.; Palotas, A.B.; Robertson, J.D. “Evaluation of Organometallic Fuel Additives for Soot Suppression,” Combustion Science and Technology, 179 (4-6), 987-1001, 2005. [PDF]

McDermott, R.; Kerstein, A.; Schmidt, R.; Smith, P.J. "The Ensemble Mean Limit of the One-Dimensional Turbulence Model and Application to Residual Stress Closure in Finite-Volume Large-Eddy Simulation," Journal of Turbulence, 6 (30), 30, 2005. [PDF]

Parker, S.; Zhang, K.; Damevski, C.; Johnson, C. "Integrating Component-Based Scientific Computing Software," Parallel Processing for Scientific Computing, Ed: M.A. Heroux, P. Raghavan, and H.D. Simon, 2005. [PDF]

Violi, A.; Voth, G.A. "A Multi-scale Computational Approach for Nanoparticle Growth in Combustion Environments," Lecture Notes in Computer Science, 3726, 938-947, 2005. [PDF]

Wei, T.; Fife, P.; Klewicki, J.; McMurtry, P.A. "Properties of the Mean Momentum Balance in Turbulent Boundary Layer, Pipe, and Channel Flow," Journal of Fluid Mechanics, 522, 303-327, 2005. [PDF]

Wei, T.; Fife, P.; Klewicki, J.; McMurtry, P.A. "Scaling Heat Transfer in Fully Developed Turbulent Channel Flow," International Journal of Heat and Mass Transfer, 48 (25-26), 5284-5296, 2005. [PDF]

Wei, T.; Schmidt, R.; McMurtry, P.A. "Comment on the Clauser Chart Method for Determining the Friction Velocity," Experiments in Fluids, 38 (5), 695-699, 2005. [PDF]

Yan, S.; Eddings, E.G.; Palotas, A.B.; Pugmire, R.J.; Sarofim, A.F. "Prediction of Sooting Tendency for Hydrocarbon Liquids in Diffusion Flames," Energy and Fuels, 19 (6), 2408-2415, 2005. [PDF]

Yan, S.; Jiang, Y.J.; Marsh, N.D.; Eddings, E.G.; Sarofim, A.F.; Pugmire, R.J. "Study of the Evolution of Soot from Various Fuels," Energy and Fuels, 19 (5), 1804-1811, 2005. [PDF]

2004



Ayyagari, C.; Bedrov, D.; Smith, G.D. "A Molecular Dynamics Simulation Study of The Influence of Free Surfaces on the Morphology of Self-Associating Polymers," Polymer, 45 (13), 4549-4558, 2004. [
PDF]

Banerjee, B. "MPM Validation: Sphere-Cylinder Impact: Low Resolution Simulations," Internal Report, August 2004. [PDF]

Banerjee, B. "MPM Validation: Sphere-Cylinder Impact: Medium Resolution Simulations," Internal Report, August 2004. [PDF]

Banerjee, B. "MPM Validation: Sphere-Cylinder Impact Tests : Energy Balance," Internal Report, August 2004. [PDF]

Banerjee, B.; Adams, D.O. "On Predicting the Effective Elastic Properties of Polymer Bonded Explosives Using the Recursive Cell Method," International Journal of Solids and Structures, 41 (2), 481-509, 2004. [PDF]

Bardenhagen, S.G.; Kober, E.M. "The Generalized Interpolation Material Point Method," Computer Modeling in Engineering and Sciences, 5, 477-495, 2004. [PDF]

Bedrov, D.; Smith, G.D.; Douglas, J.F. "Structural and Dynamic Heterogeneity in a Telechelic Polymer Solution," Polymer, 45, 3961-3966, 2004. [PDF]

Bedrov, D.; Smith, G.D.; Paul, W. "On the ‘Anomalous' Pressure Dependence of the Structure Factor in 1,4-Polybutadiene Melts. A Molecular Dynamics Simulation Study," Physical Review, E, 70 (1), 2004. [PDF]

