cit-asci-tr323

"Load Balancing Strategies for Parallel SAMR Algorithms," R. Rotta.SURF 2005 Final Report, Catlech, Pasadena, CA.

cit-asci-tr310

"A visual Stack Based Paradigm for Visualization Environments," M. Gilbert and S. Lombeyda.

cit-asci-tr309

"TetSplat: Real-Time Rendering and Volume Clipping of Large Unstructured Tetrahedral Meshes," K. Museth and S. Lombeyda. Visualization, IEEE 10-15 Oct. 2004, 433-440, Abstract.

cit-asci-tr308

"Vector Field Analysis and Visualization through Variational Clustering," A. McKenzie, S. Lombeyda and M. Desbrun. Eurographics - IEEE VGTC Symposium on Visualization 2005.

cit-asci-tr292

"An Image Processing Approach to Surface Matching," N. Litke, M. Droske, M. Rumpf, and P. Schröder, Submitted to Eurographics Symposium of Geometry Processing, 2005, 1-10.

cit-asci-tr282

"Construction and Application of an AMR Algorithm for Distributed Memory Computers," R. Deiterding, Submitted for publication.

cit-asci-tr234

"An Out-of-core Algorithm for Isosurface Topology Simplification," Z. Wood, H. Hoppe, M. Desbrun and P. Schreder. ACM Transactions on Graphics 23(2), 2004, 190-208 (2004).

cit-asci-tr233

"Variational Normal Meshes," I. Friedel, A. Khodakovsky and P. Schreder. ACM Transactions on Graphics 23(4), 2004, 1061-1073.

cit-asci-tr232

"Immersive Design for DNA Molecules with a Tangible Interface," S. Schkolne, H. Isii and P. Schreder. Proceedings of IEEE Visualization, 2004.

cit-asci-tr231

"Axioms and Variational Problems in Surface Parameterization," U. Clarenz, N. Litke and M. Rumpf, Computer Aided Geometric Deisgn 21(8), 2004, 727-749.

cit-asci-tr230

"Extensible Hierarchical Tactic Construction in a Logical Framework," J. Hickey and A. Nogin.

cit-asci-tr229

"A Mechanism for Sequential Consistency in a Distributed Objects System," C. Tapus, A. Nogin, J. Hickey, and J. White.

cit-asci-tr228

"Reliable Frameworks for Extensible Compilers," J. Hickey, N. Gray, A. Nogin and C. Tapus. ICFP '04 Submission.

cit-asci-tr227

"Building Reliable Compilers with a Formal Methods Framework," N. Gray, C. Tapus, A. Nogin and J. Hickey.

cit-asci-tr207

"GridARM: An Autonomic Runtime Management Framework for SAMR Applications in Grid Environments," S. Chandra, M. Parashar, and S. Hariri. In the Proceedings of the Autonomic Applications Workshop, 10th International Conference on High Performance Computing (HiPC 2003), Hyderabad, India, December 2003.

cit-asci-tr206

"Engineering an Autonomic Partitioning Framework for Grid-based SAMR Applications," S. Chandra, X. Li, and M. Parashar. To appear in Hardware/Software Support for Parallel and Distributed Scientific Engineering Computing, Editor: L. T. Yang, Kluwer Academic Publishers, September 2003.

cit-asci-tr205

"Dynamic Load Partitioning Strategies for Managing Data of Space and Time Heterogeneity in Parallel SAMR Applications," X. Li and M. Parashar. In the Proceedings of 9th International Euro-Par Conference (Euro-Par 2003), Lecture Notes in Computer Science, Editors: H. Kosch, L. Boszormenyi, H. Hellwagner, Springer-Verlag, Klagenfurt, Austria, 2790, 2003, 181-188.

cit-asci-tr204

"Hierarchical Partitioning Techniques for Structured Adaptive Mesh Refinement Applications," X. Li and M. Parashar. Journal of Supercomputing 28(3), 2004, 265-278.

cit-asci-tr203

"Towards Autonomic Application-Sensitive Partitioning for SAMR Applications," S. Chandra and M. Parashar. Journal of Parallel and Distributed Computing 65(4), 2005, 519-531.

cit-asci-tr202

"A Middleware Substrate for Integrating Services on the Grid," V. Bhat and M. Parashar. Proceedings of  the 10th International Conference on High Performance Computing (HiPC 2003), Lecture Notes in Computer Science, Editors: T.M. Pinkston, V.K. Prasanna, Springer-Verlag, Hyderabad, India, 2913, 2003, 373–382.

cit-asci-tr201

"Enabling Interactive and Collaborative Computational Science on the Grid," P. Mehra and M. Parashar. Proceedings of the1st International Workshop on Web-based Collaboratories (Wbc-2003), IADIS International Conference WWW/Internet 2003, Algarve, Portugal, November 2003.

cit-asci-tr200

"Enabling Peer-to-Peer Interactions for Scientific Applications on the Grid," V. Matossian and M. Parashar. Proceedings of the 9th International Euro-Par Conference (Euro-Par 2003), Lecture Notes in Computer Science, Editors: H. Kosch, L. Boszormenyi, H. Hellwagner, Springer-Verlag, Klagenfurt, Austria, 2790, 2003, 1240–1247.

cit-asci-tr199

"DIOS++: A Framework for Rule-Based Autonomic Management of Distributed Scientific Applications," H. Liu and M. Parashar. Proceedings of the 9th International Euro-Par Conference (Euro-Par 2003), Lecture Notes in Computer Science, Editors: H. Kosch, L. Boszormenyi, H. Hellwagner, Springer-Verlag, Klagenfurt, Austria, 2790, 2003, 66–73.

cit-asci-tr198

"Real Time Feature Extraction and Tracking in a Computational Steering Environment," J. Chen, D. Silver and M. Parashar. Proceedings of the High Performance Computing Symposium (HPC2003), Society for Modeling and Simulation International, San Diego, 2003, 155-160.

cit-asci-tr178

"Symposium on Geometry Processing," L. Kobbelt, P. Schröder, and H. Hoppe, Eds. Eurographics, 2003.

cit-asci-tr177

"C1-Continuous Terrain Reconstruction from Sparse Contours," K. Hormann, S. Spinello, and P. Schröder. In Proceedings of Vision, Modeling, and Visualization, 2003.

cit-asci-tr176

"Discrete Shells," E. Grinspun, A. Hirani, M. Desbrun, and P. Schröder. In Symposium on Computer Animation, 2003, 62–67.

cit-asci-tr175

"Sparse Matrix Solvers on the GPU: Conjugate Gradients and Multigrid," J. Bolz, I. Farmer, E. Grinspun, and P. Schröder. ACM Transactions on Graphics 22(3), 2003, 917–924.

cit-asci-tr174

"Progressive Encoding of Complex Isosurfaces," H. Lee, M. Desbrun, and P. Schröder. ACM Transactions on Graphics 22(3), 2003, 471–476.

cit-asci-tr173

"Globally Smooth Parameterizations with Low Distortion," A. Khodakovsky, N. Litke, and P. Schröder. ACM Transactions on Graphics 22(3), 2003, 350–357.

cit-asci-tr172B

"Multilevel Solvers for Unstructured Surface Meshes," B. Aksoylu, A. Khodakovsky, and P. Schröder. SIAM J. Sci. Comput. 26(4), 2005, 1146-1165.

cit-asci-tr172A

"Data-Dependent Fairing of Subdivision Surfaces," I. Friedel, P. Mullen, and P. Schröder. In ACM Solid Modeling Symposium 2003, 185–195.

cit-asci-tr171

"Evaluation of Subdivision Surfaces on Programmable Graphics Hardware," J. Bolz, and P. Schröder. Submitted for publication, 2003.

cit-asci-tr162

"An odyssey into local refinement and multilevel preconditioning I: Optimality of the BPX preconditioner," B. Aksoylu and M. Holst. SIAM Jounral on Numerical Analysis 2002.

cit-asci-tr161

"An odyssey into local refinement and multilevel preconditioning II: Stabilizing hierarchical basis methods," B. Aksoylu and M. Holst. SIAM Jounral on Numerical Analysis 2002.

cit-asci-tr160

"An odyssey into local refinement and multilevel preconditioning III: Implementation and numerical experiments," B. Aksoylu, S. Bond, and M. Holst. Proceedings of the 7th Copper Mountain Conference on Iterative Methods 2002.

cit-asci-tr159

"Subdivision, multiresolution and the construction of scalable algorithms in computer craphics," P. Schröder. Multivariate Approximation and Applications 2001, 213-251, Cambridge University Press.

cit-asci-tr158

"Drawing with the Hand in Free Space," S. Schkolne. Leonardo, 35(4), 2002.

cit-asci-tr157

"Composite Primal/Dual -Subdivision Schemes," P. Oswald and P. Schröder. Computer Aided Geometric Design 20(5), 2003, 135–164.

