Douglas Irving

Wu, Y., Mirrielees, K. J., & Irving, D. L. (2022). Defect Chemistry of Halogen Dopants in ZnSe. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 13(35), 8380–8385. https://doi.org/10.1021/acs.jpclett.2c01976

Baker, J. N., & Irving, D. L. (2022, January 7). Inverse Materials Design of Doping Strategies with AI, Thermodynamics, and Density Functional Theory. JOM. https://doi.org/10.1007/s11837-021-05087-x

Wu, Y., Mirrielees, K. J., & Irving, D. L. (2022). On native point defects in ZnSe. APPLIED PHYSICS LETTERS, 120(23). https://doi.org/10.1063/5.0092736

Al-Tawhid, A. H., Kanter, J., Hatefipour, M., Irving, D. L., Kumah, D. P., Shabani, J., & Ahadi, K. (2022, September 24). Oxygen Vacancy-Induced Anomalous Hall Effect in a Nominally Non-magnetic Oxide. JOURNAL OF ELECTRONIC MATERIALS, Vol. 9. https://doi.org/10.1007/s11664-022-09941-9

Mirrielees, K. J., Baker, J. N., Bowes, P. C., & Irving, D. L. (2021). Computational approaches to point defect simulations for semiconductor solid solution alloys. JOURNAL OF CHEMICAL PHYSICS, 154(9). https://doi.org/10.1063/5.0041127

Ryu, G. H., Bowes, P. C., McGarrahan, J. R., Irving, D. L., & Dickey, E. C. (2021, July 28). Fermi level pinning in Co-doped BaTiO3: Part I. DC and AC electrical conductivities and degradation behavior. JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Vol. 105. https://doi.org/10.1111/jace.18042

Bowes, P. C., Ryu, G. H., Baker, J. N., Dickey, E. C., & Irving, D. L. (2021, July 29). Fermi level pinning in Co-doped BaTiO3: Part II. Defect chemistry models. JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Vol. 7. https://doi.org/10.1111/jace.17938

Bowes, P. C., Wu, Y., Baker, J. N., & Irving, D. L. (2021). Modeling the spatial control over point defect spin states via processing variables. JOURNAL OF APPLIED PHYSICS, 129(22). https://doi.org/10.1063/5.0039972

Mirrielees, K. J., Dycus, J. H., Baker, J. N., Reddy, P., Collazo, R., Sitar, Z., … Irving, D. L. (2021). Native oxide reconstructions on AlN and GaN (0001) surfaces. JOURNAL OF APPLIED PHYSICS, 129(19). https://doi.org/10.1063/5.0048820

Wu, Y., Bowes, P. C., Baker, J. N., & Irving, D. L. (2021). Photochromism of UV-annealed Fe-doped SrTiO3. APPLIED PHYSICS LETTERS, 119(26). https://doi.org/10.1063/5.0068523

Wu, Y., & Irving, D. L. (2021). Prediction of chemical ordering in refractory high-entropy superalloys. APPLIED PHYSICS LETTERS, 119(11). https://doi.org/10.1063/5.0059453

Washiyama, S., Mirrielees, K. J., Bagheri, P., Baker, J. N., Kim, J.-H., Guo, Q., … Sitar, Z. (2021). Self-compensation in heavily Ge doped AlGaN: A comparison to Si doping. APPLIED PHYSICS LETTERS, 118(4). https://doi.org/10.1063/5.0035957

Baker, J. N., Bowes, P. C., Harris, J. S., Collazo, R., Sitar, Z., & Irving, D. L. (2020). Complexes and compensation in degenerately donor doped GaN. APPLIED PHYSICS LETTERS, 117(10). https://doi.org/10.1063/5.0013988

Li, X., Li, W., Irving, D. L., Varga, L. K., Vitos, L., & Schonecker, S. (2020). Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys. ACTA MATERIALIA, 189, 174–187. https://doi.org/10.1016/j.actamat.2020.03.004

Wu, Y., Bowes, P. C., Baker, J. N., & Irving, D. L. (2020). Influence of space charge on the conductivity of nanocrystalline SrTiO3. JOURNAL OF APPLIED PHYSICS, 128(1). https://doi.org/10.1063/5.0008020

Bowes, P. C., Baker, J. N., & Irving, D. L. (2020). Site preference of Y and Mn in nonstoichiometric BaTiO3 from first principles. PHYSICAL REVIEW MATERIALS, 4(8). https://doi.org/10.1103/PhysRevMaterials.4.084601

Bowes, P. C., Baker, J. N., & Irving, D. L. (2020). Survey of acceptor dopants in SrTiO3: Factors limiting room temperature hole concentration. JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 103(2), 1156–1173. https://doi.org/10.1111/jace.16784

Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2019). An informatics software stack for point defect-derived opto-electronic properties: the Asphalt Project. MRS COMMUNICATIONS, 9(3), 839–845. https://doi.org/10.1557/mrc.2019.106

Wu, Y., & Irving, D. L. (2019). Finite temperature elastic properties of equiatomic CoCrFeNi from first principles. SCRIPTA MATERIALIA, 162, 176–180. https://doi.org/10.1016/j.scriptamat.2018.11.010

Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2019, January 7). Mechanisms governing metal vacancy formation in BaTiO3 and SrTiO3 (vol 124, 114101, 2018). JOURNAL OF APPLIED PHYSICS, Vol. 125. https://doi.org/10.1063/1.5084251

Harris, J. S., Gaddy, B. E., Collazo, R., Sitar, Z., & Irving, D. L. (2019). Oxygen and silicon point defects in Al0.65Ga0.35N. PHYSICAL REVIEW MATERIALS, 3(5). https://doi.org/10.1103/PhysRevMaterials.3.054604

Bowes, P. C., Wu, Y., Baker, J. N., Harris, J. S., & Irving, D. L. (2019). Space charge control of point defect spin states in AlN. APPLIED PHYSICS LETTERS, 115(5). https://doi.org/10.1063/1.5099916

Long, D. M., Cai, B., Baker, J. N., Bowes, P. C., Bayer, T. J. M., Wang, J. J., … Dickey, E. C. (2018). Conductivity of iron‐doped strontium titanate in the quenched and degraded states. Journal of the American Ceramic Society, 102(6), 3567–3577. https://doi.org/10.1111/jace.16212

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). https://doi.org/10.1063/1.5011984

Li, X., Irving, D. L., & Vitos, L. (2018). First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys. Scientific Reports, 8(1). https://doi.org/10.1038/S41598-018-29588-Z

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

Eldred, T. B., Harris, J. S., Baker, J. N., Irving, D. L., & LeBeau, J. M. (2018). Imaging of Single Vacancies and Dopant Complexes in Aluminum Nitride. Microscopy and Microanalysis, 24(S1), 22–23. https://doi.org/10.1017/S1431927618000600

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). https://doi.org/10.1063/1.5000363

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

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). https://doi.org/10.1063/1.5022794

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). https://doi.org/10.1103/physrevapplied.9.054036

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. https://doi.org/10.1021/acsami.8b00845

Li, X., 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). https://doi.org/10.1103/physrevb.97.094102

Tian, L.-Y., Wang, G., Harris, J. S., Irving, D. L., Zhao, J., & Vitos, L. (2017). Alloying effect on the elastic properties of refractory high-entropy alloys. MATERIALS & DESIGN, 114, 243–252. https://doi.org/10.1016/j.matdes.2016.11.079

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), 122903. https://doi.org/10.1063/1.4978861

Dycus, J. H., Mirrielees, K. J., Grimley, E. D., Dhall, R., Kirste, R., Mita, S., … LeBeau, J. M. (2017). Structure and Chemistry of Oxide Surface Reconstructions in III-Nitrides Observed using STEM EELS. Microscopy and Microanalysis, 23(S1), 1444–1445. https://doi.org/10.1017/S1431927617007887

Xu, W., Bowes, P. C., Grimley, E. D., Irving, D. L., & LeBeau, J. M. (2017). Utilizing High-temperature Atomic-resolution STEM and EELS to Determine Reconstructed Surface Structure of Complex Oxide. Microscopy and Microanalysis, 23(S1), 1596–1597. https://doi.org/10.1017/S1431927617008649

Wang, J.-J., Huang, H.-B., Bayer, T. J. M., Moballegh, A., Cao, Y., Klein, A., … al. (2016). Defect chemistry and resistance degradation in Fe-doped SrTiO3 single crystal. Acta Materialia, 108, 229–240. https://doi.org/10.1016/j.actamat.2016.02.022

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. https://doi.org/10.1016/j.jallcom.2016.02.108

Xu, W., 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). https://doi.org/10.1063/1.4967978

LeBeau, J., Sang, X., Dycus, J. H., Nui, C., & Irving, D. (2016). Probing the subtleties of atomic distortions through accurate STEM imaging and density functional theory. Microscopy and Microanalysis, 22(S3), 1400–1401. https://doi.org/10.1017/S1431927616007844

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. https://doi.org/10.1016/j.intermet.2015.09.009

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. https://doi.org/10.1016/j.actamat.2016.07.024

Youssef, K. M., Zaddach, A. J., Niu, C., 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. https://doi.org/10.1080/21663831.2014.985855

Dycus, J. H., Harris, J. S., Sang, X., 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

Sang, X., Grimley, E. D., Niu, C., Irving, D. L., & LeBeau, J. M. (2015). Direct observation of charge mediated lattice distortions in complex oxide solid solutions. APPLIED PHYSICS LETTERS, 106(6). https://doi.org/10.1063/1.4908124

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. https://doi.org/10.1038/nmat4203

Dycus, J. H., Harris, J. S., Sang, X., Fancher, C. M., Findlay, S. D., Oni, A. A., … LeBeau, J. M. (2015). Highly Accurate Real Space Nanometrology Using Revolving Scanning Transmission Electron Microscopy. Microscopy and Microanalysis, 21(S3), 2245–2246. https://doi.org/10.1017/S1431927615012003

Lu, S., 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. The Journal of Physical Chemistry C, 119(25), 150610143303004. https://doi.org/10.1021/ACS.JPCC.5B03317