Borodin, O.; Bedrov, D.; Smith, G.D.; Nairn, J.A.; Bardenhagen, S. "Multiscale Modeling of Viscoelastic Properties of Polymer Nanocomposites," Journal of Polymer Science, 43 (8), 1005-1013, 2004. [PDF]

Guo, Y.; Nairn, J.A. "Calculation of J-Integral and Stress Intensity Factors using the Material Point Method," Computer Modeling in Engineering and Sciences, 6, 295-308, 2004. [PDF]

He, Y.; Lutz, T.R.; Ediger, M.D.; Ayyagari, C.; Bedrov, D.; Smith, G.D. "NMR Experiments and Molecular Dynamics Simulations of the Segmental Dynamics of Polystyrene," Macromolecules, 37, 5032-5039, 2004. [PDF]

Nairn, J.A. "Simulation of Crack Growth in Ductile Materials," Engineering Fracture Mechanics, 72 (6), 961-979, 2004. [PDF]

Violi, A. "Modeling of Soot Particle Inception in Aromatic and Aliphatic Premixed Flames," Combustion and Flame, 139, 279-287, 2004. [PDF]

Violi, A.; Truong, T.N.; Sarofim, A.F. "Kinetics of Hydrogen Abstraction Reactions from Polycyclic Aromatic Hydrocarbons by H Atoms," Journal of Physical Chemistry, A, 108, 4846-4852, 2004. [PDF]

2003



Banerjee, B.; Adams, D.O. "Micromechanics Based Prediction of Effective Elastic Properties of Polymer Bonded Explosives," Physica, B, 338, 8-15, 2003. [
PDF]

Banerjee, B.; Cady, C.M.; Adams, D.O. "Micromechanics Simulations of Glass--estane Mock Polymer Bonded Explosives," Modeling and Simulation in Materials Science and Engineering, 11 (4), 457-475, 2003. [PDF]

Ciro, W.; Eddings, E.G.; Sarofim, A.F. "Fast Cookoff Tests Report," Internal Report, Center for Simulation of Accidental Fires and Explosions (C-SAFE), Oct. 2003. [PDF]

Fried, L.E.; Manaa, R.; Lewis, J.P. "Modeling the Reactions of Energetic Materials in the Condensed Phase," Overviews of Recent Research on Energetic Materials, Eds. D. Thompson T. Brill, and R. Shaw (World Scientific, New Jersey), 2003. [PDF]

Germain, J.D.; Morris, A.; Parker, S.G.; Malony, A.D.; Shende, S. "Performance Analysis Integration in the Uintah Software Development Cycle," International Journal of Parallel Programming, 31 (1), 35-53, 2003. [PDF]

Guilkey, J.E.; Harman, T.; Xia, A.; Kashiwa, B.; McMurtry, P.A. "An Eulerian-Lagrangian Approach for Large Deformation Fluid Structure Interaction Problems, Part 1: Algorithm Development," WIT Press, 143-156, 2003. [PDF]

Guilkey, J.E.; Weiss, J.A. "Implicit Time Integration for the Material Point Method: Quantitative and Algorithmic Comparisons With the Finite Element Method," International Journal for Numerical Methods in Engineering, 57 (9), 1323-1338, 2003. [PDF]

Harman, T.; Guilkey, J.E.; Kashiwa, B.; Schmidt, J.; McMurtry, P. "An Eulerian-Lagrangian Approach for Large Deformation Fluid Structure Interaction Problems, Part 2: Multi-Physics Simulations within a Modern Computational Framework," WIT Press, Fluid Structure Interaction II, 157-166, 2003. [PDF]

Krishnamoorthy, G.; Veranth, J.M. "Computational Modeling of CO-CO2 Ratio Inside Single Char Particles during Pulverized Coal Combustion," Energy and Fuels, 17, 1367-1371, 2003. [PDF]

Lewis, J.P. "Energetics of Intermolecular HONO Formation in Condensed-Phase Octahydro-1,2,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)," Chemical Physics, 317 (5-6), 588-593, 2003. [PDF]

Parker, S.G. "C-SAFE Uses Linux HPCC in Fire Research," Technology for Higher Education, Syllabus, 16 (7), Feburary 2003. [PDF]

