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Douglas Irving

Materials Science & Engineering

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Douglas Irving

Works (51)

Bryan, I., Bryan, Z., Washiyama, S., Reddy, P., Gaddy, B., Sarkar, B., … Sitar, Z. (2018). Doping and compensation in Al-rich AlGaN grown on single crystal AlN and sapphire by MOCVD. Applied Physics Letters, 112(6).

Source: NCSU Libraries

Baker, J. N., Bowes, P. C., & Irving, D. L. (2018). Hydrogen solubility in donor-doped SrTiO3 from first principles. APPLIED PHYSICS LETTERS, 113(13). https://doi.org/10.1063/1.5047793

Source: NCSU Libraries

Bowes, P. C., Baker, J. N., Harris, J. S., Behrhorst, B. D., & Irving, D. L. (2018). Influence of impurities on the high temperature conductivity of SrTiO3. Applied Physics Letters, 112(2).

Source: NCSU Libraries

Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2018). Mechanisms governing metal vacancy formation in BaTiO3 and SrTiO3. JOURNAL OF APPLIED PHYSICS, 124(11). https://doi.org/10.1063/1.5044746

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Harris, J. S., Baker, J. N., Gaddy, B. E., Bryan, I., Bryan, Z., Mirrielees, K. J., … Irving, D. L. (2018). On compensation in Si-doped AlN. Applied Physics Letters, 112(15).

Source: NCSU Libraries

Alden, D., Harris, J. S., Bryan, Z., Baker, J. N., Reddy, P., Mita, S., … Sitar, Z. (2018). Point-defect nature of the ultraviolet absorption band in AIN. Physical Review Applied, 9(5).

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Dycus, J. H., Mirrielees, K. J., Grimley, E. D., Kirste, R., Mita, S., Sitar, Z., … LeBeau, J. M. (2018). Structure of ultrathin native oxides on III-nitride surfaces. ACS Applied Materials & Interfaces, 10(13), 10607–10611.

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Li, X. Q., Schonecker, S., Li, W., Varga, L. K., Irving, D. L., & Vitos, L. (2018). Tensile and shear loading of four FCC high-entropy alloys: A first-principles study. Physical Review B, 97(9).

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Tian, L. Y., Wang, G. S., Harris, J. S., Irving, D. L., Zhao, J. J., & Vitos, L. (2017). Alloying effect on the elastic properties of refractory high-entropy alloys. Materials & Design, 114, 243–252.

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Baker, J. N., Bowes, P. C., Long, D. M., Moballegh, A., Harris, J. S., Dickey, E. C., & Irving, D. L. (2017). Defect mechanisms of coloration in Fe-doped SrTiO3 from first principles. Applied Physics Letters, 110(12).

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Wang, J. J., Huang, H. B., Bayer, T. J. M., Moballegh, A., Cao, Y., Klein, A., … Chen, L. Q. (2016). Defect chemistry and resistance degradation in Fe-doped SrTiO3 single crystal. Acta Materialia, 108, 229–240.

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Niu, C., Zaddach, A. J., Koch, C. C., & Irving, D. L. (2016). First principles exploration of near-equiatomic NiFeCrCo high entropy alloys. Journal of Alloys and Compounds, 672, 510–520.

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Xu, W. Z., Bowes, P. C., Grimley, E. D., Irving, D. L., & LeBeau, J. M. (2016). In-situ real-space imaging of single crystal surface reconstructions via electron microscopy. Applied Physics Letters, 109(20).

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Alden, D., Bryan, Z., Gaddy, B. E., Bryan, I., Callsen, G., Koukitu, A., … Collazo, R. (2016). On the origin of the 4.7 eV absorption and 2.8 eV emission bands in bulk AlN substrates. In Wide bandgap semiconductor materials and devices 17 (Vol. 72, pp. 31–40).

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Zaddach, A. J., Niu, C., Oni, A. A., Fan, M., LeBeau, J. M., Irving, D. L., & Koch, C. C. (2016). Structure and magnetic properties of a multi-principal element Ni-Fe-Cr-Co-Zn-Mn alloy. Intermetallics, 68, 107–112.

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Bayer, T. J. M., Wang, J. J., Carter, J. J., Moballegh, A., Baker, J., Irving, D. L., … Randall, C. A. (2016). 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. Acta Materialia, 117, 252–261.