cit-asci-tr156

"Tangible + Virtual = A Flexible 3D Interface for Spacial Construction Applied to DNA," S. Schkolne, H. Ishii, and P. Schröder. Submitted for publication, 2002.

cit-asci-tr155

"Subdivision as a Fundamental Building Block of Digital Geometry Processing Algorithms," P. Schröder. Journal of Computational and Applied Mathematics 149(1), 2002, 207–219.

cit-asci-tr154

"CHARMS: A Simple Framework for Adaptive Simulation," E. Grinspun, P. Krysl, and P. Schröder. ACM Transactions on Graphics 21(3 ), 2002, 281–290.

cit-asci-tr153

"Discrete Differential-Geometry Operators for Triangulated 2-Manifolds," M. Desbrun, M. Meyer, P. Schröder, and A. Barr. In Visualization and Mathematics III, K. P. Hans-Christian Hege, Ed. Springer Verlag, 2002, 35–57.

cit-asci-tr152

"Hybrid Meshes: Multiresolution using Regular and Irregular Refinement," I. Guskov, A. Khodakovsky, P. Schröder, and W. Sweldens. Proceedings of the Eighteenth Annual Symposium on Computational Geometry, 2002, 264-272.

cit-asci-tr151

"Near-Optimal Connectivity Encoding of 2-Manifold Polygon Meshes," A. Khodakovsky, P. Alliez, M. Desbrun, and P. Schröder. Graphical Models 64, 2002, 147–168.

cit-asci-tr150

"Natural Hierarchical Refinement for Finite Element Methods," P. Krysl, E. Grinspun and P. Schröder. International Journal for Numerical Methods in Engineering 56(8), 2003, 1109–1124.

cit-asci-tr149

"Rapid Evaluation of Catmull-Clark Subdivision Surfaces," J. Bolz and P. Schröder. In Proceedings of Web3D, 11–17, 2002.

cit-asci-tr148

"Fitting Subdivision Surfaces," N. Litke, A. Levin and P. Schröder. Proceedings of IEEE Scientific Visualization, 2001, 319-324 .

cit-asci-tr147

"Normal Bounds for Subdivision-Surface Interference Detection," E. Grinspun and P. Schröder. Proceedings of IEEE Scientific Visualization, 2001, 333-340 .

cit-asci-tr146

"An Out-of-core Algorithm for Isosurface Topology Simplification," Z. Wood, H. Hoppe, M. Desbrun, and P. Schröder. ACM TOG, April 2004.

cit-asci-tr086

"An Approach to Immersive Performance Visualization of Parallel and Wide-Area Distributed Applications," L. DeRose, M. Pantano, R. Aydt, E. Shaffer, B. Shaeffer, S. Whitmore, D.A. Reed.

cit-asci-tr085

"ARIMA Time Series Modeling and Forecasting for Adaptive I/O Prefetching," N. Tran and D.A. Reed.

cit-asci-tr084

"Performance Analysis and Visualization," D.A. Reed and R.L. Ribler, (from the book Computational Grids: State of the Art and Future Directions in High-Performance Distributed Computing, Ian Foster and Carl Kesselman (eds), Morgan-Kaufman Publishers, August 1998.

cit-asci-tr083

"Performance Analysis of Parallel Systems: Approaches and Open Problems," D.A. Reed, R.A. Aydt, L. DeRose, C.L. Mendes, R.L. Ribler, E. Shaffer, H. Simitci, J.S. Vetter, D.R. Wells, S. Whitmore, and Y. Zhang.

cit-asci-tr081

"Virtue: Immersive Performance Visualization of Parallel and Distributed Applications," E. Shaffer, D.A. Reed, S. Whitmore, and B. Shaeffer.

cit-asci-tr077

"A Fast Algorithm for Computing the Closest Point and Distance Transform," S. Mauch.

cit-asci-tr064

"Performance of an Infrastructure for Worldwide Parallel Computing," T.T. Kwan and D.A. Reed.

cit-asci-tr063

"The Autopilot Performance-Directed Adaptive Control System," R.L. Ribler, H. Simitci, and D.A. Reed.

cit-asci-tr062

"An Integrated Compilation and Performance Analysis Environment for Data Parallel Programs," V.S. Adve, J. Mellor-Crummey, M. Anderson, K. Kennedy, J.C. Wang, and D.A. Reed.

cit-asci-tr061

"An Extension of the Divide-and-Conquer Method for a Class of Symmetric Block-Tridiagonal Eigenproblems," W.N. Gansterer, R.C. Ward, and R.P. Muller.

cit-asci-tr053

"Real-time Performance Monitoring, Adaptive Control, and Interactive Steering of Computational Grids," J.S. Vetter and D.A. Reed.

cit-asci-tr052

"Managing Performance Analysis with Dynamic Statistical Projection Pursuit," J.S. Vetter and D.A. Reed.

cit-asci-tr051

"A Framework for Adaptive Storage Input/Output on Computational Grids," H. Simitci, D.A. Reed, R. Fox, M. Medina, J. Oly, N. Tran, and G. Wang.

cit-asci-tr050

"Adaptive Disk Striping for Parallel Input/Output," H. Simitci and D.A. Reed.

cit-asci-tr048

"Delphi: An Integrated, Language-Directed Performance Prediction, Measurement, and Analysis Environment," D.A. Reed, D.A. Padua, I.T. Foster, D.B. Gannon, and B.P. Miller.

cit-asci-tr047

"SvPablo: A Multi-Language Architecture-Independent Peformance Analysis System," L.A. De Rose and D.A. Reed.

cit-asci-tr046

"Autopilot: Adaptive Control of Distributed Applications," R.L. Ribler, J.S. Vetter, H. Simitci, and D.A. Reed.

cit-asci-tr045

"Integrated Compilation and Scalability Analysis for Parallel Systems," C.L. Mendes and D.A. Reed.

cit-asci-tr044

"SvPablo: A Multi-Language Performance Analysis System," L. De Rose, Y. Zhang, and D.A. Reed.

cit-asci-tr035

"Implicit Fairing of Irregular Meshes Using Diffusion and Curvature Flow," M. Desbrun, M. Meyer, P. Schröder, and A.H. Barr.

cit-asci-tr034

"Interactive Animations of Structured Deformable Objects," M. Desbrun, P. Schröder, A. Barr.

cit-asci-tr366

"A polyconvex model of materials with cubic symmetry," N. Kambouchev, J.F. Fernandez-Alcazar, and R. Radiovitzky. Submitted to Modelling and Simulation in Materials Science and Engineering, 2007.

cit-asci-tr365

"A continuum model describing the reverse grain-size dependence of the strength of nanocrystalline metals," A. Jérusalem, L. Strainer, and R. Radiovitzky. Published online, Philosophical Magazine, February 27, 2007.

cit-asci-tr364

"Influence of in-grain mesh resolution on the prediction of deformation textures in f.c.c. polycrystals," Z. Zhao, S. Kuchnicki, A. Cuitiño, and R. Radiovitzky. ACTA Materialia 55(7), 2361-2373, 2007.

cit-asci-tr363

"A discrete mechanics approach to dislocation dynamics in BCC crystals," A. Ramasubramaniam, M.P. Ariza, and M. Ortiz. J. Mech. Phys. Solids 55, 615-647, 2007,

cit-asci-tr358

"On the numerical implementation of variational arbitrary Lagrangian-Eulerian (VALE) formulations," J. Mosler and M. Ortiz. Int. J. Numer. Meth. Eng. 67, 1272-1289, 2006.

cit-asci-tr357

"BV estimates for mortar methods in linear elasticity," P. Hauret and M. Ortiz. J. Comput. Meth. Appl. Mech. Eng. 195, 4783-4793, 2006.

cit-asci-tr356

"A recursive-faulting model of distributed damage in confined brittle materials," A. Pandolfi, S. Conti, and M. Ortiz. J. Mech. Phys. Solids 54, 1972-2003, 2006.

cit-asci-tr355

"Local maximum-entropy approximation schemes: a seamless bridge between finite elements and meshfree methods," M. Arroyo and M. Ortiz. Int. J. Numer. Meth. Eng. 65, 2167-2202, 2006.

cit-asci-tr354

"A variational formulation of the coupled thermo-mechanical boundary-value problem for general dissipative solids." Q.Yang, L. Stainier L, and M. Ortiz. J. Mech. Phys. Solids 54, 401-424, 2006.

cit-asci-tr353

"A variational constitutive model for porous metal plasticity," K. Weinberg, A. Mota, and M. Ortiz. Comput. Mech. 37,142-152, 2006.

cit-asci-tr352

"A Finite-Deformation Constitutive Model of bulk Metallic Glass Plasticity," Q. Yang, A. Mota and M. Ortiz. Comput. Mech. 37, 194-204, 2006.