Sewell, T.D.; Menikoff, R.; Bedrov, D.; Smith, G.D. "A Molecular Dynamics Simulation Study of Elastic Properties of HMX," Journal of Chemical Physics, 119 (14), 7471-7426, 2003. [PDF]

Shellman, S.; Sikorski, K. "A Recursive Algorithm for the Infinity-Norm Fixed Point Problem," Journal of Complexity, 19 (6), 799-834, 2003. [PDF]

Shellman, S.D.; Sikorski, K. "A Deep-cut Bisection Envelope Algorithm for Fixed Points," Transactions on Mathematical Software, ACM (TOMS), 29 (3), 309-325, 2003. [PDF]

Smith, G.D.; Bedrov, D.; Borodin, O. "Structural Relaxation and Dynamic Hetrogeneity in a Polymer Melt at Attractive Surfaces," Physical Review, 90 (22), 226103.1-226103.4, 2003. [PDF]

Smith, G.D.; Bedrov, D.; Byutner, O.; Borodin, O.; Ayyagari, C.; Sewell, T.D. "A Quantum Chemistry Based Potential for Poly(ester urethane)," Journal of Physical Chemistry, A, 107 (38), 7552-7560, 2003. [PDF]

Smith, J.S.; Bedrov, D.; Smith, G.D. "A Molecular Dynamics Simulation Study of Nanoparticle Interactions in Model Polymer-Nanoparticle Composites," Composites Science and Technology, 63 (11), 1599-1605, 2003. [PDF]

Spinti, J.P.; Pershing, D.W. "The Fate of Char-N at Pulverized Coal Conditions," Combustion and Flame, 135, 299-313, 2003. [PDF]

Violi, A.; Voth, G.A.; Sarofim, A.F. "A Time-scale Problem for the Formation of Soot Precursors in Premixed Flames," American Chemical Society, Division of Fuel Chemistry, 48 (2), 545-547, 2003. [PDF]

2002



Banerjee, B.; Adams, D.O. "Micromechanics-Based Prediction of Thermoelastic Properties of High Energy Materials," Constitutive Modeling of Geomaterials, edited by H.I. Ling et al., CRC Press, New York, 158-164, 2002. [
PDF]

Bedrov, D.; Smith, G.D.; Freed, K.F.; Dudowicz, J. "A Comparison of Self-Assembly in Lattice and Off-Lattice Model Amphiphile Solutions," Journal of Chemical Physics, 116, 4765-4768, 2002. [PDF]

Bedrov, D.; Smith, G.D.; Sewell, T.D. "Molecular Dynamics Simulations of HMX Crystal Polymorphs Using A Flexible Molecule Force Field," Journal of Computer-aided Materials Design, 8 (2-3), 77, 2002. [PDF]

Byutner, O.; Smith, G.D. "Viscoelastic Properties of Polybutadiene in the Glassy Regime from Molecular Dynamic Simulations," Macromolecules, 35 (9), 3769-3771, 2002. [PDF]

Johnson, C.R.; Parker, S.G.; Weinstein, D.M.; Heffernan, S. "Component-Based Problem Solving Environments for Large-Scale Scientific Computing," Concurrency and Computation: Practice and Experience, 14 (13-15), 1337-1349, 2002. [PDF]

Long, G.T.; Brems, B.A.; Wight, C.A. "Thermal Activation of the High Explosive NTO: Sublimation, Decomposition, and Autocatalysis," Journal of Physical Chemistry, B, 106 (15), 4022-4026, 2002. [PDF]

Long, G.T.; Wight, C.A. "Thermal Decomposition of a Melt-Castable High Explosive: Isoconversional Analysis of TNAZ," Journal of Physical Chemistry, B, 106, 2791-2795, 2002. [PDF]

Shellman, S.; Sikorski, K. "A Two Dimensional Bisection-Envelope Algorithm for Fixed Points," Journal of Complexity, 18 (2), 641-659, 2002. [PDF]

