Publications

Peer Reviewed Journal Articles (Bold - Students)

  1. Ravichandran, S., Macdonald, R. L., "State-to-State Oxygen and Nitrogen Recombination Rates Computed Using Selectively Sampled Quasiclassical Trajectories.” Journal of Thermophysics and Heat Transfer. 0, 0:0 (2025). https://doi.org/10.2514/1.T7216
  2. Macdonald, R. L., "State-to-state study of non-equilibrium recombination of oxygen and nitrogen molecules," The Journal of Chemical Physics, Vol. 160, No. 13, pp. 134307. https://doi.org/10.1063/5.0195238
  3. Macdonald, R. L., Torres, E., Schwartzentruber, T., E., Panesi, M., "State-to-State Master Equation and Direct Molecular Simulation Study of Energy Transfer and Dissociation for the N2-N System," The Journal of Physical Chemistry A, Vol. 124, No. 35, pp. 6986-7000. 2020. https://doi.org/10.1021/acs.jpca.0c04029
  4. Macdonald, R. L., Grover, M. S., Schwartzentruber, T. E., Panesi, M., "Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method," The Journal of Chemical Physics, Vol. 148, No. 5, 2018, pp. 054310. https://doi.org/10.1063/1.5011332
  5. Macdonald, R. L., Jaffe, R. L., Schwenke, D. W., Panesi, M., "Construction of a coarse-grain quasi-classical trajectory method. I. Theory and application to N2-N2 system," The Journal of Chemical Physics, Vol. 148, No. 5, 2018, pp. 054309. Editor's Pick. https://doi.org/10.1063/1.5011331
  6. Macdonald, R. L., Munafò, A., Johnston, C. O., Panesi, M., "Nonequilibrium radiation and dissociation of CO molecules in shock-heated flows," Physical Review Fluids, Vol. 1, Aug. 2016, pp. 043401. https://doi.org/10.1103/PhysRevFluids.1.043401

Peer Reviewed Conference Proceedings

  1. Macdonald, R. L., Jaffe, R. L., Panesi, M., "Hybrid reduced order model for N2-N interactions for application to dissociation and energy transfer processes," 31st International Symposium on Rarefied Gas Dynamics, Glasgow, UK, 2018. https://doi.org/10.1063/1.5119638