cit-asci-tr342

"A virtual test facility for the simulation of dynamic response in materials," J. Cummings, M. Aivazis, R. Samtaney, R. Radiovitzky, S. Mauch, and D. Meiron. J. Supercomput. 23, 39-50, 2002.

cit-asci-tr341

"Prediction of dislocation nucleation during nanoindentation of Al3Mg by the orbital-free density functional theory local quasicontinuum method," L. Hayes, G.S. Ho, M. Ortiz, and E.A. Carter. Philosphical Magazine, 86(10), 2343-2358, 2006.

cit-asci-tr339

"First-Principles Thermoelasticity fo bcc iron under pressure," X. Sha and R.E. Cohen. Submitted to Phys. Rev. B, 2006.

cit-asci-tr335

"Nanoscale Anisotropic Plastic Deformation in Single Crystal Aragonite," C. Kearney, Z. Zhao, B.J.F. Bruet, R. Radovitzky, M.C. Boyce, and C. Ortiz. Accepted for Publication in Physical Review Letters, 96(Art. No. 255505), 2006.

cit-asci-tr333

"Thermal Effects on Lattice Strain in e-Fe Under Pressure," X. Sha and R.E. Cohen. Phys. Rev. B 74, 064103, 2006.

cit-asci-tr312

Quantum Mechanics Based Multiscale Modeling of Stress-Induced Phase Transformations in Iron", A. Lew, K. Caspersen, E.A. Carter, and M. Ortiz. J. Mech. Phys. Solids, 54, 2006, 1276.

cit-asci-tr311

"An Introduction to Orbital-Free Density Theory," V. Lignères and E.A. Carter. In Handbook of Materials Modeling, S. Yip (Ed.), 2005.

cit-asci-tr303

"A general discontinuous Galerkin method for finite hyperplasticity. Formulation and numerical applications," L. Noels and R. Radiovitsky. International Journal of Numerical Methods in Engineering 68(1), 64-97, 2006.

cit-asci-tr301

"Efficient and robust constitutive integrators for single-crystal plasticity modeling," S.N. Kuchnicki, A.M. Cuitiño, and R.A. Radiovitzky. International Journal of Plasticity 22, 1988-2011, 2006.

cit-asci-tr297

"Finding Transition States for Crysalline Solid-Solid Phase Transformations," K.J.Caspersen, E. A. Carter. Proceedings of the National Academy of Sciences 102, 2005, 6738-6734.

cit-asci-tr294

"A class of variational strain-localization finite element," Q. Yang, A. Mota, M. Ortiz. International Journal for Numerical Methods in Engineering 62, 2005, 2893-2900.

cit-asci-tr293

"Nanovoid deformation in aluminum under simple shear," J. Marian, J. Knap, M. Ortiz. Acta Materialia 53, 2005, 2893-2900.

cit-asci-tr291

"Experimental measurement of mixed-mode cohesive zone laws of adhesive bonds," S. Hong, V.B. Chalivendra, A.J. Rosakis, J. Knap, and M. Ortiz. SEM Annual Conference & Exposition Symposium , Portland, OR, June 7-9, 2005.

cit-asci-tr289

"Decomposition Contact Response (DCR) for Explicit Finite Element Dynamics," F. Cirak and M. West.

cit-asci-tr288

"A Cohesive Approach to Thin-Shell Fracture and Fragmentation," F. Cirak, M. Ortiz, A. Pandolfi. Computer Methods Application Mechanical Engineering 194, 2005, 2604-2618.

cit-asci-tr287

"A Lagrangian-Eulerian shell-fluid coupling algorithm based on level sets," F. Cirak and R. Radovitzky. Computers and Structures 83, 491-498, 2005.

cit-asci-tr286

"An algorithm for modeling the interaction of a flexible rod with a two-dimensional high-speed flow," D. Tam, R. Radovitzky, and R. Samtaney. Accepted for publication in the International Journal for Numerical Methods in Engineering 64(8), 1057-1077, 2005.

cit-asci-tr285

"A study of surface roughening in fcc metals using direct numerical simulation," Z. Zhao, R. Radiovitsky, and A. Cuitiño. Acta Materialia 52, 5791-5804, 2004.

cit-asci-tr247

"Nanovoid Cavitation by Dislocation Emission in Aluminum," J. Marian, J. Knap and M. Ortiz. Physical Review Letters 93(16), 2004, 165503-1 - 165503-4.

cit-asci-tr246

"Prediction of dislocation nucleation during nanoindentation by the orbital-free density functional theory local quasicontinuum method," R.L. Hayes, M. Fago, M. Ortiz, and E.A. Carter. Multiscale Modeling and Simulation, Submitted, 2004.

cit-asci-tr245

"Density-functional-theory-based local quasicontinuum method: Prediction of dislocation nucleation," M. Fago, R.L. Hayes, E.A. Carter and M. Ortiz. Physical Review B 70, 2004, 100102(R).

cit-asci-tr244

"Comment on 'On the importance of the free energy for elasticity under pressure'," G. Steinle-Neumann, R.E. Cohen. Journal of Physics: Condensed Matter 16(47), 2004, 8783-8786.

cit-asci-tr243

"Physical properties of iron in the inner core," G. Steinle-Neumann, L. Stixrude and R.E. Cohen. In Core dynamics, structure, and rotation, Geodynamics Series 31, 2002, 137-162, edited by V. Dehant et al., American Geophysical Union, Washington, DC.

cit-asci-tr242

"Magnetism in iron as a function of pressure," G. Steinle-Neumann, R.E. Cohen, and L. Stixrude. Journal of Physics: Condensed Matter 16(14), 2004, S1109-S1119.

cit-asci-tr241

"Universal binding-energy relation for crystals that accounts for surface relaxation," R.L. Hayes, M. Ortiz and E.A. Carter. Physical Review B 69, 2004, 172104-1 - 172104-4.

cit-asci-tr240

"Importance of Shear in the bcc-to-hcp Transformation in Iron," K.J. Caspersen, A. Lew, M. Ortiz and E.A. Carter. Physical Review Letters 93(11), 2004, 115501-1 - 115501-4.

cit-asci-tr239

"Effective cohesive behavior of layers of interatomic planes," A. Braides, A.J. Lew and M. Ortiz. Arch. Rational Mech. Anal. 86, 2343-2358, 2006.

cit-asci-tr238

"Discrete Crystal Plasticity," M.P. Ariza and M. Ortiz. Submitted for publication.

cit-asci-tr237

"A multi-phase field model of planar dislocation networks," M. Koslowski and M. Ortiz. Modelling and Simulations in Materials Science and Engineering 12, 2004, 1087-1097.

cit-asci-tr236

"A constrained sequential-lamination algorithm for the simulation of sub-grid microstructure in martensitic materials," S. Aubry, M. Fago and M. Ortiz. Journal of Computer Methods in Applied Mechanics and Engineering 192, 2003, 2823-2843.

cit-asci-tr235

"A variational r-adaption and shape-optimization method for finite-deformation elasticity," P. Thoutireddy and M. Ortiz. International Journal for Numerical Methods in Engineering 61, 2004, 1-21.

cit-asci-tr211

"Non-collinear magnetism in iron at high pressures," R. E. Cohen. PEPI, Verbania Special Issue, Ed., D. Rubie, 2003.

cit-asci-tr210

"Magnetism in dense hexagonal iron," G. Steinle-Neumann, L. Stixrude, and R.E. Cohen. Proceedings of the National Academy of Science, in press, 2003.

cit-asci-tr197

"Effect of Indenter-Radius Size on Au(001) Nanoindentation," J. Knap and M. Ortiz. Physical Review Letters 90(22), 2003, 226102-1-226102-4.

cit-asci-tr196

"Multiscale Modelling of Hardening in BCC Crystal Plasticity," L. Stainier, A.M. Cuitiño, and M. Ortiz. Journal de Physique IV 105, 2003, 157-164.

cit-asci-tr195

"A Variational Arbitrary Lagrangian-Eulerian (VALE) Method of Mesh Adaption and Optimization in Static Finite-Element Calculation," P. Thoutireddy and M. Ortiz. International Journal for Numerical Methods in Engineering, submitted for publication, April 2003.

cit-asci-tr194

"A Study of solid-particle erosion of metallic targets," J.F. Molinari and M. Ortiz. International Journal of Impact Engineering 27, 2002, 347-358 .

cit-asci-tr193

"Statistical mechanicsof dissipative systems," M. Koslowski and M. Ortiz. Physical Review Letters, submitted for publication, 2003.

cit-asci-tr145

"An Efficient Adaptive Procedure for Three-Dimensional Fragmentation Simulations," A. Pandolfi and M. Ortiz Journal of Engineering with Computers. Engineering with Computers 18, 2002, 148-159.