Smith, G.D.; Borodin, O.; Paul, W. "A Molecular Dynamics Simulation Study of Dielectric Relaxation in a 1,4-Polybutadiene Melt," Journal of Chemical Physics, 117 (22), 10350-10359, 2002. [PDF]

Tuminaro, R.S.; Walker, H.F.; Shadid, J.N. "On Backtracking Failure in Newton-GMRES Methods," Journal of Computational Physics, 180, 549-558, 2002. [PDF]

Violi, A.; Kubota, A.; Pitz, W.J.; Westbrook, C.K.; Sarofim, A.F. "Fully-integrated Molecular Dynamics – Kinetic Monte Carlo Code: a New Tool for the Study of Soot Precursor Growth in Combustion Conditions," American Chemical Society, Division of Fuel Chemistry, 47 (2), 771-772, 2002. [PDF]

Violi, A.; Kubota, A.; Truong, T.N.; Pitz, W.J.; Westbrook, C.K.; Sarofim, A.F. "A Fully- Integrated Kinetic Monte Carlo-Molecular Dynamics Approach for the Simulation of Soot Precursor Growth," Proceedings of the Combustion Institute, 29 (2), 2343-2349, 2002. [PDF]

Violi, A.; Sarofim, A.F.; Truong, T.N. "Mechanistic Pathways to Explain H-C Ratio of Soot Precursors," Combustion Science and Technology, 174 (11-12), 205-222, 2002. [PDF]

Violi, A.; Yan, S.; Eddings, E.G.; Sarofim, A.F.; Granata, S.; Faravelli, T.; Ranzi, E. "Experimental Formulation and Kinetic Model for JP-8 Surrogate Mixtures," Combustion Science and Technology, 174 (11-12), 399-417, 2002. [PDF]

2001



Barich, D.H.; Pugmire, R.J.; Grant, D.M. "Investigation of the Structural Conformation of Biphenyl by Solid State C-13 NMR and Quantum Chemical NMR Shift Calculations," Journal of Physical Chemistry, A, 105, 6780, 2001. [
PDF]

Bedrov, D.; Smith, G.D. "Exploration of Conformational Phase Space in Polymer Melts: A Comparison of Parallel Tempering and Conventional Molecular Dynamics Simulations," Journal of Chemical Physics, 115 (3), 1121-1124, 2001. [PDF]

Byutner, O.; Smith, G.D. "Prediction of the Linear Viscoelastic Shera Modulus of an Entangled Polybutadiene Melt from Simulation and Theory," Macromolecules, 34, 134, 2001. [PDF]

Byutner, O.; Smith, G.D. "Temperature and Molecular Weight Dependence of the Zero Shear-Rate Viscosity of an Entangled Polymer Melt from Simulation and Theory," Journal of Polymer Science, B, 39 (23) 3067-3071, 2001. [PDF]

D'Anna, A.; Violi, A.; D'Alessio, A.; Sarofim, A.F. "A Reaction Pathway for Nanoparticle Formation in Rich Premixed Flames," Combustion and Flame, 127 (1-2), 1995-2003, 2001. [PDF]

Facelli, J.C.; Nakagawa, B.K.; Orendt, A.M.; Pugmire, R.J. "Cluster Analysis of C-13 Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons," Journal of Physical Chemistry, A, 105, 7468, 2001. [PDF]

Johnson, C.R.; Brederson, D.; Hansen, C.; Ikits, M.; Kindlmann, G.; Livnat, Y.; Parker, S.; Weinstein, D.; Whitaker, R. "Computational Field Visualization," Mathematics Unlimited: 2001 and Beyond, Ed. B. Engquist and W. Schmid, Springer-Verlag, 605-630, 2001. [PDF]

Kniss, J.; McCormick, P.; McPherson, A.; Ahrens, J.; Painter, J.; Keahey, A.; Hansen, C. "TRex, Texture-based Volume Rendering for Extremely Large Datasets," IEEE, Computer Graphics and Applications, 21 (4), 52-61, 2001. [PDF]

