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Selected Publications

  • J. A. Harrison, M. Fallet, K. E. Ryan, B. L. Mooney, M. T. Knippenberg, and J. D. Schall, "Recent Developments and Simulations utilizing Bond-Order Potentials", Modelling Simul. Mater. Sci. Eng., 23 (2015) 074003.
  • V. Vahdat, K. E. Ryan, P. L. Keating, Y. Jiang, S. P. Adiga, J. D. Schall, K. T. Turner, J. A. Harrison, R.W. Carpick, “Experimental and Molecular Dynamics Study of Atomic-Scale Wear of Amorphous Hydrogenated Carbon in Amplitude Modulation AFM”, ACS Nano, 8 (2014) 7027-7040.
  • T. D. B. Jacobs, K. E. Ryan, P. L. Keating, D. S. Grierson, J. A. Lefever, K. T. Turner, J. A. Harrison, and R.W. Carpick, “The Effect of Atomic-Scale Roughness on the Adhesion of Nanoscale Asperities: A Combined Simulation and Experimental Investigation”, Tribol. Lett., 50 (2013) 81-93.
  • K. E. Ryan, P. L. Keating, T. D. B. Jacobs,  D. S. Grierson, K. T. Turner, R. W. Carpick, and J. A. Harrison, “Simulated adhesion between realistic hydrocarbon materials: Effects of composition, roughness, and contact point”, Langmuir, 30 (2014) 2028-2037.
  • J. D. Schall and  J. A. Harrison, “Extension of REBO-type potentials to three-atom systems: Application to Si-C-H containing systems”, J. Phys. Chem. C, 117 (2013) 1323-1334. 
  • M. T. Knippenberg, P. T. Mikulski, K. E. Ryan, S. J. Stuart, G. Gao, and J. A. Harrison, “Bond-Order Potentials with Split-Charge Equilibration: Application to C-, H-, and O-Containing Systems”, J. Chem. Phys., 136 (2012) 164701.
  • P. T. Mikulski, K. Van Workum, G. M. Chateauneuf, G. Gao, J. D. Schall, and J. A. Harrison, “The Effects of Interface Structure and Polymerization on the Friction of Model Self-Assembled Monolayers”, Tribol. Lett., 42 (2011) 37-49.
  • P. L. Piotrowski, R. J. Cannara, G. Gao, J. J. Urban, R. W. Carpick, and J. A. Harrison, “Atomistic Factors Governing Adhesion between Diamond, Amorphous Carbon, and Model Diamond Nanocomposite Surfaces”, J. Adhesion Sci. & Technol., 24 (2010) 2471.
  • M. T. Knippenberg, P. T. Mikulski, and J. A. Harrison, “Effects of Tip Geometry on Interfacial Contact Forces”, Modelling & Simulation in Materials Science & Engineering. 18 (2010) 034002. PDF Version 
  • J. David Schall, Guangtu Gao, and Judith A. Harrison, “The Effects of Adhesion and Transfer Film Formation on the Tribology of Self-Mated DLC Contacts”, Barbara Garrison Festschrift issue of J. Phys. Chem. C, . 114 (2010) 5321. PDF Version 
  • P. T. Mikulski, M. T. Knippenberg, and J. A. Harrison, “Merging bond-order potentials with charge equilibration,” J. Chem. Phys. 131 (2009) 241105. PDF Version 
  • J. D. Pearson, G. Gao, M. Zikry, J. A. Harrison, “Nanoindentation of Model Diamond Nanocomposites: Hierarchical Molecular Dynamics and Finite-Element Simulations”, Comp. Mat. Sci. 47 (2009) 1.
  • M. T. Knippenberg, P. T. Mikulski, B. I Dunlap, and J. A. Harrison, “Atomic Contributions to Friction and Load for Tip-SAMs Interactions”, Phys. Rev. B 78 (2008) 235409. PDF Version 
  • J. A. Harrison, J. D. Schall, M. T. Knippenberg, G. Gao, and P. T. Mikulski, “Elucidating Atomic-Scale Friction using MD and Specialized Analysis Techniques”, Special issue of J. Phys.: Condens. Matt. 20 (2008) 354009. PDF Version 
  • M. Brukman, G. Gao, R. Nemanich, and J. A. Harrison, “Temperature Dependence of Single-Asperity Diamond-Diamond Friction Elucidated Using AFM and MD Simulations”, J. Phys. Chem. C, 112 (2008) 9358-9369. PDF Version   
  • J. A. Harrison, G. Gao, J. D. Schall, M. T. Knippenberg, and P. T. Mikulski, “Friction between Solids”, Philosophical Transactions, Series A, 366 (2008) 1469-1495. PDF Version
  • J. D. Schall, G. Gao, and J. A. Harrison "Elastic constants of silicon materials calculated from a new parameterization of the second-generation REBO potential", Phys. Rev. B, 77 (2008) 115209. PDF Version 
  • J. David Schall, P. T. Mikulski, G. M. Chateauneuf, G. Gao, and J. A. Harrison, “Molecular Dynamics Simulations of Tribology”, in Superlubricity, eds., A. Erdemir & J.-M. Martin (Elsevier, Amsterdam, The Netherlands, 2007) pp. 79-102.  