cit-asci-tr144

"The Mechanics of Deformation-Induced Subgrain-Dislocation Structures in Metallic Crystals at Large Strains," S. Aubry and M. Ortiz. Proceedings of the Royal Society London A 451, 2003, 3131-3158 .

cit-asci-tr143

"A multiscale approach for modeling crystalline solids," A.M. Cuitiño, L. Stainier, G.F. Wang, A. Strachan, T. Cagin, W.A. Goddard, and M. Ortiz . Journal of Comptuer-Aided Materials Design 8, 2002, 127-149.

cit-asci-tr142

"A micromechanical model of hardening, rate sensitivity and thermal softening in bcc single crystals," L. Stainier, A.M. Cuitiño AM, M. Ortiz. Journal of Mechanics and Physical of Solids 50, 2002, 1511-1545 .

cit-asci-tr141

"Mixed atomistic continuum models of material behavior: The art of transcending atomistics and informing continua," M. Ortiz, A.M. Cuitiño, J. Knap, and M. Koslowski. Materials Research Society Bulletin,1-6, March 2001.

cit-asci-tr140

"An artificial-viscosity method for the lagrangian analysis of shocks in solids with strength on unstructured, arbitrary-order tetrahedral meshes," A. Lew, R. Radovitzky, and M. Ortiz. Journal of Computer-Aided Materials Design 8, 213-231, 2001.

cit-asci-tr139

"A theory of subgrain dislocation structures," M. Ortiz, E.A. Repetto, and L. Stainier. Journal of the Mechanics and Physics of Solids 48, 2000, 2077-2114.

cit-asci-tr138

"A phase-field theory of dislocation dynamics, dtrain hardening and hysteresis in ductile single crystals," M. Koslowski, A.M. Cuitiño and M. Ortiz. Journal of the Mechanics and Physics of Solids 50, 2002, 2597-2653.

cit-asci-tr127

"An Exactly Solvable Phase-Field Theory of Dislocation Dynamics, Strain Hardening and Hysteresis in Ductile Single Crystals," M. Koslowski, A.M. Cuitino and M. Ortiz.

cit-asci-tr101

"An Analysis of the Quasicontinuum Method," J. Knap and M. Ortiz. Journal of the Mechanics and Physics of Solids 49(9), 2001, 1899-1923.

cit-asci-tr099

"3D Modelling of Intersonic Crack Growth in Unidirectional Composite Plates," C. Yu, A. Pandolfi, D. Coker, M. Ortiz, and A.J. Rosakis. Int. J. Solids. Struct. 39(25), 2002, 6135-6157.

cit-asci-tr098

"3D Cohesive investigation for Brittle Materials," C. Yu, A. Pandolfi, M. Ortiz Proc. of II International Conference on Fracture and Damage Mechanics FDM, Milano (Italy) September 18-20, 2001, in 'Advances in fracture and damage mechanics II,' M. Guagliano, M.H. Aliabadi (eds.) Hoggar, 2001, 319-327.

cit-asci-tr097

"Modeling Dynamic Fracture in Transversely Isotropic Composites: a Cohesive Approach," A. Pandolfi, C. Yu, A. Corigliano, M. Ortiz XV AIMETA Congress, Taormina (published on CD), October 26-29, 2001.

cit-asci-tr095

"Time-Discretized Variational Formulation of nonsmooth Frictional Contact," A. Pandolfi, C.Kane, J.E. Marsden, and M. Ortiz. Int. J. Numer. Meth. Eng. 53(8), 2002, 1801-1829.

cit-asci-tr094

"Three-Dimensional cohesive modeling of dynamic mixed-mode fracture," G. Ruiz, A. Pandolfi, and M. Ortiz. Int. J. Numer. Meth. Eng. 52, 2001, 97-120.

cit-asci-tr093

"Three-Dimensional Finite-Element Simulation of the Dynamic Brazilian Tests on Concrete cylinders," G. Ruiz, M. Ortiz, and A. Pandolfi. Int. J. Numer. Meth. Eng. 48(7), 2000, 963-994.

cit-asci-tr092

"Three Dimensional Cohesive-Element Analysis and Experiments of Dynamic Fracture in C300,"A. Pandolfi, P. Guduru, M. Ortiz, and A.J. Rosakis. Int. J. Solids. Struct. 37 (27), 2000, 3733-3760.

cit-asci-tr091

"Finite Element Simulation of Ring Expansion and Fragmentation," A. Pandolfi, P. Krysl, and M. Ortiz.

cit-asci-tr090

"Finite-Deformation Irreversible Cohesive Elements for Three-Dimensional Crack Propagation Analysis," M. Ortiz, and A. Pandolfi. Int. J. Numer. Meth. Eng 44 (9), 1999, 1267-1282.

cit-asci-tr089

"Solid Modeling Aspects of Three-Dimensional Fragmentation," A. Pandolfi and M. Ortiz. Eng. Comput 14(4), 1998, 287-308.

cit-asci-tr080

"The Computation of the Exponential and Logarithmic Mappings and their First and Second Linearizations," M. Ortiz, R.A. Radovitzky, and E.A. Repetto.

cit-asci-tr079

"Finite-element modeling of dry sliding wear in metals," J.F. Molinari, M. Ortiz, R. Radovitzky, and E.A. Repetto. Eng. Computation 18, 2000, 592-609.

cit-asci-tr078

"An artificial viscosity, Lagrangian finite element method for capturing shocks in largely-deforming elastic-plastic materials," A. Lew, R. Radovitzky, and M. Ortiz. J. Comput-Aided. Mater. 8, 2001,213-231.

cit-asci-tr070

"Tetrahedral Mesh Generation Based on Node Insertion in Crystal Lattice Arrangements and Advancing-front-Delaunay Triangulation," R. Radovitzky and M. Ortiz. Computer Methods in Applied Mechanics and Engineering 187, 2000, 543-569.

cit-asci-tr069

"Finite Element Simulation of Dynamic Fracture and Fragmentation of Glass Rods," E.A. Repetto, R. Radovitsky, and M. Ortiz. Comput. Method Appl. M. 183, 2000, 3-14.

cit-asci-tr068

"Error Estimation and Adaptive Meshing in Strongly Nonlinear Dynamic Problems," R. Radovitzky and M. Ortiz. Comput. Method Appl. M. 172, 1999, 203-240.

cit-asci-tr055

"A High Order Eulerian Godunov Method for Elastic/Plastic Flow in Solids," G.H. Miller and P. Colella.

cit-asci-tr041

"Shock-Induced Martensitic Phase Transitions II: Graphite, Diamond, and Iron," O. Bruno and D. Vaynblat.

cit-asci-tr040

"Shock-Induced Martensitic Phase Transitions I: Critical Stresses, Two-wave Structures, Riemann Problems," O. Bruno and D. Vaynblat.

cit-asci-tr039

"Two-Wave Structures in Shock-induced Martensitic Phase Transitions," O. Bruno and D. Vaynblat.

cit-asci-tr015

"Finite Element Simulation of Ring Expansion and Fragmentation," A. Pandolfi, P. Krysl, and M. Ortiz. Int. J. Fracture 95, 1999, 279-297.

cit-asci-tr014

"The Variational Formulation of Viscoplastic Constitutive Updates," M. Ortiz and L. Stainier. Comput. Method Appl. M. 171, 1999, 419-444.

cit-asci-tr013

"Finite Element Analysis of Nonsmooth Contact," C. Kane, E.A. Repetto, M. Ortiz, and J.E. Marsden. Comput. Method Appl. M. 180, 1999, 1-26.

cit-asci-tr362

cit-asci-tr351

"A virtual test facility for simulating detonation-induced fracture of thin flexible shells," R. Deiterding, F. Cirak, S. Mauch, and D. Meiron. In P. Wesseling et al., European Conference on Computational Fluid Dynamics, 2006, Delft.

cit-asci-tr350

"A Class of Energy Stable, High-order Finite Difference interface Schemes for Adaptive Mesh Refinement of Hyperbolic Problems," R.M.J. Kramer, C. Pantano and D.I. Pullin. Submitted to the Journal of Computational Physics under Review.

cit-asci-tr322

"Large-eddy simulation and multiscale modeling of a Richtmyer-Meshkov instability flow with reshock," D.J. Hill, C. Pantano, and D.I. Pulllin. Journal of Fluid Mechanics 557, 2006, 29-61.

cit-asci-tr321

"Regular schock refraction at an oblique planar density inferface in magnetohydrodynamics," V. Wheatly, D.I. Pullin, and R. Samtaney. Journal of Fluid Mechanics 522, 2005, 179-214.

cit-asci-tr320

"Stability of an Impulsively Accelerated Density Interface in Magnetohydrodyanamics," V. Wheatly, D.I. Pullin, and R. Samtaney. Accepted for publication in Physical Review Letters.

