Education

Publications

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., … Sitar, Z. (2018), Applied Physics Letters, 112(6).

Hydrogen solubility in donor-doped SrTiO3 from first principles

Baker, J. N., Bowes, P. C., & Irving, D. L. (2018), APPLIED PHYSICS LETTERS, 113(13). https://doi.org/10.1063/1.5047793

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).

Mechanisms governing metal vacancy formation in BaTiO3 and SrTiO3

Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2018), JOURNAL OF APPLIED PHYSICS, 124(11). https://doi.org/10.1063/1.5044746

On compensation in Si-doped AlN

Harris, J. S., Baker, J. N., Gaddy, B. E., Bryan, I., Bryan, Z., Mirrielees, K. J., … Irving, D. L. (2018), Applied Physics Letters, 112(15).

Point-defect nature of the ultraviolet absorption band in AIN

Alden, D., Harris, J. S., Bryan, Z., Baker, J. N., Reddy, P., Mita, S., … Sitar, Z. (2018), Physical Review Applied, 9(5).

Structure of ultrathin native oxides on III-nitride surfaces

Dycus, J. H., Mirrielees, K. J., Grimley, E. D., Kirste, R., Mita, S., Sitar, Z., … LeBeau, J. M. (2018), ACS Applied Materials & Interfaces, 10(13), 10607–10611.

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).

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.

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).

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., … 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.

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).

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., … Collazo, R. (2016), In Wide bandgap semiconductor materials and devices 17 (Vol. 72, pp. 31–40).

Structure and magnetic properties of a multi-principal element Ni-Fe-Cr-Co-Zn-Mn alloy

Zaddach, A. J., Niu, C., Oni, A. A., Fan, M., LeBeau, J. M., Irving, D. L., & Koch, C. C. (2016), Intermetallics, 68, 107–112.

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., … Randall, C. A. (2016), Acta Materialia, 117, 252–261.

Accurate nanoscale crystallography in real-space using scanning transmission electron microscopy

Dycus, J. H., Harris, J. S., Sang, X. H., Fancher, C. M., Findlay, S. D., Oni, A. A., … LeBeau, J. M. (2015), Microscopy and Microanalysis, 21(4), 946–952. https://doi.org/10.1017/s1431927615013732

Direct observation of charge mediated lattice distortions in complex oxide solid solutions

Sang, X. H., Grimley, E. D., Niu, C. N., Irving, D. L., & LeBeau, J. M. (2015), Applied Physics Letters, 106(6).

Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics

Sachet, E., Shelton, C. T., Harris, J. S., Gaddy, B. E., Irving, D. L., Curtarolo, S., … Maria, J. P. (2015), Nature Materials, 14(4), 414–420.

New method for extracting diffusion-controlled kinetics from differential scanning calorimetry: Application to energetic nanostructures

Lu, S. J., Mily, E. J., Irving, D. L., Maria, J. P., & Brenner, D. W. (2015), Journal of Physical Chemistry. C, 119(25), 14411–14418.

Spin-driven ordering of Cr in the equiatomic high entropy alloy NiFeCrCo

Niu, C., Zaddach, A. J., Oni, A. A., Sang, X., Hurt, J. W., LeBeau, J. M., … Irving, D. L. (2015), Applied Physics Letters, 106(16).

A novel low-density, high-hardness, high-entropy alloy with close-packed single-phase nanocrystalline structures

Youssef, K. M., Zaddach, A. J., Niu, C. N., Irving, D. L., & Koch, C. C. (2015), Materials Research Letters, 3(2), 95–99.

Fermi level control of compensating point defects during metalorganic chemical vapor deposition growth of Si-doped AlGaN

Bryan, Z., Bryan, I., Gaddy, B. E., Reddy, P., Hussey, L., Bobea, M., … Collazo, R. (2014), Applied Physics Letters, 105(22).

Overcoming the polarization catastrophe in the rocksalt oxides MgO and CaO

Gaddy, B. E., Paisley, E. A., Maria, J. P., & Irving, D. L. (2014), Physical Review. B, Condensed Matter and Materials Physics, 90(12).

Smooth cubic commensurate oxides on gallium nitride

Paisley, E. A., Gaddy, B. E., LeBeau, J. M., Shelton, C. T., Biegalski, M. D., Christen, H. M., … Maria, J. P. (2014), Journal of Applied Physics, 115(6).

The role of the carbon-silicon complex in eliminating deep ultraviolet absorption in AlN

Gaddy, B. E., Bryan, Z., Bryan, I., Xie, J. Q., Dalmau, R., Moody, B., … Irving, D. L. (2014), Applied Physics Letters, 104(20).

Effects of alloying and local order in AuNi contacts for Ohmic radio frequency micro electro mechanical systems switches via multi-scale simulation

Gaddy, B. E., Kingon, A. I., & Irving, D. L. (2013), Journal of Applied Physics, 113(20).

Impact of Joule heating, roughness, and contaminants on the relative hardness of polycrystalline gold

Freeze, C. R., Ji, X. Y., Kingon, A. I., & Irving, D. L. (2013), Journal of Physics. Condensed Matter, 25(47).

Vacancy compensation and related donor-acceptor pair recombination in bulk AlN

Gaddy, B. E., Bryan, Z., Bryan, I., Kirste, R., Xie, J. Q., Dalmau, R., … Irving, D. L. (2013), Applied Physics Letters, 103(16).