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Dycus, J. H., Harris, J. S., Sang, X. H., Fancher, C. M., Findlay, S. D., Oni, A. A., … LeBeau, J. M. (2015). Accurate nanoscale crystallography in real-space using scanning transmission electron microscopy. Microscopy and Microanalysis, 21(4), 946–952. https://doi.org/10.1017/s1431927615013732

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Sang, X. H., Grimley, E. D., Niu, C. N., Irving, D. L., & LeBeau, J. M. (2015). Direct observation of charge mediated lattice distortions in complex oxide solid solutions. Applied Physics Letters, 106(6).

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Sachet, E., Shelton, C. T., Harris, J. S., Gaddy, B. E., Irving, D. L., Curtarolo, S., … Maria, J. P. (2015). Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics. Nature Materials, 14(4), 414–420.

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Lu, S. J., Mily, E. J., Irving, D. L., Maria, J. P., & Brenner, D. W. (2015). New method for extracting diffusion-controlled kinetics from differential scanning calorimetry: Application to energetic nanostructures. Journal of Physical Chemistry. C, 119(25), 14411–14418.

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Niu, C., Zaddach, A. J., Oni, A. A., Sang, X., Hurt, J. W., LeBeau, J. M., … Irving, D. L. (2015). Spin-driven ordering of Cr in the equiatomic high entropy alloy NiFeCrCo. Applied Physics Letters, 106(16).

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Youssef, K. M., Zaddach, A. J., Niu, C. N., Irving, D. L., & Koch, C. C. (2015). A novel low-density, high-hardness, high-entropy alloy with close-packed single-phase nanocrystalline structures. Materials Research Letters, 3(2), 95–99.

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Bryan, Z., Bryan, I., Gaddy, B. E., Reddy, P., Hussey, L., Bobea, M., … Collazo, R. (2014). Fermi level control of compensating point defects during metalorganic chemical vapor deposition growth of Si-doped AlGaN. Applied Physics Letters, 105(22).

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Gaddy, B. E., Paisley, E. A., Maria, J. P., & Irving, D. L. (2014). Overcoming the polarization catastrophe in the rocksalt oxides MgO and CaO. Physical Review. B, Condensed Matter and Materials Physics, 90(12).

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

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Gaddy, B. E., Bryan, Z., Bryan, I., Xie, J. Q., Dalmau, R., Moody, B., … Irving, D. L. (2014). The role of the carbon-silicon complex in eliminating deep ultraviolet absorption in AlN. Applied Physics Letters, 104(20).

Source: NCSU Libraries

Gaddy, B. E., Kingon, A. I., & Irving, D. L. (2013). Effects of alloying and local order in AuNi contacts for Ohmic radio frequency micro electro mechanical systems switches via multi-scale simulation. Journal of Applied Physics, 113(20).

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Freeze, C. R., Ji, X. Y., Kingon, A. I., & Irving, D. L. (2013). Impact of Joule heating, roughness, and contaminants on the relative hardness of polycrystalline gold. Journal of Physics. Condensed Matter, 25(47).

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Gaddy, B. E., Bryan, Z., Bryan, I., Kirste, R., Xie, J. Q., Dalmau, R., … Irving, D. L. (2013). Vacancy compensation and related donor-acceptor pair recombination in bulk AlN. Applied Physics Letters, 103(16).

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Collazo, R., Xie, J. Q., Gaddy, B. E., Bryan, Z., Kirste, R., Hoffmann, M., … Sitar, Z. (2012). On the origin of the 265 nm absorption band in AlN bulk crystals. Applied Physics Letters, 100(19).

Source: NCSU Libraries

Dongare, A. M., LaMattina, B., Irving, D. L., Rajendran, A. M., Zikry, M. A., & Brenner, D. W. (2012). An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials. Modelling and Simulation in Materials Science and Engineering, 20(3).

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Paisley, E. A., Losego, M. D., Gaddy, B. E., Tweedie, J. S., Collazo, R., Sitar, Z., … Maria, J. P. (2011). Surfactant-enabled epitaxy through control of growth mode with chemical boundary conditions. Nature Communications, 2.

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Crill, J. W., Ji, X., Irving, D. L., Brenner, D. W., & Padgett, C. W. (2010). Atomic and multi-scale modeling of non-equilibrium dynamics at metal-metal contacts. Modelling and Simulation in Materials Science and Engineering, 18(3).