Conference Proceedings

  1. Rodriguez, L. F., Macdonald, R. L., Aiken, T. T., Boyd, I. D., "Assessment of QCT-Master Equation Informed Chemical Kinetic Parameters for the O2+N Interaction in a Two-Temperature Mode," AIAA SciTech Forum 2026, Orlando, FL. https://doi.org/10.2514/6.2026-2803
  2. Ravichandran, S., Macdonald, R. L., "Compressible Laminar Locally Self-Similar Boundary Layers in Thermochemical Nonequilibrium," AIAA SciTech Forum 2026, Orlando, FL. https://doi.org/10.2514/6.2026-2061
  3. Braga, M. A., Macdonald, R. L., "A Study of Hypersonic Blunt Bodies With Roughness Using WRLES," AIAA SciTech Forum 2025, Orlando, FL. https://doi.org/10.2514/6.2025-2747
  4. Camp, J., Simon, J., Braga, M. A., Macdonald, R. L., "Two Temperature Wall Model for High Enthalpy Hypersonic Large Eddy Simulation," AIAA SciTech Forum 2025, Orlando, FL. https://doi.org/10.2514/6.2025-2576
  5. Rodriguez, L., Macdonald, R. L., "Rovibrational-Specific Kinetics Database and Master Equations Study on NO(X2Π)+O(3P) and O2(3Σ−g )+N(4S) Systems," AIAA SciTech Forum 2025, Orlando, FL, 2025. https://doi.org/10.2514/6.2025-2341
  6. Ravichandran, S., Macdonald, R. L., "Accelerated Molecular Dynamics-Based Gas-Phase Recombination Rate Coefficients for O3," AIAA Aviation Forum 2024, Las Vegas, NV, 2024. https://doi.org/10.2514/6.2024-3649
  7. Macdonald, R. L., "Non-Equilibrium Kinetics of C + N2 for Titan Entry Applications," AIAA Aviation Forum 2024, Las Vegas, NV, 2024. https://doi.org/10.2514/6.2024-3648
  8. Braga, M. A., Dungan, S., Brehm, C., Macdonald, R. L., "Numerical Simulation of Boundary Layer Transition on Mach 6 Cylinder with Randomly Phase Sinusoidal Roughness," AIAA SCITECH Forum 2024, Orlando, FL, 2024. https://doi.org/10.2514/6.2024-1976
  9. Hendrickson, T. R., Macdonald, R. L., Subbareddy, P. K., Candler, G. V., "Variable Turbulent Prandtl Number Model and Compressible Corrections for WMLES of Cold Wall Boundary Layers," AIAA SCITECH Forum 2024, Orlando, FL, 2024. https://doi.org/10.2514/6.2024-2730
  10. Hendrickson, T. R., Subbareddy, P., Candler, G. V., Macdonald, R. L., "Applying compressible transformations to wall modeled LES of cold wall flat plate boundary layers," AIAA SCITECH Forum 2023, National Harbor, MD, 2023. https://doi.org/10.2514/6.2023-2635
  11. Macdonald, R. L., Candler, G. V., "Evaluation of Wall Modeled Large Eddy Simulation of Cold Wall Hypersonic Boundary Layer," AIAA SCITECH Forum 2021, Virtual, 2021. https://doi.org/10.2514/6.2021-1844
  12. Macdonald, R. L., Torres, E., Schwartzentruber, T. E., Panesi, M., "State-to-state and direct molecular simulation study of energy transfer and dissociation of nitrogen mixtures," AIAA SCITECH Forum 2020, Orlando, FL, 2020. https://doi.org/10.2514/6.2020-1712
  13. Macdonald, R. L., Grover, M. S., Schwartzentruber, T. E., Panesi, M., "State-to-State and Direct Molecular Simulation Study of energy transfer and dissociation in nitrogen mixtures," AIAA SCITECH Forum 2018, Kissimmee, FL, 2018. https://doi.org/10.2514/6.2018-0239
  14. Macdonald, R. L., Panesi, M., "Coarse Grain Model for Energy Transfer and Dissociation," AIAA SCITECH Forum 2018, Kissimmee, FL, 2018. https://doi.org/10.2514/6.2018-1230
  15. Macdonald, R. L., Jaffe, R. L., Schwenke, D. W., Munafò, A., Panesi, M., "Ab initio based rovibrational grouping model for N2(1Σ+g)-N2(1Σ+g) energy transfer and dissociation," AIAA Aviation Forum 2017, Denver, CO, 2017. https://doi.org/10.2514/6.2017-3164
  16. Macdonald, R. L., Grover, M. S., Schwartzentruber, T. E., Panesi, M., "Coarse grain modeling and direct molecular simulation of nitrogen dissociation," AIAA Aviation Forum 2017, Denver, CO, 2017. https://doi.org/10.2514/6.2017-3165
  17. Munafò, A., Venturi, S., Macdonald, R. L., Panesi, M., "State-to-state and reduced-order models for recombination and energy transfer in aerothermal environments," AIAA SCITECH Forum 2016, San Diego, CA, 2016. https://doi.org/10.2514/6.2016-0505
  18. Macdonald, R. L., Munafò, A., Johnston, C. O., Panesi, M., "Modeling of Non-equilibrium Radiation for CO2-N2 Gas Mixtures," AIAA SCITECH Forum 2016, San Diego, CA, 2016. https://doi.org/10.2514/6.2016-1728
  19. Macdonald, R. L., Munafò, A., Panesi, M., "Rovibrational grouping for "N2(1Σ+g)-N2(1Σ+g) energy transfer using state-to-state model," AIAA Aviation Forum 2016, Washington, DC, 2016. https://doi.org/10.2514/6.2016-4315
  20. Macdonald, R. L., Munafò, A., Johnston, C. O., Panesi, M., "State-to-State Modeling of CO for Mars Entry Applications," AIAA SCITECH Forum 2015, Kissimmee, FL, 2015. https://doi.org/10.2514/6.2015-0476