cit-asci-tr319

"A low-numerical dissipation patch-based adaptive mesh refinement method for large-eddy simulation of compressible flows," C. Pantano, R. Deiterding, D.J. Hill, and D.I. Pullin. Journal of Computational Physics 221(1), 63-87, 2007.

cit-asci-tr317

"Detonation simulation with the AMROC framework," R. Deiterding. In K. Kremer and V. Macho, editors, Forschung und wissenschaftliches Rechnen: Beiträge zum Heinz-Billing-Preis 2003, pages 63-77, Gesellschaft für Wiss. Datenverarbeitung, Göttingen, 2004.

cit-asci-tr316

"Detonation structure simulation with AMROC," R. Deiterding. In L.T. Yang, et. Al., editors High Performance Computing and Communications, 2005, 916-927, Lecture Notes in Computer Science 3726, Springer, Berlin Heidelberg.

cit-asci-tr315

"High-resolution simulation of detonations with detailed chemistry," R. Deiterding and G. Bader. In G. Warnecke, editor, Springer, Berlin, Analysis and Numerics for Conservation Laws, 2005, 69-91.

cit-asci-tr314

"A high-resolution method for realistic detonation structure simulation," R. Deiterding. Proceedings of the Tenth International Conference on Hyperbolic Problems: Theory, Numerics, Applications, September 13-17, 2004., Vol. I, 343-350, Yokohama Publishers, 2006.

cit-asci-tr313

"A Virtual Test Facility for the efficient simulation of solid material response under strong shock and detonation wave loading," R. Deiterding, R. Radovitzky, S. Mauch, L. Noels, J.C. Cummings, and D.I. Meiron. Accepted for Publication in Engineering and Computers 22(3-4), 325-347, 2006.

cit-asci-tr296

"Impinging laminar jets at moderate Reynolds numbers and separation distances," J. Bergthorson, K. Sone, T. Mattner, P. Dimotakis, D. Goodwin, and D. Meiron. Accepted for publication in Physical Review E.

cit-asci-tr284

"The role of diffusion at shear layers in irregular detonations," M. Arienti and J.E. Shepherd, The 4th Meeting of the US Sections of the Combustion Institute, Philadelphia, PA, held March 20-23, 2005.

cit-asci-tr283

"A numerical study of detonation diffraction," M. Arienti and J.E. Shepherd. Submitted to Journal of Fluid Mechanics.

cit-asci-tr281

"Numerical Structure Analysis of Regular Hydrogen-Oxygen Detonations," Ralf Deiterding. SSCI Fall 2003 Meeting, Session 03F-28.

cit-asci-tr258

"Numerical study of the detonation wave structure in ethylene-oxygen mixtures," A.M. Khokhlov, J.M. Austin, F. Pintgen, and J.E. Shepherd. 42nd AIAA Aerospace Sciences Meeting and Exhibit, January 5-8, 2004, Reno, NV, AIAA 2004-0792.

cit-asci-tr257

"Quantitative analysis of reaction front geometry in detonations," F. Pintgen and J. E. Shepherd. In G.D. Roy, A.A. Berlin, S.M. Frolov, J.E. Shepherd, and S.A. Tsyganov, editors, International colloquium on application of detonation for propulsion 2004, 23-28, Torus Press, Moscow.

cit-asci-tr256

"Detonation loading of tubes in the modified shear wave regime," T. Chao and J.E. Shepherd,In Proceedings of the 24th International Symposium on Shock Waves, Paper 1642, presented at the 24th ISSW, Beijing, China, July 11-16, 2004.

cit-asci-tr255

"Reaction zones in highly unstable detonations," J.M. Austin, F. Pintgen, and J.E. Shepherd. In Proceedings of the 30th Combustion Institute 2, 2005, 1849-1857.

cit-asci-tr254

"Shock-compressible-vortex interactions: Computing approximate post-shock fields," G.K. O'Reilly and D.I. Pullin.

cit-asci-tr253

"On modal time correlations of turbulent velocity and scalar fields," P.A. O'Gorman and D.I. Pullin, Journal of Turbulence 5, 2004, 035.

cit-asci-tr252

"Regular Refraction of a MHD Shock at an Oblique Planar Density Interface," V. Wheatley, D.I. Pullin and R. Samtaney. Journal of Fluid Mechanics 522, 2005, 179-214.

cit-asci-tr251

"Effect of Schmidt number on the velocity-scalar cospectrum," P.A. O'Gorman and D.I. Pullin. Journal of Fluid Mechanics 532, 2005, 111-140.

cit-asci-tr250

"Smooth transonic flow in an array of counter-rotating vortices," G.K. O'Reilly and D.I. Pullin. Journal of Fluid Mechanics 524, 2005, 197-206.

cit-asci-tr249

"Direct simulation of non-premixed flame extinction in a methane-air jet with reduced chemistry," C. Pantano. Journal of Fluid Mechanics, 514, 2004, 231-270.

cit-asci-tr248

"Structure and stability of the compressible Stuart vortex," G. O'Reilly and D.I. Pullin. Journal of Fluid Mechanics, 493, 2003, 231-254.

cit-asci-tr192

"A Numerical and Analytical Study of Detonation Diffraction," M. Arienti. Ph.D. Thesis, California Institute of Technology, Pasadena, California, December 2002.

cit-asci-tr191

"Numerical and Analytical Studies of the Dynamics of Gaseous Detonations," A.C. Eckett. Ph.D. Thesis, California Institute of Technology, Pasadena, California, September 2000.

cit-asci-tr190

"Algorithms for Reaction Mechanism Reduction and Numerical Simulation of Detonations Initiated by Projectiles," P. Hung. Ph.D. Thesis, California Institute of Technology, Pasadena, California, June 2003.

cit-asci-tr189

"Comparison of fracture response of preflawed tubes under internal static and detonation loading," T.W. Chao and J.E. Shepherd. ASME Pressure Vessels and Piping Conference, Cleveland OH, July 20-24, 2003 - Published in PVP Vol. 460, 7th International Symposium on Emerging Technologies in Fluids, Structures, and Fluid-Structure Interactions2003.

cit-asci-tr188

"The role of unsteadiness in direct initiation of gaseous detonations," C.A. Eckett, J.J. Quirk, and J.E. Shepherd. Journal of Fluid Mechanics, 421, 2000, 147-183.

cit-asci-tr187

"Direct observations of reaction zone structure in propagating detonations," F. Pintgen, C.A. Eckett, J.M. Austin, and J.E. Shepherd. Combustion and Flame, 133(3), 2003, 211-229.

cit-asci-tr186

"Subgrid modeling for the filtered scalar transport equation," A. Leonard. Trends in Mathematics 257, 1999, Birkhäuser Verlag Basel, Switzerland.

cit-asci-tr185

"A Tensor-Diffusivity Subgrid Model For Large-Eddy Simulation," A. Leonard and G. S. Winckelmans. Proc of Isaac Newton Inst. Symp./ERCOFTAC, Direct and Large-Eddy Simulation III, 1999, 147, Ed. P.R. Voke, N.D. Sandham and L. Kleiser, Kluwer Academic Publishers, Dordrecht.

cit-asci-tr183

"Is LES ready for complex flows?," B.J. Geurts and A. Leonard. Proceedings of the Isaac Newton Institute Symposium, May 12-14 , 2001.

cit-asci-tr182

"Unsplit Algorithms for Multidimensional Systems of Hyperbolic Conservation Laws with Source Terms," M.V. Papalexandris, A. Leonard, and P.E.Dimotakis. 2002.

cit-asci-tr181

"A Vortex Particle Method for Two-Dimensional Compressible Flow," J.D. Eldredge, T. Colonius, and A. Leonard. 2002.

cit-asci-tr180

"Quantized Turbulence Physics," D. Kivotides and A. Leonard. 2003.

cit-asci-tr179

"Reconnection of Colliding Vortex Rings," P. Chatelain, D. Kivotides, A. Leonard. Physical Review Letters 90, 2003, 054501.

cit-asci-tr170

"Hybrid tuned center-difference WENO method for large-eddy simulations in the presence of strong shocks," D.J. Hill and D.I. Pullin. Accepted by the Journal of Computational Physics, 2003.

cit-asci-tr169

"A nonstiff additive semi-implicit Runge-Kutta scheme for finite-rate reacting flows," C. Pantano. Submitted to the Journal of Computational Physics, 2003.

cit-asci-tr168

"On the dynamics of collapse of a diffusion-flame hole," C. Pantano and D.I. Pullin. Journal of Fluid Mechanics, 480, 2003, 311-332.

cit-asci-tr167

"A statistical description of turbulent diffusion flame holes," C. Pantano and D.I. Pullin. Submitted to Combustion and Flame, 2003.

