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Strengthening mechanisms in nanocrystalline alloys. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 3–11. https://doi.org/10.1016/j.msea.2007.04.132 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 Hu, Y. H., Shenderova, O. A., & Brenner, D. W. (2007). [Review of Carbon nanostructures: Morphologies and properties]. Journal of Computational and Theoretical Nanoscience, 4(2), 199–221. https://doi.org/10.1166/jctn.2007.2307 Ma, J. B., Zikry, M. A., Ashamwi, W. M., & Brenner, D. W. (2007). Hierarchical modeling of nanoindentation and microstructural evolution of face-centered cubic gold aggregates. JOURNAL OF MATERIALS RESEARCH, 22(3), 627–643. https://doi.org/10.1557/JMR.2007.0076 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 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 Shi, Y., & Brenner, D. W. (2007). Simulated thermal decomposition and detonation of nitrogen cubane by molecular dynamics. The Journal of Chemical Physics, 127(13), 134503. https://doi.org/10.1063/1.2779877 Puzyr, A. P., Purtov, K. V., Shenderova, O. A., Luo, M., Brenner, D. W., & Bondar, V. S. (2007). The adsorption of aflatoxin B1 by detonation-synthesis nanodiamonds. DOKLADY BIOCHEMISTRY AND BIOPHYSICS, 417(1), 299–301. https://doi.org/10.1134/S1607672907060026 Adiga, S. P., & Brenner, D. W. (2007). Toward designing smart nanovalves: Modeling of flow control through nanopores via the helix-coil transition of grafted polypeptide chains. MACROMOLECULES, 40(4), 1342–1348. https://doi.org/10.1021/ma0617522 Hu, Y., Shenderova, O. A., Hu, Z., Padgett, C. W., & Brenner, D. W. (2006). [Review of Carbon nanostructures for advanced composites]. REPORTS ON PROGRESS IN PHYSICS, 69(6), 1847–1895. https://doi.org/10.1088/0034-4885/69/6/R05 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 Li, Y., & Brenner, D. W. (2006). Influence of trace precursors on mass transport and growth rate during sublimation deposition of AlN crystal. Journal of Applied Physics, 100(8), 084901. https://doi.org/10.1063/1.2357423 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 Padgett, C. W., Shenderova, O., & Brenner, D. W. (2006). Thermal conductivity of diamond nanorods: Molecular simulation and scaling relations. NANO LETTERS, 6(8), 1827–1831. https://doi.org/10.1021/nl060588t Padgett, C. W., & Brenner, D. W. (2005). A continuum-atomistic method for incorporating Joule heating into classical molecular dynamics simulations. MOLECULAR SIMULATION, 31(11), 749–757. https://doi.org/10.1080/08927020500262614 Li, Y. X., Brenner, D. W., Dong, X., & Sun, C. C. (2006). Ab initio study of the role of entropy in the kinetics of acetylene production in filament-assisted diamond growth environments. JOURNAL OF PHYSICAL CHEMISTRY A, 110(1), 132–140. https://doi.org/10.1021/jp054914p Schall, J. D., Padgett, C. W., & Brenner, D. W. (2005). Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations. MOLECULAR SIMULATION, 31(4), 283–288. https://doi.org/10.1080/08927020512331336898 Shenderova, O. A., Padgett, C. W., Hu, Z., & Brenner, D. W. (2005). Diamond nanorods. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 23(6), 2457–2464. https://doi.org/10.1116/1.2122907 Adiga, S. P., & Brenner, D. W. (2005). Flow Control through Polymer-Grafted Smart Nanofluidic Channels:  Molecular Dynamics Simulations. Nano Letters, 5(12), 2509–2514. https://doi.org/10.1021/nl051843x Areshkin, D. A., Shenderova, O. A., Schall, J. D., & Brenner, D. W. (2005). Self-consistent tight binding model adapted for hydrocarbon systems. MOLECULAR SIMULATION, 31(8), 585–595. https://doi.org/10.1080/08927020500044988 Areshkin, D. A., Shenderova, O. A., Schall, J. D., Adiga, S. P., & Brenner, D. W. (2004). A self-consistent tight binding model for hydrocarbon systems: application to quantum transport simulation. JOURNAL OF PHYSICS-CONDENSED MATTER, 16(39), 6851–6866. https://doi.org/10.1088/0953-8984/16/39/018 Schall, J. D., & Brenner, D. W. (2004). Atomistic simulation of the influence of pre-existing stress on the interpretation of nanoindentation data. JOURNAL OF MATERIALS RESEARCH, 19(11), 3172–3180. https://doi.org/10.1557/JMR.2004.0410 