On the origin of the 265 nm absorption band in AlN bulk crystals

Collazo, R., Xie, J. Q., Gaddy, B. E., Bryan, Z., Kirste, R., Hoffmann, M., … Sitar, Z. (2012), Applied Physics Letters, 100(19).

An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials

Dongare, A. M., LaMattina, B., Irving, D. L., Rajendran, A. M., Zikry, M. A., & Brenner, D. W. (2012), Modelling and Simulation in Materials Science and Engineering, 20(3).

Surfactant-enabled epitaxy through control of growth mode with chemical boundary conditions

Paisley, E. A., Losego, M. D., Gaddy, B. E., Tweedie, J. S., Collazo, R., Sitar, Z., … Maria, J. P. (2011), Nature Communications, 2.

Atomic and multi-scale modeling of non-equilibrium dynamics at metal-metal contacts

Crill, J. W., Ji, X., Irving, D. L., Brenner, D. W., & Padgett, C. W. (2010), Modelling and Simulation in Materials Science and Engineering, 18(3).

Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al-Pb alloys

Purohit, Y., Sun, L., Irving, D. L., Scattergood, R. O., & Brenner, D. W. (2010), Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 527(7-8), 1769–1775. https://doi.org/10.1016/j.msea.2009.11.034

Coupled molecular dynamics/continuum simulations of Joule heating and melting of isolated copper-aluminum asperity contacts

Irving, D. L., Padgett, C. W., & Brenner, D. W. (2009), Modelling and Simulation in Materials Science and Engineering, 17(1).

First-principles investigation of the structure and synergistic chemical bonding of Ag and Mg at the Al vertical bar Omega interface in a Al-Cu-Mg-Ag alloy

Sun, L. P., Irving, D. L., Zikry, M. A., & Brenner, D. W. (2009), Acta Materialia, 57(12), 3522–3528. https://doi.org/10.1016/j.actamat.2009.04.006

Integrated experimental, atomistic, and microstructurally based finite element investigation of the dynamic compressive behavior of 2139 aluminum

Elkhodary, K., Sun, L. P., Irving, D. L., Brenner, D. W., Ravichandran, G., & Zikry, M. A. (2009), Journal of Applied Mechanics: Transactions of the ASME, 76(5).

Multiscale modeling of metal-metal contact dynamics under high electromagnetic stress: Timescales and mechanisms for joule melting of Al-Cu asperities

Irving, D. L., Padgett, C. W., Guo, Y., Mintmire, J. W., & Brenner, D. W. (2009), (Vol. 45, pp. 331–335).

Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid

Purohit, Y., Jang, S., Irving, D. L., Padgett, C. W., Scattergood, R. O., & Brenner, D. W. (2008), (Vol. 493, pp. 97–100).

Influence of Pb segregation on the deformation of nanocrystalline Al: Insights from molecular simulations

Jang, S., Purohit, Y., Irving, D. L., Padgett, C., Brenner, D., & Scattergood, R. O. (2008), Acta Materialia, 56(17), 4750–4761. https://doi.org/10.1016/j.actamat.2008.05.024

MEMS Lubrication: An atomistic perspective of a bound+ mobile lubricant'

Irving, D. L., & Brenner, D. W. (2008). MEMS Lubrication: An atomistic perspective of a bound+ mobile lubricant’. Materials Research Society Symposium Proceedings, 1052, 29–34,

Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys

Jang, S., Purohit, Y., Irving, D., Padgett, C., Brenner, D., & Scattergood, R. O. (2008), (Vol. 493, pp. 53–57).

Prediction of Energies of <100> Tilt Boundaries in Al-Pb Alloy

Purohit, Y., Irving, D. L., Scattergood, R. O., & Brenner, D. W. (2008), Materials Research Society Symposium Proceedings, 1056E, 1056–HH01–105610.

The role of creep in the time-dependent resistance of Ohmic gold contacts in radio frequency microelectromechanical system devices

Rezvanian, O., Brown, C., Zikry, M. A., Kingon, A. I., Krim, J., Irving, D. L., & Brenner, D. W. (2008), Journal of Applied Physics, 104(2).

Calculated Optical Absorption and Emissions from Poly p-Phenylene Oligomers

Irving, D. L., Devine, B. D., & Sinnott, S. B. (2007), Journal of Luminescence, 126, 278.

Multiscale analysis of liquid lubrication trends from industrial machines to micro-electrical-mechanical systems

Brenner, D. W., Irving, D. L., Kingon, A. I., & Krim, J. (2007), Langmuir, 23(18), 9253–9257. https://doi.org/10.1021/la701280k

Diffusion on a self-assembled monolayer: Molecular modeling of a bound plus mobile lubricant

Irving, D. L., & Brenner, D. W. (2006), Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 110(31), 15426–15431. https://doi.org/10.1021/jp0609840

Relative stabilities of Ag multilayers on GaAs and GaSb determined from ab initio calculations

Irving, D. L., Sinnott, S. B., & Wood, R. F. (2006), Physical Review. B, Condensed Matter and Materials Physics, 74, 195403.

STM, QCM, and the windshield wiper effect: A joint theoretical-experimental study of adsorbate mobility and lubrication at high sliding rates

Abdelmaksoud, M., Lee, S. M., Padgett, C. W., Irving, D. L., Brenner, D. W., & Krim, J. (2006), Langmuir, 22(23), 9606–9609. https://doi.org/10.1021/la061797w

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