Aerospace and Mechanical Engineering
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Thomas E. Schwartzentruber
Assistant Professor

Journal Articles

  • Singh, N., Schwartzentruber, T.E., Homes, R.J., and Cussler, E.L., 2017, Volume Diffusion in Purification by Sublimation, AIChE Journal, (Journal Article) More Details
  • Poovathingal, S., Schwartzentruber, T.E., Murray, V.J., Minton, T.K., and Candler, G.V., 2017, Finite- Rate Oxidation Model for Carbon Surfaces from Molecular Beam Experiments, AIAA Journal, (Journal Article) More Details
  • S. Poovathingal, T.E. Schwartzentruber, V.J. Murray, and T.K. Minton, 2016, Molecular Simulation of Carbon Ablation Using Beam Experiments and Resolved Microstructure, AIAA Journal, Vol. 54, No. 3, pp. 999-1010, (Journal Article) More Details
  • N. Singh, and T.E. Schwartzentruber, 2016, Heat Flux Correlation for High-Speed Flow in the Transitional Regime, Journal fo Fluid Mechanics, Vol. 792, pp. 981-996, (Journal Article) More Details
  • Valentini, P., Schwartzentruber, T.E., Bender, J.D., and Candler, G.V., 2016, Dynamics of nitrogen dissociation from direct molecular simulatoin, Physical Review Fluids, Vol 1, 043402, (Journal Article) More Details
  • Valentini, P., T. Schwartzentruber, J. Bender, and G.V. Candler, 2016, Dynamics of Nitrogen Dissociation from Direct Molecular Simulation, Physics Review Fluids, Vol. 1, No. 4, 043402, (Journal Article) More Details
  • T. E. Schwartzentruber, and I. D. Boyd, 2015, Progress and future prospects for particle-based simulation of hypersonic flow, Progress in Aerospace Sciences, Vol. 72, pp. 66-79, (Journal Article) More Details
  • R.M. Paneda, Y. Paukku, K. Duanmu, P. Norman, T.E. Schwartzentruber, and D.G. Truhlar, 2015, Atomic Oxygen Recombination at Surface Defects on Reconstructed (0001) α-Quartz Exposed to Atomic and Molecular Oxygen, The Journal of Physical Chemistry C, 119(17), pp. 9287-9301, (Journal Article) More Details
  • J.D. Bender, P. Valentini, I. Nompelis, Y. Paukku, Z. Varga, D.G. Truhlar, T.E. Schwartzentruber, and G.V. Candler, 2015, An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions, Journal of Chemical Physics, 145, 054304, (Journal Article) More Details
  • P. Valentini, T.E. Schwartzentruber, J.D. Bender, I. Nompelis, and G.V. Candler, 2015, Direct molecular simulation of nitrogen dissociation based on an ab initio potential energy surface, Physics of Fluids, 27, 086102, (Journal Article) More Details
  • Zhang, C., Valentini, P., Schwartzentruber, T. E., 2014, Nonequilibrium-Direction-Dependent Rotational Energy Model for use in Continuum and Stochastic Molecular Simulation, AIAA Journal, Vol. 52, No. 3, pp. 604-317, (Journal Article) More Details, Request PDF
  • P. Valentini, P. Norman, C. Zhang, and T. E. Schwartzentruber, 2014, Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study, Physics of Fluids, 26, 056103, (Journal Article) More Details
  • Valentini, P., Tump, P. A., Zhang, C., Schwartzentruber, T. E., 2013, Molecular Dynamics Simulations of Shock Waves in Mixtures of Noble Gases, Journal of Thermophysics and Heat Transfer, Vol. 27, No. 2, pp. 226-234, (Journal Article) More Details, Request PDF
  • Kulkarni, A. D., Truhlar, D. G., Srinivasan, S. G., van Duin, A. C. T., Norman, P., Schwartzentruber, T. E., 2013, Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential, The Journal of Physical Chemistry, Vol. 117, pp. 258-269, (Journal Article) More Details, Request PDF
  • Poovathingal, S., Schwartzentruber, T. E., Srinivasan, S. G., van Duin, A. C. T., 2013, Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite, The Journal of Physical Chemistry, Vol. 117, pp. 2692-2703, (Journal Article) More Details, Request PDF
  • Norman, P., Valentini, P., Schwartzentruber, T. E., 2013, GPU-accelerated Classical Trajectory Calculation Direct Simulation Monte Carlo applied to shock waves, Journal of Computational Physics, Vol. 247, pp. 153-167, (Journal Article) More Details, Request PDF
  • Norman, P., Schwartzentruber, T. E., Leverentz, H., Luo, S., Meana-Pañeda, R., Paukku, Y., Truhlar, D. G., 2013, The Structure of Silica Surfaces Exposed to Atomic Oxygen, The Journal of Physical Chemistry, Vol. 117, pp. 9311-9321, (Journal Article) More Details, Request PDF
  • Zhang, C. and Schwartzentruber, T.E., 2013, Inelastic Collision Selection Procedures for direct simulation Monte Carlo calculations of gas mixtures, Physics of Fluids, Vol. 25, pp. 106105- (1-13), (Journal Article) More Details, Request PDF