Sang, X., Grimley, E. D., Niu, C., Irving, D. L., & LeBeau, J. M. (2015). Revealing Unit Cell Level Distortions in Random Oxide Solid Solutions by Scanning Transmission Electron Microscopy and the Projected Pair Distribution Function. Microscopy and Microanalysis, 21(S3), 1239–1240. https://doi.org/10.1017/S1431927615006984

Niu, C., Zaddach, A. J., Oni, A. A., Sang, X., Hurt, J. W., III, LeBeau, J. M., … Irving, D. L. (2015). Spin-driven ordering of Cr in the equiatomic high entropy alloy NiFeCrCo. APPLIED PHYSICS LETTERS, 106(16). https://doi.org/10.1063/1.4918996

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). https://doi.org/10.1063/1.4903058

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, 90(12). https://doi.org/10.1103/physrevb.90.125403

Sang, X., Grimley, E. D., Niu, C., Irving, D. L., & LeBeau, J. M. (2014). Putting a New Spin on Scanning Transmission Electron Microscopy. Microscopy and Microanalysis, 20(S3), 140–141. https://doi.org/10.1017/S1431927614002426

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). https://doi.org/10.1063/1.4861172

Gaddy, B. E., Bryan, Z., Bryan, I., Xie, J., 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). https://doi.org/10.1063/1.4878657

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). https://doi.org/10.1063/1.4804954

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). https://doi.org/10.1088/0953-8984/25/47/472202

Zaddach, A. J., Niu, C., Koch, C. C., & Irving, D. L. (2013). Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy. JOM, 65(12), 1780–1789. https://doi.org/10.1007/S11837-013-0771-4

Gaddy, B. E., Bryan, Z., Bryan, I., Kirste, R., Xie, J., Dalmau, R., … Irving, D. L. (2013). Vacancy compensation and related donor-acceptor pair recombination in bulk AlN. APPLIED PHYSICS LETTERS, 103(16). https://doi.org/10.1063/1.4824731

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), 035007. https://doi.org/10.1088/0965-0393/20/3/035007

Collazo, R., Xie, J., 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). https://doi.org/10.1063/1.4717623

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. https://doi.org/10.1038/ncomms1470

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), 034001. https://doi.org/10.1088/0965-0393/18/3/034001

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 AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 527(7-8), 1769–1775. https://doi.org/10.1016/j.msea.2009.11.034

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.

Irving, D. L. (2010). Understanding Metal/Metal Electrical Contact Conductance from the Atomic to Continuum Scales. https://doi.org/10.1002/9780470890905.ch4

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).

Sun, L., 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

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).

Irving, D. L., Padgett, C. W., Guo, Y., Mintmire, J. W., & Brenner, D. W. (2009, January). Multiscale Modeling of Metal-Metal Contact Dynamics Under High Electromagnetic Stress: Timescales and Mechanisms for Joule Melting of Al-Cu Asperities. IEEE TRANSACTIONS ON MAGNETICS, Vol. 45, pp. 331–335. https://doi.org/10.1109/tmag.2008.2008544

Purohit, Y., Jang, S., Irving, D. L., Padgett, C. W., Scattergood, R. O., & Brenner, D. W. (2008, October 15). Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 97–100. https://doi.org/10.1016/j.msea.2007.05.128

Irving, D. L., Padgett, C. W., & Brenner, D. W. (2008). 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), 015004. https://doi.org/10.1088/0965-0393/17/1/015004

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

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.

Jang, S., Purohit, Y., Irving, D., Padgett, C., Brenner, D., & Scattergood, R. O. (2008, October 15). Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 53–57. https://doi.org/10.1016/j.msea.2007.05.130

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.

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), 024513. https://doi.org/10.1063/1.2953072

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.

Irving, D. L., Devine, B. D., & Sinnott, S. B. (2007). Computational study of steric effects on the optical properties of oligomers. Journal of Luminescence, 126(2), 278–288. https://doi.org/10.1016/j.jlumin.2006.07.006

Brenner, D. W., Irving, D. L., Kingon, A. I., Krim, J., & Padgett, C. W. (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

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, 110(31), 15426–15431. https://doi.org/10.1021/jp0609840

Hu, Y., Irving, D. L., & Sinnott, S. B. (2006). Ion deposition induced modification of carbon nanopeapods: A computational study. Chemical Physics Letters, 422(1-3), 137–141. https://doi.org/10.1016/j.cplett.2006.02.049

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. https://doi.org/10.1103/physrevb.74.195403

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

Irving, D. L., Sinnott, S. B., & Lindner, A. S. (2004). Interaction of functionalized benzene molecules with carbon nanopores. Chemical Physics Letters, 389(1-3), 96–100. https://doi.org/10.1016/j.cplett.2004.03.073

Alden, D., Bryan, Z., Gaddy, B. E., Bryan, I., Callsen, G., Koukitu, A., … Collazo, R. On the origin of the 4.7 eV absorption and 2.8 eV emission bands in bulk AlN substrates. Wide bandgap semiconductor materials and devices 17, 72(5), 31–40.