cit-asci-tr165

"Reconstruction of subgrid models for nonpremixed combustion," J. P. Medallo, S. Sarkar and C. Pantano. Physics of Fluids 15, 2003, 3280-3307.

cit-asci-tr164

"The velocity-scalar cross spectrum of stretched spiral vortices," P. O'Gorman and D.I. Pullin. Physics of Fluids 15, 2003, 280-191.

cit-asci-tr163

"Mixing of a conserved scalar in a turbulent shear layer," C. Pantano, S. Sarkar and F. A. Williams. Journal of Fluid Mechanics 481, 2003, 391-328.

cit-asci-tr137

"Reduction of Detailed Chemcial Reaction Networks for Detonation Simulations," P, Hung, and J. Shepherd. Proceedings of 12th International Detonation Symposium, August 11-16, San Diego CA 2002.

cit-asci-tr136

"A Level Set Approach to Eulerian-Lagrangian Coupling," M. Arienti, P. Hung, E. Morano and J.E. Shepherd. Journal of Computational Physics 185, 2003, 213-251, 2003.

cit-asci-tr135

"Analysis of Numerical Simulations of Detonation Diffraction," M. Arienti, J.E. Shepherd. SIAM Ninth International Conference on Numerical Combustion, April 7-10, 2002, 323-324, Sorrento, Italy.

cit-asci-tr134

"Superseismic Loading and Shock Polars: An Example of Fluid-Solid Coupling," M. Arienti and J.E.Shepherd. Proceedings of the Conference of the American Phyisical Society Topical Group on Shock Compression of Condensed Matter, June 24-29, 2001, 251-254,Atlanta.

cit-asci-tr131

"Subgrid-scale modeling for large-eddy simulations of compressible turbulence," B. Kosovic, D.I. Pullin, R. Samtaney. Physics of Fluids 14(4), 2002, 1511-1522.

cit-asci-tr130

"Axial motion and scalar transport in stretched spiral vortices," D.I. Pullin and T.S. Lundgren. Physics of Fluids 13(9), 2001 2553-2563.

cit-asci-tr129

"On Velocity Structure Functions and the Spherical Vortex Model for Isotropic Turbulence," M.A. Aivazis and D.I. Pullin.

cit-asci-tr075

"A physical-space version of the stretched-vortex subgrid-stress model for large eddy simulation," T. Voelkl, D.I. Pullin, and D. Chan.

cit-asci-tr074

The Filtered Advection-Diffusion Equations: Lagrangian Methods and Modeling, P. Moekeler. Thesis.

cit-asci-tr073

"Lagrangian Methods for the tensor-diffusivity Subgrid Model," P. Moeleker and A. Leonard.

cit-asci-tr071

"A vortex-based model for the subgrid flux of a passive scalar," D.I. Pullin.

cit-asci-tr067

"The Mixing Transition in Turbulent Flows," P.E. Dimotakis.

cit-asci-tr065

"Recent Advances in Turbulent Mixing," P.E. Dimotakis.

cit-asci-tr042

"Deconvolution of Subgrid-Scales for the Simulation of Shock-Turbulence Interaction," N.A. Adams and A. Leonard.

cit-asci-tr038

"Investigation of Mixing Effects in Incompressible Rayleigh-Taylor Instability," A.W. Cook and P.E. Dimotakis.

cit-asci-tr037

"Direct Numerical Simulation of Decaying Compressible Turbulence and Shocklet Statistics," R. Samtaney, D.I. Pullin, and B. Kosović. Submitted to Phys. Fluids.

cit-asci-tr036

Transition Stages of Rayleigh-Taylor Instability Between Miscible Fluids," A.W. Cook and P.E. Dimotakis.

cit-asci-tr011

"On the Geometry of Two-Dimensional Slices of Irregular Level Sets in Turbulent Flows," P.E. Dimotakis, H.J. Catrakis, A.W. Cook, and J. M. Patton.

cit-asci-tr010

"The Impulse Approximation for the Richtmyer-Meshkov Instability in Continuously Stratified Fluids," M. Meloon and D. Meiron.

cit-asci-tr361

"The Single-Site Vanadyl Activation, Functionalization, and Re-oxidation Reaction Mechanism for Propane Oxidative Dehydrogenation on the Cubic V4O10 Cluster," M.J. Cheng, K. Chenoweth, J. Oxgaard, A.C.T. van Duin, and W.A. Goddard. J. Phys. Chem. B., 2007.

cit-asci-tr360

"Simulations on the Effects of Confinement and Ni-catalysis on the Formation of Tubular Fullerene Structures from Peapod Structures," H. Su, R. Nielsen, A.C.T. van Duin, and W.A. Goddard. Accepted for publication in Phys. Rev.B., 2007.

cit-asci-tr359

"A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactions," A. Nakano, R.K. Kalia, K. Nomura, A. Sharma, P. Vashista, F. Shimojo, A.C.T. van Duin, W.A. Goddard, R. Biswas, and D. Srivastava. Computational Materials Science 38, 642-652, 2007.

cit-asci-tr347

"Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes," W. Goddard, B. Merinov, A. van Duin, T. Jacob, M. Blanco, V. Molinero, S.S. Jang, and Y.H. Jang. Molecular Simulation 32, 251-268, 2006.

cit-asci-tr346

"Development of the ReaxFF Reactive Force Field for Mechanistic Studies of Catalytic Selective Oxidation processes on BiMoOx," W.A. Goddard, A.C.T. van Duin, K. Chenoweth, M. Cheng, S. Pudar, J. Oxgaard, B. Merinov, Y.H. Jang, and P. Persson. Topics in Catalysis 38(1-3), 93-103, 2006.

cit-asci-tr345

"Grand canonical Monte Carlo simulations of intergranular glassy films in -silicon nitride," T.S. Hudson, D. Nguyen-Manh, A.C.T. van Duin, and A.P. Sutton. Materials Science and Engineering A 422, 123-135, 2006.

cit-asci-tr344

"Dynamics of the dissociation of hydrogen on stepped platinum surfaces using the ReaxFF reactive force field," J. Ludwig, D.G. Vlachos, A.C.T van Duin, and W.A. Goddard. Journal of Physical Chemistry B 110, 4274-4282, 2006.

cit-asci-tr331

"The Computational Materials Design Facility (CMDF): A Powerful Framework for Multiparadigm Multi-Scale Simulations," M.J. Buehler, J. Dodson, P. Meulbroek, A. Duin & W. A.Goddard. Mat. Res. Soc. Proceedings 894, 2006, LL3.8.

cit-asci-tr330

"Formation of Water at a Pt(111) Catalyst Surface: A Study Using the ReaxFF Reactive Force Field," M.J. Buehler, A. Duin, T. Jacob, B. Merinov, and W.A. Goddard. Mat. Res. Soc. Proceedings 900E, 2006, 03.9.

cit-asci-tr307

"Atomistic-Scale Simulations of the Initial Chemical Events in the Thermal Initiation of Triacetonetriperoxide," E.A. Kotomin, E. Heifets, J. Maier and W.A. Goddard III. Journal of American Chemical Society 127, 2005, 11053-11062.

cit-asci-tr306

"Development of the ReaxFF Reactive Force Field for Describing Transition Metal Catalyzed Reactions, with Application to the Initial Stages of the Catalytic Formation of Carbon Nanotubes," K.D. Nielson, A.C.T. van Duin, J. Oxgaard, W. Deng, and W.A. Goodard III. Journal of Physical Chemistry A 109, 2005, 493-499.

cit-asci-tr305

"Mechanical properties of connected carbon nanorings via molecular dynamics simulation," N. Chen, M.T. Lusk, A.C.T. van Duin, and W.A.Goddard III. Physical Review B 72, 2005, 085416-1--085416-9.

cit-asci-tr304

"Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field," K. Chenoweth, S. Cheung, A.C.T. van Duin, W.A. Goddard III, and E. M. Kober. Journal of American Chemical Society 127, 2005, 7192-7202.

cit-asci-tr302

"Multi-paradigm multi-scale modeling of dynamical crack propagation in silicon using the ReaxFF reactive force field," M.J. buehler, A.C.T. van Duin, W.A. Goddard IIII, and E.M. Kober. Physical Review Letters 96, 095505, 2006.

cit-asci-tr295

"The Effect of Al on the Sharpness of the MgSiO3 Perovskite to Post-Perovskite Phase Transition," S. Akber-Knutson, G. Steinle-Neumann, P.D. Asimow. Geophysical Research Letters, In press, 2005.

cit-asci-tr272

"Chemisorption of Atomic Oxygen on Pt(111) from DFT Studies of Pt-Clusters," T. Jacob, R.P. Muller, and W.A. Goddard III. The Journal of Physical Chemistry B 107, 2003, 9465-9476.