Zhirnov, VV, Shenderova, O. A., Jaeger, D. L., Tyler, T., Areshkin, D. A., Brenner, D. W., & Hren, J. J. (2004). Electron emission properties of detonation nanodiamonds. PHYSICS OF THE SOLID STATE, 46(4), 657–661. https://doi.org/10.1134/1.1711444 Areshkin, D. A., Shenderova, O. A., Adiga, S. P., & Brenner, D. W. (2004). Electronic properties of diamond clusters: self-consistent tight binding simulation. DIAMOND AND RELATED MATERIALS, 13(10), 1826–1833. https://doi.org/10.1016/j.diamond.2004.04.012 Li, Y. X., & Brenner, D. W. (2004). First principles prediction of the gas-phase precursors for AlN sublimation growth. PHYSICAL REVIEW LETTERS, 92(7). https://doi.org/10.1103/physrevlett.92.075503 Padgett, C. W., & Brenner, D. W. (2004). Influence of chemisorption on the thermal conductivity of single-wall carbon nanotubes. NANO LETTERS, 4(6), 1051–1053. https://doi.org/10.1021/nl049645d Brenner, D. W., Schlesser, R., Sitar, Z., Dalmau, R., Collazo, R., & Li, Y. (2004). Model for the influence of boron impurities on the morphology of AIN grown by physical vapor transport. SURFACE SCIENCE, 560(1-3), L202–L206. https://doi.org/10.1016/j.susc.2004.05.003 Nazarov, A. A., Shenderova, O. A., & Brenner, D. W. (2004). The atomic computer simulation of triple junctions of special tilt boundaries in nickel. Physics of Metals and Metallography, 98(4), 339–343. Shenderova, O. A., Areshkin, D., & Brenner, D. W. (2003). Bonding and stability of hybrid diamond/nanotube structures. MOLECULAR SIMULATION, 29(4), 259–268. https://doi.org/10.1080/0892702021000049691 Areshkin, D. A., Shenderova, O. A., Schall, J. D., & Brenner, D. W. (2003). Convergence acceleration scheme for self-consistent orthogonal-basis-set electronic structure methods. MOLECULAR SIMULATION, 29(4), 269–286. https://doi.org/10.1080/0892702031000092197 Bachurin, D. V., Nazarov, A. A., Shenderova, O. A., & Brenner, D. W. (2003). Diffusion-accomodated rigid-body translations along grain boundaries in nanostructured materials. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 359(1-2), 247–252. https://doi.org/10.1016/s0921-5093(03)00354-x Nazarov, A. A., Bachurin, D. V., Shenderova, O. A., & Brenner, D. W. (2003). On the origin and energy of triple junction defects due to the finite length of grain boundaries. INTERFACE SCIENCE, 11(4), 417–424. https://doi.org/10.1023/A:1026143927269 Frankland, S. J. V., Harik, V. M., Odegard, G. M., Brenner, D. W., & Gates, T. S. (2003). The stress-strain behavior of polymer-nanotube composites from molecular dynamics simulation. COMPOSITES SCIENCE AND TECHNOLOGY, 63(11), 1655–1661. https://doi.org/10.1016/S0266-3538(03)00059-9 Shenderova, O., Brenner, D., & Ruoff, R. S. (2003). Would diamond nanorods be stronger than fullerene nanotubes? NANO LETTERS, 3(6), 805–809. https://doi.org/10.1021/nl025949t Brenner, D. W., Shenderova, O. A., Harrison, J. A., Stuart, S. J., Ni, B., & Sinnott, S. B. (2002). A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons. JOURNAL OF PHYSICS-CONDENSED MATTER, 14(4), 783–802. https://doi.org/10.1088/0953-8984/14/4/312 Brenner, D. W., Shenderova, O. A., Areshkin, D. A., Schall, J. 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CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 27(3-4), 227–356. https://doi.org/10.1080/10408430208500497 Bernholc, J., Brenner, D., Nardelli, M. B., Meunier, V., & Roland, C. (2002). [Review of Mechanical and electrical properties of nanotubes]. ANNUAL REVIEW OF MATERIALS RESEARCH, 32(2002), 347-+. https://doi.org/10.1146/annurev.matsci.32.112601.134925 Frankland, S. J. V., Caglar, A., Brenner, D. W., & Griebel, M. (2002, March 28). Molecular simulation of the influence of chemical cross-links on the shear strength of carbon nanotube-polymer interfaces. https://doi.org/10.1021/jp015591+ Adiga, S. P., & Brenner, D. W. (2002). Virtual molecular design of an environment-responsive nanoporous system. NANO LETTERS, 2(6), 567–572. https://doi.org/10.1021/nl025527j Frankland, S. J. V., & Brenner, D. W. (2001). Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation. CHEMICAL PHYSICS LETTERS, 334(1-3), 18–23. https://doi.org/10.1016/s0009-2614(00)01454-8 Shenderova, O. A., Lawson, B. L., Areshkin, D., & Brenner, D. W. (2001, September). Predicted structure and electronic properties of individual carbon nanocones and nanostructures assembled from nanocones. NANOTECHNOLOGY, Vol. 12, pp. 191–197. https://doi.org/10.1088/0957-4484/12/3/302 Shenderova, O. A., Brenner, D. W., Omeltchenko, A., Su, X., & Yang, L. H. (2000). Atomistic modeling of the fracture of polycrystalline diamond. PHYSICAL REVIEW B, 61(6), 3877–3888. https://doi.org/10.1103/physrevb.61.3877 Nazarov, A. A., Shenderova, O. A., & Brenner, D. W. (2000). Elastic models of symmetrical < 002 > and < 011 > tilt grain boundaries in diamond. PHYSICAL REVIEW B, 61(2), 928–936. https://doi.org/10.1103/physrevb.61.928 Li, Y. X., Brenner, D. W., Dong, X. L., & Sun, C. C. (2000). First principles prediction of gas-phase composition and substrate temperature for diamond film growth. MOLECULAR SIMULATION, Vol. 25, pp. 41–51. https://doi.org/10.1080/08927020008044111 Schall, J. D., & Brenner, D. W. (2000). Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite. MOLECULAR SIMULATION, Vol. 25, pp. 73–79. https://doi.org/10.1080/08927020008044113 Shenderova, O., Mewkill, J., & Brenner, D. W. (2000). Nanoindentation as a probe of nanoscale residual stresses: Atomistic simulation results. MOLECULAR SIMULATION, Vol. 25, pp. 81-+. https://doi.org/10.1080/08927020008044114 Tragler, A., Srinivasan, L., Shenderova, O., McClauren, M., & Brenner, D. W. (2000). Novel simulation tools for materials engineering education. MOLECULAR SIMULATION, Vol. 25, pp. 121–130. https://doi.org/10.1080/08927020008044116 Nazarov, A. A., Shenderova, O. A., & Brenner, D. W. (2000). On the disclination-structural unit model of grain boundaries. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 281(1-2), 148–155. https://doi.org/10.1016/s0921-5093(99)00727-3 Shenderova, O. A., Brenner, D. W., Omeltchenko, A., Su, X., Yang, L. H., & Nazarov, A. (2000). Properties of polycrystalline diamond: Multiscale modeling approach. MOLECULAR SIMULATION, Vol. 24, pp. 197–207. https://doi.org/10.1080/08927020008024196 Brenner, D. W. (2000). The art and science of an analytic potential. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 217(1), 23–40. https://doi.org/10.1002/(sici)1521-3951(200001)217:1<23::aid-pssb23>3.0.co;2-n Shenderova, O. A., & Brenner, D. W. (1999). Atomistic simulations of structures and mechanical properties of < 011 > tilt grain boundaries and their triple junctions in diamond. PHYSICAL REVIEW B, 60(10), 7053–7061. https://doi.org/10.1103/physrevb.60.7053 Shenderova, O. A., Brenner, D. W., & Yang, L. H. (1999). Atomistic simulations of structures and mechanical properties of polycrystalline diamond: Symmetrical < 001 > tilt grain boundaries. PHYSICAL REVIEW B, 60(10), 7043–7052. https://doi.org/10.1103/physrevb.60.7043 Sinnott, S. B., Shenderova, O. A., White, C. T., & Brenner, D. W. (1999). Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations (vol 36, pg 1, 1998). Carbon, 37(2), 347. Srivastava, D., Brenner, D. W., Schall, J. D., Ausman, K. D., Yu, M. F., & Ruoff, R. S. (1999). Predictions of enhanced chemical reactivity at regions of local conformational strain on carbon nanotubes: Kinky chemistry. JOURNAL OF PHYSICAL CHEMISTRY B, 103(21), 4330–4337. https://doi.org/10.1021/jp990882s Sinnott, S. B., Shenderova, O. A., White, C. T., & Brenner, D. W. (1998). Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations. CARBON, 36(1-2), 1–9. https://doi.org/10.1016/s0008-6223(97)00144-9 Shenderova, O. A., Brenner, D. W., Nazarov, A. A., Romanov, A. E., & Yang, L. H. (1998). Multiscale modeling approach for calculating grain-boundary energies from first principles. PHYSICAL REVIEW B, 57(6), R3181–R3184. https://doi.org/10.1103/physrevb.57.r3181 Brenner, D. W., Schall, J. D., Mewkill, J. P., Shenderova, O. A., & Sinnott, S. B. (1998). Virtual design and analysis of nanometer-scale sensor and device components. Journal of the British Interplanetary Society, 51(1998), 137–144. Sinnott, S. B., Colton, R. J., White, C. T., Shenderova, O. A., Brenner, D. W., & Harrison, J. A. (1997). Atomistic simulations of the nanometer-scale indentation of amorphous-carbon thin films. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, Vol. 15, pp. 936–940. https://doi.org/10.1116/1.580782