Lewis, J.P.; Glaesemann, K.R.; Voth, G.A.; Fritsch, J.; Demkov, A.A.; Ortega, J.; Sankey, O.F. "Further Developments in the Local-orbital Density-functional Theory Tight-Binding Method," Physical Review, B, 64 (19), 195103, 2001. [PDF]

Ma, K.; Parker, S. "Massively Parallel Software Rendering for Visualizing Large-Scale Data Sets," IEEE, Computer Graphics and Applications, 21 (4), 72-83, 2001. [PDF]

Mendez, S.; Curro, J.G.; Putz, M.; Bedrov, D.; Smith, G.D. "An Integral Equation Theory for Polymer Solutions: Explicit Inclusion of the Solvent Molecules," Journal of Chemical Physics, 115, 5669-5678, 2001. [PDF]

Pernice, M.; Tocci, M.D. "A Multigrid-Preconditioned Newton-Krylov Method for the Incompressible Navier-Stokes Equations," SIAM, Journal on Scientific Computing, 23 (2), 398-418, 2001. [PDF]

Peterson, J.D.; Vyazovkin, S.; Wight, C.A. "Kinetics of the Thermal and Thermooxidative Degradation of Polystyrene, Polyethylene and Poly(propylene)," Macromolecular Chemistry and Physics, 202 (6), 775-784, 2001. [PDF]

Reinhard, E.; Shirley, P.; Hansen, C. "Parallel Point Reprojection," IEEE, Parallel Visualization and Graphics, 29-35, 2001. [PDF]

Smith, G.D.; Borodin, O.; Bedrov, D.; Paul, W.; Ediger, M.D. "13C NMR Spinlattice Relaxation and Conformational Dynamics in a 1,4-Polybutadiene Melt," Macromolecules, 34 (15), 5192-5199, 2001. [PDF]

Smith, G.D.; Paul, W.; Monkenbusch, M.; Richter, D. "On the Non-Gaussianity of Chain Motion in Unentangled Polymer Melts," Journal of Chemical Physics, 114, 4285-4288, 2001. [PDF]

Solum, M.S.; Sarofim, A.F.; Pugmire, R.J.; Fletcher, T.H.; Zhang, H. "C-13 NMR Analysis of Soot Produced from Model Compounds and a Coal," Energy and Fuels, 15, 961-971, 2001. [PDF]

Tan, H.; Nairn, J.A. "Hierarchical, Adaptive, Material Point Method in Dynamic Energy Release Rate Calculations," Computer Methods in Applied Mechanics and Engineering, 191, 2095-2109, 2001. [PDF]

Violi, A.; Chen, X.; Lindstrom, G.; Eddings, E.G.; Sarofim, A.F. "Validation Web Site: a Combustion Collaboratory over the Internet," Lecture Notes in Computer Science, 2074, Part II, 485-493, Ed: V.N. Alexandrov et al., 2001. [PDF]

Violi, A.; Sarofim, A.F.; Truong, T.N. "Quantum Mechanical Study of Molecular Weight Growth Process by Combination of Aromatic Molecules," Combustion and Flame, 126, 1506-1515, 2001. [PDF]

Vyazovkin, S.; Clawson, J.S.; Wight, C.A. "Thermal Dissociation Kinetics of Solid and Liquid Ammonium Nitrate," Chemistry of Materials, 13 (3), 960-966, 2001. [PDF]

Zhang, S.; Truong, T.N. "Branching Ratio and Pressure Dependent Rate Constants of Multi-Channel Unimolecular Decomposition of Gas-Phase a-HMX: An Ab Initio Dynamics Study," Journal of Physical Chemistry, A, 105, 2427, 2001. [PDF]

2000



Barich, D.H.; Orendt, A.M.; Pugmire, R.J.; Grant, D.M. "Carbon-13 Chemical Shift Tensors in Polycyclic Aromatic Compounds. 9. Biphenylene," Journal of Physical Chemistry, A, 104 (35), 8290-8295, 2000. [
PDF]

Bedrov, D.; Smith, G.; Sewell, T.D. "Thermal Conductivity of Liquid Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine (HMX) From Molecular Dynamics Simulations," Chemical Physics, 324 (1-3) 64-68, 2000. [PDF]