  • Zhang C., Thajudeen T., Larriba C., Schwartzentruber T. E., & Hogan C. J., 2012, Determination of the Scalar Friction Factor for Non-spherical Particles and Aggregates Across the Entire Knudsen Number Range by Direct Simulation Monte Carlo (DSMC), Aerosol Science and Technology, Vol. 46, pp. 1065-1078., (Journal Article) More Details, Request PDF
  • Sorensen, C., Valentini, P., Schwartzentruber, T. E., 2012, Uncertainty Analysis of Reaction Rates in a Finite-Rate Surface-Catalysis Model, Journal of Thermophysics and Heat Transfer, Vol. 26, No. 3, pp. 407-416, (Journal Article) More Details, Request PDF
  • Zhang, C., Schwartzentruber, T. E., 2012, Robust cut-cell algorithms for DSMC implementations employing multi-level Cartesian grids, (Journal Article) More Details, Request PDF
  • Valentini, P., Zhang, C., Schwartzentruber, T. E., 2012, Molecular dynamics simulation of rotational relaxation in nitrogen: Implications for rotational collision number models, Physics of Fluids, Vol. 24, pp. 106101- (1-23), (Journal Article) More Details, Request PDF
  • Sorensen, C., Valentini, P., and Schwartzentruber, T.E., 2012, Uncertainty Analysis of Reaction Rates in a Finite Rate Surface Catalysis Model, Journal of Thermophysics and Heat Transfer, Vol. 26, No. 3 pp. 407-416, (Journal Article) More Details
  • Gao, D., Zhang, C., and Schwartzentruber, T.E., 2011, Particle Simulations of Planetary Probe Flows Employing Automated Mesh Refinement, Journal of Spacecraft and Rockets, Vol. 48, No. 3, pp. 397-405, (Journal Article) More Details, Request PDF
  • Gao, D. and Schwartzentruber, T.E., 2011, Optimizations and OpenMP Implementation for the Direct Simulation Monte Carlo Method, Computers and Fluids, Vol. 42, pp. 73-81, (Journal Article) More Details, Request PDF
  • Valentini, P., Schwartzentruber, T.E., and Cozmuta, I., 2011, ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111), Surface Science, Vol. 605, pp. 1941-1950., (Journal Article) More Details, Request PDF
  • Valentini, P., Schwartzentruber, T.E., and Cozmuta, I., 2010, Molecular dynamics simulation of O2 sticking on Pt (111) using the ab initio based ReaxFF reactive force field, Journal of Chemical Physics, Vol. 133, pp. 084703- (1-9), (Journal Article) More Details, Request PDF
  • Valentini, P. and Schwartzentruber, T.E.,, 2009, Large-scale Molecular Dynamics Simulations of Normal Shock Waves in Dilute Argon, Physics of Fluids, Vol. 21, pp. 066101- (1-9), (Journal Article) More Details, Request PDF
  • Valentini, P. and Schwartzentruber, T.E., 2009, A Combined Event-Driven/Time-Driven Molecular Dynamics Algorithm for the Simulation of Shock Waves in Rarefied Gases, Journal of Computational Physics, Vol. 228, pp. 8766-8778, (Journal Article) More Details, Request PDF
  • T.E. Schwartzentruber, L.C. Scalabrin, and I.D. Boyd, 2008, Hybrid Particle–Continuum Simulations of Nonequilibrium Hypersonic Blunt-Body Flowfields, Journal of Thermophysics and Heat Transfer, Vol. 22, No. 1, pp. 402-416, (Journal Article) More Details, Request PDF
  • Schwartzentruber, T.E., Scalabrin, L.C., and Boyd, I.D., 2008, Multiscale Particle-Continuum Simulations of Hypersonic Flow over a Planetary Probe, Journal of Spacecraft and Rockets, Vol. 45, No. 6, pp. 1196-1206, (Journal Article) More Details, Request PDF
  • Schwartzentruber, T.E., Scalabrin, L.C., and Boyd, I.D., 2008, Hybrid Particle-Continuum Simulations of Hypersonic Flow over a Hollow Cylinder-Flare Geometry, AIAA Journal, Vol. 46, No. 8, pp. 2086-2095, (Journal Article) More Details, Request PDF
  • T.E. Schwartzentruber, L.C. Scalabrin, and I.D. Boyd, 2007, A modular particle–continuum numerical method for hypersonic non-equilibrium gas flows, Journal of Computational Physics, Vol. 225, No. 1, pp. 1159-1174, (Journal Article) More Details, Request PDF
  • T.E. Schwartzentruber and I.D. Boyd, 2006, A hybrid particle-continuum method applied to shock waves, Journal of Computational Physics, Vol. 215, No. 2, pp. 402-416, (Journal Article) More Details, Request PDF
  • Sislian, J.P., Martens, R.P., Schwartzentruber, T.E., and Parent, B., 2006, Numerical simulation of a real shcramjet flowfield, Journal of propulsion and power, Vol. 22, No. 5, pp. 1039-1048, (Journal Article) More Details, Request PDF
  • Schwartzentruber, T.E., Sislian, J.P., and Parent, B., 2005, Suppression of premature ignition in the premixed inlet flow of a shcramjet, AIAA Journal of Propulsion and Power, Vol. 21, No. 1, pp. 87-95, (Journal Article) More Details, Request PDF

Conference Proceedings

    Doctoral Dissertations


      Last Modified: 2013-08-19 at 11:26:42 -- this is in International Standard Date and Time Notation