Publications

Peer Reviewed Journal Articles (Bold - Students)

  1. Ravichandran, S., Macdonald, R. L., "Oxygen and nitrogen recombination using accelerated molecular dynamics-based ab-initio kinetics," In preparation for The Journal of Chemical Physics. To be submitted September 2024.

  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. 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
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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