Bedrov, D.; Smith, G.D. "Thermal Conductivity of Molecular Fluids from Molecular Dynamics Simulations: Application of a New Imposed-Flux Method," Journal of Chemical Physics, 113, 8080, 2000. [PDF]

Bedrov, D.; Smith, G.D.; Sewell, T. "Temperature Dependent Shear Viscosity Coefficient of HMX. A Molecular Dynamic Study," Journal of Chemical Physics, 112, 7203-7208, 2000. [PDF]

Byutner, O.G.; Smith, G.D. "Quantum Chemistry Based Force Field for Simulations of Poly(vinylidene fluoride)," Macromolecules, 33, 4264-4270, 2000. [PDF]

Henderson, T.C.; McMurtry, P.A.; Smith, P.J.; Voth, G.A.; Wight, C.A.; Pershing, D.W. "Simulating Accidental Fires and Explosions," Computing in Science and Engineering, 2, 64-76, 2000. [PDF]

Lewis, J.; Sewell, T.D.; Evans, R.; Voth, G.A. "Electronic Structure Calculation of the Structures and Energies of the Three Pure Polymorphic Forms of Crystalline HMX," Journal of Physical Chemistry, B, 104 (5), 1009-1013, 2000. [PDF]

Lewis, J.P.; Glaesemann, K.R.; VanOpdorp, K.; Voth, G.A. "Ab Initio Calculations of Reactive Pathways for Gas-Phase Alpha-Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine (Alpha-HMX)," Physical Chemistry, A, 104, 11384-11389, 2000. [PDF]

Long, G.T.; Vyazovkin, S.; Brems, B.A.; Wight, C.A. "Competitive Vaporization and Decomposition of Liquid RDX," Journal of Physical Chemistry, B, 104, 2570-2574, 2000. [PDF]

Nairn, J.A. "Fracture Mechanics of Composites with Residual Stresses, Traction-Loaded Cracks, and Imperfect Interfaces," Composites Science and Technology, 61 (15) , 2159-2167, 2000. [PDF]

Pernice, M. "A Hybrid Multigrid Method for the Steady-State Incompressible Navier-Stokes Equations," Applied Mathematics and Computation, 138 (2-3), 341-353, 2000. [PDF]

Smith, G.D.; Paul, W.; Monkenbusch, M.; Richter, D. "A Comparison of Neutron Scattering Studies and Computer Simulations of Polymer Melts," Chemical Physics, 261 (1-2), 61-74, 2000. [PDF]

Sutton, P.; Hansen, C. "Accelerated Isosurface Extraction in Time-Varying Fields," IEEE, Transactions on Visualization and Computer Graphics, 6 (2), 98-107, 2000. [PDF]

Truong, T.N. "Reaction Class Transition State Theory: Hydrogen Abstraction Reactions by Hydrogen Atoms as Test Cases," Journal of Chemical Physics, 113 4957, 2000. [PDF]

Truong, T.N.; Maity, D.K.; Truong, T.-T.T. "A Combined Reaction Class Approach with Integrated Molecular Orbital + Molecular Orbital (IMOMO) Methodology: A Practical Tool for Kinetic Modeling," Journal of Chemical Physics, 112, 24, 2000. [PDF]

Vyazovkin, S.; Wight, C.A. "Estimating Realistic Confidence Intervals for the Activation Energy Determined from Thermoanalytical Measurements," Analytical Chemistry, 72, 3171-3175, 2000. [PDF]

Zhang, S.; Truong, T.N. "Direct ab initio Dynamics Studies of N+H2<-->NH+H Reaction," Journal of Chemical Physics, 113, 6149, 2000. a quantum chemistry, 2000. [PDF]

Zhang, S.; Truong, T.N. "Thermal Rate Constants of the NO2 fission reaction of Gas Phase _-HMX: A Direct Ab Initio Dynamics Study," Journal of Physical Chemistry, A, 104, 7304, 2000. [PDF]