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Purohit, Y., Sun, L., Irving, D. L., Scattergood, R. O., & Brenner, D. W. (2010). Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al-Pb alloys. 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

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Sinnott, S. B., Heo, S. J., Brenner, D. W., Harrison, J. A., & Irving, D. L. (2010). Computer Simulation of Nanometer-Scale Indentation and Friction’. In Handbook of Nanotechnology, Third Edition (pp. 955–1012). New York: Springer.

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Irving, D. L. (2010). Understanding Metal/Metal Electrical Contact Conductance from the Atomic to Continuum Scales. In Kenneth B. Lipkowitz (Ed.) (Ed.). Oxford: Wiley-Blackwell.

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Irving, D. L., Padgett, C. W., & Brenner, D. W. (2009). Coupled molecular dynamics/continuum simulations of Joule heating and melting of isolated copper-aluminum asperity contacts. Modelling and Simulation in Materials Science and Engineering, 17(1).

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

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Elkhodary, K., Sun, L. P., Irving, D. L., Brenner, D. W., Ravichandran, G., & Zikry, M. A. (2009). Integrated experimental, atomistic, and microstructurally based finite element investigation of the dynamic compressive behavior of 2139 aluminum. Journal of Applied Mechanics: Transactions of the ASME, 76(5).

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Irving, D. L., Padgett, C. W., Guo, Y., Mintmire, J. W., & Brenner, D. W. (2009). Multiscale modeling of metal-metal contact dynamics under high electromagnetic stress: Timescales and mechanisms for joule melting of Al-Cu asperities (Vol. 45, pp. 331–335).

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Purohit, Y., Jang, S., Irving, D. L., Padgett, C. W., Scattergood, R. O., & Brenner, D. W. (2008). Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid (Vol. 493, pp. 97–100).

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Jang, S., Purohit, Y., Irving, D. L., Padgett, C., Brenner, D., & Scattergood, R. O. (2008). Influence of Pb segregation on the deformation of nanocrystalline Al: Insights from molecular simulations. Acta Materialia, 56(17), 4750–4761. https://doi.org/10.1016/j.actamat.2008.05.024

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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.

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Jang, S., Purohit, Y., Irving, D., Padgett, C., Brenner, D., & Scattergood, R. O. (2008). Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys (Vol. 493, pp. 53–57).

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Purohit, Y., Irving, D. L., Scattergood, R. O., & Brenner, D. W. (2008). Prediction of Energies of <100> Tilt Boundaries in Al-Pb Alloy. Materials Research Society Symposium Proceedings, 1056E, 1056–HH01–105610.

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Rezvanian, O., Brown, C., Zikry, M. A., Kingon, A. I., Krim, J., Irving, D. L., & Brenner, D. W. (2008). The role of creep in the time-dependent resistance of Ohmic gold contacts in radio frequency microelectromechanical system devices. Journal of Applied Physics, 104(2).

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Irving, D. L., Devine, B. D., & Sinnott, S. B. (2007). Calculated Optical Absorption and Emissions from Poly p-Phenylene Oligomers. Journal of Luminescence, 126, 278.

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Brenner, D. W., Irving, D. L., Kingon, A. I., & Krim, J. (2007). Multiscale analysis of liquid lubrication trends from industrial machines to micro-electrical-mechanical systems. Langmuir, 23(18), 9253–9257. https://doi.org/10.1021/la701280k

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Irving, D. L., & Brenner, D. W. (2006). Diffusion on a self-assembled monolayer: Molecular modeling of a bound plus mobile lubricant. Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 110(31), 15426–15431. https://doi.org/10.1021/jp0609840

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Irving, D. L., Sinnott, S. B., & Wood, R. F. (2006). Relative stabilities of Ag multilayers on GaAs and GaSb determined from ab initio calculations. Physical Review. B, Condensed Matter and Materials Physics, 74, 195403.

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Abdelmaksoud, M., Lee, S. M., Padgett, C. W., Irving, D. L., Brenner, D. W., & Krim, J. (2006). STM, QCM, and the windshield wiper effect: A joint theoretical-experimental study of adsorbate mobility and lubrication at high sliding rates. Langmuir, 22(23), 9606–9609. https://doi.org/10.1021/la061797w

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