Douglas Irving

Associate Professor

University Faculty Scholar
  • 919-515-6154
  • Engineering Building I (EB1) 3028A

Douglas Irving’s interests include multiscale and atomistic simulation of interfacial degradation, thermal and mass transport, lubrication, and wear mechanisms; first principles simulation of optoelectronic properties, heterogeneous interfaces, surfaces, ultrathin films, and degradation mechanisms.

Dr. Irving’s research group uses multiscale, atomistic and first principles simulation to develop a fundamental understanding of materials used in technologically important applications and processes. Current projects include multiscale simulation of the degradation of metal catalytic layers in solid oxide fuel cells, degradation of metal/metal electrical contacts, lubrication, thermal and mass transport, and electric current driven processes, as well as, first principles simulation of degradation mechanisms, interfacial structure, stability of ultrathin films, optoelectronics, and growth mechanisms.


Ph.D. 2004

Materials Science and Engineering

University of Florida

M.S. 2002

Materials Science and Engineering

University of Florida

B.S. 1997


Furman University


Tensile and shear loading of four FCC high-entropy alloys: A first-principles study
Li, X. Q., Schonecker, S., Li, W., Varga, L. K., Irving, D. L., & Vitos, L. (2018), Physical Review B, 97(9).
Doping and compensation in Al-rich AlGaN grown on single crystal AlN and sapphire by MOCVD
Bryan, I., Bryan, Z., Washiyama, S., Reddy, P., Gaddy, B., Sarkar, B., Breckenridge, M. H., Guo, Q., Bobea, M., Tweedie, J., Mita, S., Irving, D., Collazo, R., & Sitar, Z. (2018), Applied Physics Letters, 112(6).
Influence of impurities on the high temperature conductivity of SrTiO3
Bowes, P. C., Baker, J. N., Harris, J. S., Behrhorst, B. D., & Irving, D. L. (2018), Applied Physics Letters, 112(2).
Defect mechanisms of coloration in Fe-doped SrTiO3 from first principles
Baker, J. N., Bowes, P. C., Long, D. M., Moballegh, A., Harris, J. S., Dickey, E. C., & Irving, D. L. (2017), Applied Physics Letters, 110(12).
Alloying effect on the elastic properties of refractory high-entropy alloys
Tian, L. Y., Wang, G. S., Harris, J. S., Irving, D. L., Zhao, J. J., & Vitos, L. (2017), Materials & Design, 114, 243-252.
On the origin of the 4.7 eV absorption and 2.8 eV emission bands in bulk AlN substrates
Alden, D., Bryan, Z., Gaddy, B. E., Bryan, I., Callsen, G., Koukitu, A., Kumagai, Y., Hoffmann, A., Irving, D. L., Sitar, Z., & Collazo, R. (2016), In Wide bandgap semiconductor materials and devices 17. (ECS Transactions, 72 5) (pp. 31-40).
In-situ real-space imaging of single crystal surface reconstructions via electron microscopy
Xu, W. Z., Bowes, P. C., Grimley, E. D., Irving, D. L., & LeBeau, J. M. (2016), Applied Physics Letters, 109(20).
The relation of electrical conductivity profiles and modulus data using the example of STO:Fe single crystals: A path to improve the model of resistance degradation
Bayer, T. J. M., Wang, J. J., Carter, J. J., Moballegh, A., Baker, J., Irving, D. L., Dickey, E. C., Chen, L. Q., & Randall, C. A. (2016), Acta Materialia, 117, 252-261.
Defect chemistry and resistance degradation in Fe-doped SrTiO3 single crystal
Wang, J. J., Huang, H. B., Bayer, T. J. M., Moballegh, A., Cao, Y., Klein, A., Dickey, E. C., Irving, D. L., Randall, C. A., & Chen, L. Q. (2016), Acta Materialia, 108, 229-240.
First principles exploration of near-equiatomic NiFeCrCo high entropy alloys
Niu, C., Zaddach, A. J., Koch, C. C., & Irving, D. L. (2016), Journal of Alloys and Compounds, 672, 510-520.

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