cit-asci-tr271

"Embedding method to simulate single atom adsorption: Cu on Cu(100)," T. Jacob, W.A. Goddard III, J. Anton, C. Sarpe-Tudoran, and B. Fricke.The Euopean Physical Journal D 24, 2003, 61-64.

cit-asci-tr270

"M3B: A coarse grain force field for molecular simulations of malto-oligosaccharides and their water mixtures," V. Molinero, W.A. Goddard III. Journal of Physical Chemistry B 108(4), 2004, 1414-1427.

cit-asci-tr269

"The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids," S.T. Lin, M. Blanco, W.A. Goddard III. Journal of Chemical Physics 119(22), 2003, 11792-11805.

cit-asci-tr268

"Adhesion and nonwetting-wetting transition in the Al/α-Al2O3 interface," Q. Zhang, T. Cagin, A. van Duin, W.A. Goddard III, Y. Qi , and L.G. Hector. Physical Review B 69(4), 2004, 045423.

cit-asci-tr267

"Ab initio calculations of the SrTiO3 (110) polar surface," E. Heifets, W.A. Goddard III, E.A. Kotomin, R.I. Eglitis, and G. Borstel. Physical Review B 69(3), 2004, 035408.

cit-asci-tr266

"Computing approximate eigenpairs of symmetric block tridiagonal matrices," W.N. Gansterer, R.C. Ward, R.P. Muller, W.A. Goddard III. Siam Journal on Scientific Computing 25(1), 2003, 65-85.

cit-asci-tr265

"Cell multipole method for molecular simulations in bulk and confined systems," J. Zheng, R. Balasundaram, S.H. Gehrke, G.S. Heffelfinger, W.A. Goddard III, and S.Y. Jiang. Journal of Chemical Physics 118(12), 2003, 5347-535.

cit-asci-tr264

"Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments," S. Luo, T.J. Ahrens, T. Cagin, A. Strachan, W.A. Goddard III, and D.C. Swift. Physical Review B 68, 2003, 134206.

cit-asci-tr263

"Atomistic simulations of the LaMnO3 (110) polar surface," E.A. Kotomin, E. Heifets, J. Maier and W.A. Goddard III. Phys. Chem. Chem. Phys. 5, 2003, 4180-4184.

cit-asci-tr262

"Calculating the Peierls energy and Peierls stress from atomistic simulations of screw dislocation dynamics: application to bcc tantalum," G. Wang, A. Strachan, T. Cagin, and W.A. Goddard III. Modelling and Simulation in Materials Science and Engineering 12(4), 2004, S371-S389.

cit-asci-tr261

"The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties," X. Xin and W. A. Goddard III. PNAS 101(9), 2004, 2673-2677.

cit-asci-tr260

"Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum," D.E. Segall, A. Strachan and W.A. Goddard III. Physical Review B 68,2003, 014104.

cit-asci-tr226

"Shock waves in high-energy materials: The initial chemical events in nitramine RDX," A. Strachan, A. van Duin, D. Chakraborti, et al. Physical Review Letters 91, 2003, 098301.

cit-asci-tr225

"Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials," G.F. Wang, A. Strachan, T. Cagin, and W. A. Goddard III. Physical Review B 67, 2003, 140101.

cit-asci-tr223

"Atomistic simulations of kinks in 1/2α<111> screw dislocations in bcc tantalum," G.F. Wang, A. Strachan, T. Cağin, and W.A. Goddard III. Physcial Review B 68, 2003, 224101.

cit-asci-tr222

"Criteria for formation of metallic glasses: The role of atomic size ratio," H.J. Lee, T. Çagin, W.A. Goddard, and W.L. Johnson. Journal of Chemical Physics 118(19), 2003, 9858-9870.

cit-asci-tr221

"ReaxFFsio Reactive Force Field for Silicon and Silicon Oxide Systems," A.C.T. van Duin, A. Strachan, S. Stewman, Q. Zhang, X. Xu, and W.A. Goddard, III. Journal of Physcial Chemistry 107, 2003, 3803-3811.

cit-asci-tr220

"Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies," Y. Qi, Y. Cheng, T. Cağin and W.A. Goddard III. Physical Review B 66, 2002, 085420.

cit-asci-tr219

"Molecular dynamics modeling of stishovite," S. Luo, T. Cagin, A. Strachan, W.A. Goddard III, and T.J. Ahrens. Earth and Planetary Science Letters 202, 2002, 147.

cit-asci-tr218

"Adhesion and nonwetting-wetting transition in the Al/ α-Al2O3 interface," Q. Zhang, T. Cagin, A. van Duin, and W.A. Goddard III. Physical Review B 69, 2004, 045423.

cit-asci-tr216

"Effect of reaction rate periodicity on detonation propagation," E.O. Morano and J.E. Shepherd. In M. D. Furnish, Y. Horie, and N. N. Thadhani, editors, Shock Compression of Condensed Matter - 2001: 12th APS Topical Conference. AIP Conference Proceedings 620, 2002, 446-449.

cit-asci-tr215

"Importance of magnetism in phase stability, equations of state, and elasticity," R.E. Cohen, S. Gramsch, G. Steinle-Neumann, and L. Stixrude. In Proceedings of the International School of Physics "Enrico Fermi", Volume CXLVII, "High-Pressure Phenomen", 2001.

cit-asci-tr214

"High-pressure thermoelasticity of body-centered-cubic tantalum," O. Gülseren and R.E. Cohen. Physical Review B 65, 2002, 064103.

cit-asci-tr213

"Structure, metal-insulator transitions, and magnetic properties of FeO at high pressures," S. A.Gramsch, R.E. Cohen, and S.Y. Savrasov. American Mineralogist 88, 2003, 257-261.

cit-asci-tr126

"Reversal of the elastic anisotropy of iron with temperature at density of Earth's inner core," G. Steinle-Neumann, L. Stixrude, R. E. Cohen, and Oguz Gulseren.

cit-asci-tr125

"Vacancy formation enthalpy at high pressures in Tantalum," S. Mukherjee, R.E. Cohen, and O. Gülseren. Journal of Physics: Condensed Matter 15, 2003, 855-861 .

cit-asci-tr122

"Ab-initio Studies of Pressure Induced Phase Transitions in BaO," M. Uludogan, T. Cagin, A Strachan, W.A. Goddard III.

cit-asci-tr121

"Atomistic characterization of the screw dislocation in Tantalum," G. Wang, A. Strachan, T. Cağin, W.A. Goddard III.

cit-asci-tr120

"Kinks in a/2<111> Screw Dislocation in Ta," G. Wang, A. Strachan, T. Cagin and W.A. Goddard III.

cit-asci-tr119

"First Principles Force Field for Metallic Tantalum," A. Strachan, T. Cagin, O. Gulseren, S. Mukherjee, R.E. Cohen, and W.A. Goddard III.

cit-asci-tr118

"Critical Behavior in Spallation Failure of Metals," A. Strachan, T. Cagin, and W.A. Goddard III.

cit-asci-tr117

"Crack propagation in a Tantalum nano-slab," A. Strachan, T. Cagin, and W.A. Goddard III.

cit-asci-tr116

"Reply to "Comment on 'The Phase Diagram of MgO from Density Functional Theory and Molecular Dynamics Simulations'"," A. Strachan, T. Cagin, and W.A. Goddard III.

cit-asci-tr115

"Accurate Calculations of the Peierls Stress in Small Periodic Cells," D.E. Segall, T. A. Arias, A. Strachan, W. Goddard III.

cit-asci-tr114

"Large Scale Atomistic Simulations of Screw Dislocation structure, Annihilation and cross-slip in FCC Ni," Y. Qi, A. Strachan, T. Cagin and W.A. Goddard III.

cit-asci-tr113

"Atomistic Simulation of kinks for 1/2α<111> Screw Dislocation in Ta," G. Wang, A. Strachan, T. Cağin, and W.A. Goddard III.

cit-asci-tr111

"Thermal condicutivity of diamond and related materials from molecular dynamics simulations," J. Che, T. Cagin, W. Deng, W. Goddard III.

cit-asci-tr110

"Application of Lightweight Threading Techniques to Computational Chemistry," J. Thornley, R. Muller, D. Mainz, T.Cagin, and W. Goddard III.

cit-asci-tr108

"A Detailed Model for the Decomposition of Nitramines: RDX ad HMX," D. Chakraborty, R. Muller, S. Dasgupta, W. Goddard III.

cit-asci-tr107

"The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Ttrinitro-1,3,5-triazine), an ab Initio Study," D. Chakraborty, R. Muller, S. Dasgupta, and W. Goddard III. Journal of Physical Chemistry A 104, 2000, 2261-2272 .