1999



Byutner, O.G.; Smith, G.D. "Conformational Properties of Poly(vinylidene fluoride). A Quantum Chemistry Study of Model Compounds," Macromolecules, 32 (25), 8376-8382, 1999. [
PDF]

Johnson, M.A.; Truong, T.N. "High Level Ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics: NO2 and HONO Elimination from Dimethylnitramine," Journal of Physical Chemistry, A, 103 (44), 8840-8846, 1999. [PDF]

Johnson, M.A.; Truong, T.N. "Importance of Polarization in Simulations of Condensed Phased Energetic Materials," Journal of Physical Chemistry, B, 103 (44) 9392-9393, 1999. [PDF]

Maity, D.; Duncan, W.T.; Truong, T.N. "Direct Ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluoromethanes," Journal of Physical Chemistry, A, 103, 2152, 1999. [PDF]

Nairn, J.A. "Fracture Mechanics of Composites with Residual Stresses, Traction-Loaded Cracks, and Imperfect Interfaces," International Journal of Fracture, 105 (3), 243-271, 1999. [PDF]

Parker, S.; Parker, M.; Livnat, Y.; Sloan, P.-P.; Hansen, C.; Shirley, P. "Interactive Ray Tracing for Volume Visualization," IEEE, Transactions on Visualization and Computer Graphics, 5 (3), 238-250, 1999. [PDF]

Peterson, J.D.; Vyazovkin, S.; Wight, C.A. "Kinetic Study of Stabilizing Effect of Oxygen on Thermal Degradation of Poly(methyl methacrylate)," Journal of Physical Chemistry, B, 103, 8087-8092, 1999. [PDF]

Peterson, J.D.; Vyazovkin, S.; Wight, C.A. "Stabilizing Effect of Oxygen on Thermal Degradation of Poly(methyl methacrylate)," Macromolecular Rapid Communications, 20 (9), 480-483, 1999. [PDF]

Smith, G.D.; Bharadwaj, R. "Quantum Chemistry Based Force Field for Simulations of HMX," Journal of Physical Chemistry, B, 103 (18), 3570-3575, 1999. [PDF]

Smith, G.D.; Paul, W.; Monkenbusch, M.; Willner, L.; Richter, D.; Qiu, X.H.; Ediger, M.D. "Molecular Dynamics of a 1,4-Polybutadiene Melt. Comparison of Experiment and Simulation," Macromolecules, 32, 8857-8865, 1999. [PDF]

Truong, T.N.; Duncan, W.T.; Tirtowidjojo, M. "A Reaction Class Approach for Modeling Gas Phase Reaction Rates," Physical Chemistry Chemical Physics, 1 (6), 1061-1065, 1999. [PDF]

Truong, T.N.; Truong, T.-T.T. "A Reaction Class Approach with the Integrated Molecular Orbital + Molecular Orbital (IMOMO) Methodology," Chemical Physics, 314, 529, 1999. [PDF]

Vyazovkin, S.; Wight, C.A. "Kinetics of Thermal Decomposition of Cubic Ammonium Perchlorate," Chemistry of Materials, 11, 3386-3393, 1999. [PDF]

Walker, H.F. "An Adaptation of Krylov Subspace Methods to Path Following Problems," SIAM, Journal on Scientific Computing, 21 (3), 1191-1198, 1999. [PDF]

1998



Sosonkina, M.; Watson, L.T.; Kapania, R.K.; Walker, H.F. "A New Adaptive GMRES Algorithm for Achieving High Accuracy," Numerical Linear Algebra and Applications, 5, 275-297, 1998. [
PDF]

Tocci, M.D.; Kelley, C.T.; Miller, C.T.; Kees, C.E. "Inexact Newton Methods and the Method of Lines for Solving Richards' Equation in Two Space Dimensions," Computational Geosciences, 2, 291-309, 1998. [PDF]

Vyazovkin, S.; Wight, C.A. "Isothermal and Non-isothermal Kinetics of Thermally Stimulated Reactions of Solids," Physical Chemistry, 17, 407-433, 1998. [PDF]