cit-asci-tr106

"Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetramotro-1,3,5,7-tetraocine), an ab Initio Study," D. Chakraborty, R. Muller, S. Dasgupta, and W. Goddard III. Journal of Physical Chemistry A 105, 2001, 1302-1314.

cit-asci-tr105

"Molecular dynamics simulations to compute the bulk response of amorphous PMMA," S.B. Sane, T. Cagin, W.A. Goddard, W.G. Knauss.

cit-asci-tr104

"Molecular dynamics simulations of supercooled liquid metals and glasses," H. Lee, Y. Qi, A. Strachan, T. Cagin, W. Johnson, Goddard III.

cit-asci-tr103

"Melting and Crystallization in Ni nanoclusters: The mesoscale regime," Y. Qi, T. Cagin, W. Johnson, Goddard III.

cit-asci-tr060

"First-Principles Elastic Constants for the hcp Transition Metals Fe, Co, and Re at High Pressure," G. Steinle-Neumann, L. Stixrude, and R.E. Cohen.

cit-asci-tr059

"Accuracy of Equation-of-State Formulations," R.E. Cohen, O. Gulseren, and R.J. Hemley.

cit-asci-tr058

"Elasticity of Iron at High Pressure and Temperature - Implications for the Earth's inner core," G. Steinle-Neumann, L. Stixrude, R.E. Cohen, and O. Gulseren.

cit-asci-tr057

"Absence of Lattice Strain Anomalies at the Electronic Topological Transition in Zinc at High Pressure," G. Steinle-Neumann, L. Stixrude, and R.E. Cohen.

cit-asci-tr056

"Thermal Equation of State of bcc Tantalum to High Pressures and Temperatures," R.E. Cohen and O. Gulseren.

cit-asci-tr031

"Morse Stretch Potential Charge Equilibrium Force Field for Ceramics: Application to the Quartz-Stishovite Phase Transition and to Silica Glass," E. Demiralp, T. Cagin, and W.A. Goddard III. Physical Review Letters 82(8), 1999, 1708-1711.

cit-asci-tr030

"Strain Rate Induced Amorphisation in Metallic Nanowires," H. Ikeda, Y. Qi, T. Cagin, K. Samwer, W.L. Johnson, W. A. Goddard, III.

cit-asci-tr029

"Molecular-dynamics Simulations of Glass Formation and Crystallization in Binary Liquid Metals: Cu-Ag and Cu-Nim," Y. Qi, T. Cagin, and W.A. Goddard III.

cit-asci-tr027

"Computational Materials Chemistry at the Nanoscale," T. Cagin, J. Che, Y. Qi, Y. Zhou, E. Demiralp, G. Gao, and W. A. Goddard III.

cit-asci-tr026

"Generalized Extended Empirical Bond-Order Dependent Force Fields Including Nonbond Interactions," J. Che, T. Cağin and W. Goddard III.

cit-asci-tr024

"Calculation of Thermal, Mechanical, and Transport Properties of Glass Formers," T. Cagin, Y. Qi, H. Li, Y. Kimura, H. Ikeda, W.L. Johnson, and W.A. Goddard III.

cit-asci-tr023

"Molecular Dynamics Simulation on Commodity Shared-Memory Systems with Lightweight Multithreading," J. Thornley, M. Hui, H. Li, T. Cagin, W.A. Goddard III.

cit-asci-tr022

"Molecular Dynamics Simulation of Vitreous Silica Structures," N.T. Huff, E. Demiralp, T. Cagin, and W.A. Goddard III.

cit-asci-tr021

"Studies of Fullerenes and Carbon Nanotubes by an Extended Bond Order Potential," J. Che, T. Cagin, W.A. Goddard, III.

cit-asci-tr020

"Simulation and Analysis of Experiments on Friction and Wear of Diamond: Material for MEMS and NEMS Applications," T. Cagin, J. Che, M.N. Gardos, A. Fijany, W.A. Goddard III.

cit-asci-tr019

"The Phase Diagram of MgO from Density Functional Theory and Molecular Dynamics Simulations," A. Strachan, T. Cağin, and W.A. Goddard III.

cit-asci-tr018

"Molecular Dynamics Simulation on Plastic Deformation of Metallic Nanowires," H. Ikeda, Y. Qi, T. Cagin, K. Samwer, W. Johnson and W. Goddard III.

cit-asci-tr017

"Theoretical Assessment of Phases of MgO from DFT and MD Simulations," A. Strachan, T. Cagin, E. Demiralp, W.A. Goddard III.

cit-asci-tr008

"Case Studies on Glass Formation and Crystallization: Binary Liquid Metals, Cu-Ag and Cu-Ni," Y. Qi, T. Cagin, and W.A. Goddard, III.

cit-asci-tr003

"The Quantum Sutton-Chen Many-Body Potential for Properties of fcc Metals," Y. Kimura, T. Cagin, Y. i and W.A. Goddard III.

cit-asci-tr002

"Viscosities of Liquid Metal Alloys from Nonequilibrium Molecular Dynamics," Y. Qi, T. Cagin, Y. Kimura, W.A. Goddard III.

cit-asci-tr340

"The Mechanical Response of Pure Iron at High Rates Under Dominant Shear," D. Rittel, G. Ravichandran and A. Venkert. Materials Science and Engineering A., 2006, A432, 191-201.

"Strain Rate Effect on the Evolution of Deformation Texture for -FE," A. Battachryya, D. Rittle, and G. Ravichandran. Metallurigical and Materials Transactions A, April 2006, 37A, 1137-1145.

cit-asci-tr300

"Fracture response of externally flawed aluminum cylindrical shells under internal gaseous detonation loading," T.W. Chao and J.E. Shepherd. International Journal of Fracture 134(1), 2005, 59-90.

cit-asci-tr299

"Experiments and modeling of Impinging laminar jets at moderate separation distances," J. Bergthorson, K. Sone, T. Mattner, P. Dimotakis. GALCITFM 2005.003.

cit-asci-tr298

"Experiments and Modeling of Impinging Jets and Premixed Hydrocarbon stagnation Flames," J.M. bergthorson. Caltech, Ph.D.Thesis, 2005.

cit-asci-tr290

"Experimental Validation of Dynamic Fragmentation Simulations," V.B. Chalivendra, S. Hong, A.J. Rosakis, J. Knap, and M. Ortiz. SEM Annual Conference & Exposition Symposium , Portland, OR, June 7-9, 2005.

cit-asci-tr280

"Dynamic Photoelastic Validation of Large Scale Fracture and Fragmentation Simulations," V.B. Chalivendra, A.J. Rosakis, I. Arias, and M. Ortiz. SEM International Congress & Esposition on Experimental & Applied Mechanics, Costa Mesa, June 7-10, 2004

cit-asci-tr279

"Validation of massively parallel simulations of dynamic fracture and fragmentation of brittle solids," I. Arias, J. Knap, V. Chalivendra, S. Hong, M. Ortiz and A.J. Rosakis.

cit-asci-tr278

"Interaction of dynamic cracks with inclined interfaces," V. Chalivendra, S. Hong, A.J. Rosakis, I. Arias, J. Knap and M. Ortiz. International Conference on Fracture, Turin, Italy, March 20-25, 2005.

cit-asci-tr277

"Particle streak velocimetry and CH laser-induced fluorescence diagnostics in strained, premixed, methane-air flames," J. M. Bergthorson, D. G. Goodwin, and P. E. Dimotakis. Proceedings of the 30th International Combustion Symposium, 2004.

cit-asci-tr276

"Turbulent Mixing," P.E. Dimotakis. Annual Review of Fluid Mechanics 37, 2005, 329-356.

cit-asci-tr275

"Large Strain Mechanical Behavior of 1018 Cold-Rolled Steel over a Wide Range of Strain Rates," M. Vural, D. Rittel, and G. Ravichandran, Metallurgical and Materials Transactions, 34A(12), 2003, 2873-2885.

cit-asci-tr274

"High-strain-rate behavior of α-iron under shear dominant loading conditions," D. Rittel and G. Ravichandran. 15th Technical Meeting DYMAT, Metz 1-2, June 2004.

cit-asci-tr273

"Effect of strain rate on deformation texture in OFHC Copper," A. Bhattacharyya, D. Rittel, and G. Ravichandran.

cit-asci-tr259

"Gaseous Detonation-Driven Fracture of Tubes," T.W. Chao. Ph.D. Thesis, California Institute of Technology, Pasadena, California, March 2004.

cit-asci-tr208

"Fundamental Structure of Steady Plastic Shock Waves in Metals," A. Molinari and G. Ravichandran. Journal of Applied Physics 95(4), 2004, 1718-1732.

cit-asci-tr066

"Flow Structure and Optical Beam Propagation in High Reynolds Number, Gas-Phase Shear Layers and Jets," P.E. Dimotakis, H.J. Catrakis, and D.C. Fourguette.