  • G. Gao, R. Cannara, R. W. Carpick, and J. A. Harrison, “Atomic-Scale Friction on Diamond: A Comparison of Different Sliding Directions and Surface Orientations Using MD and AFM”, Langmuir, 23 (2007) 5394-5405. PDF Version 
  • K. Van Workum, G. Gao, J. D. Schall & J. A. Harrison, "Expressions for Stress & Elasticity Tensors for Angle-Dependent Potentials", J. Chem. Phys., 125 (2006) 144506. PDF Version
  • G. Gao, K. Van Workum, J. D. Schall, and J. A. Harrison, “Elastic Constants of Diamond from Molecular Dynamics Simulations”, J. Phys.: Condens. Matter, 18, (2006) S1737-S1750. PDF Version
  • P. T. Mikulski, L. A. Herman & J. A. Harrison, "Odd and Even Model Self-Assembled Monolayers: Links between Friction and Structure", Langmuir, 21 (2005) 12197. PDF Version
  • P. T. Mikulski, G. Gao, G. M. Chateauneuf, & J. A. Harrison, "Contact Forces at the Sliding Interface: Mixed versus Pure Model Alkane Monolayers", J. Chem. Phys., 122 (2005) 024701. PDF Version
  • G. M. Chateauneuf, P. T. Mikulski, G. Gao, & J. A. Harrison, "Compression- and Shear-Induced Polymerization in Model Diacetylene-containing Monolayers”, J. Phys. Chem. B, 108 (2004) 16626-16635. PDF Version
  • G. T. Gao, P. T. Mikulski, G. M. Chateauneuf, & J. A. Harrison, "The Effects of Film Structure and Surface Hydrogen on the Properties of Amorphous Carbon Films", J. Phys. Chem. B, 107 (2003) 11082. PDF Version
  • G. T. Gao, P. T. Mikulski, & J. A. Harrison, "Molecular-Scale Tribology of Amorphous Carbon Coatings: Effects of Film Thickness, Adhesion, and Long-Range Interactions", J. Am. Chem. Soc., 124 (2002) 7202. PDF Version
  • B. Ni, S. B. Sinnott, P. T. Mikulski, & J. A. Harrison, "Compression of Carbon Nanotubes Filled with C60, CH4, or Ne: Predictions from Molecular Dynamics Simulations", Phys. Rev. Lett., 88 (2002) 205505-1. PDF Version
  • P. T. Mikulski & J. A. Harrison, "Packing-Density Effects on the Friction of n-Alkane Monolayers", J. Am. Chem. Soc., 123 (2001) 6873. PDF Version
  • P. T. Mikulski & J. A. Harrison, "Periodicities in the Properties Associated with the Friction of Model Self-Assembled Monolayers", Tribol. Lett., 10 (2001) 29. PDF Version
  • A. B. Tutein, S. J. Stuart, & J. A. Harrison, "Role of Defects in Compression and Friction of Anchored Hydrocarbon Chains on Diamond", Langmuir, 16 (2000) 291. PDF Version
  • S. J. Stuart, A. B. Tutein, & J. A. Harrison, "A Reactive Potential for Hydrocarbons with Intermolecular Interactions", J. Chem. Phys., 112 (2000) 6472. PDF Version
  • A. B. Tutein, S. J. Stuart, & J. A. Harrison, "Indentation Analysis of Linear-Chain Hydrocarbon Monolayers Anchored to Diamond", J. Phys. Chem. B.,103 (1999) 11357. PDF Version
  • Handbook of Micro/NanoTribology, ed. B. Bhushan, CRC Press (1999), Atomic-Scale Simulations of Tribological and Related Phenomena, by J. A. Harrison, S.J. Stuart, & D. W. Brenner, pp. 525-594.
  • J. A. Harrison & S. S. Perry, "Friction in the Presence of Molecular Lubricants and Solid/Hard Coatings", MRS Bulletin, 23 (1998) 27. ( Fundamentals of Friction issue, see cover for picture of our simulations BMP Format )
  • J. A. Harrison, S. J. Stuart, D. H. Robertson, & C.T. White, "Properties of Capped Nanotubes When Used as SPM Tips", J. Phys. Chem. B., 101 (1997) 9682. PDF Version
  • J. A. Harrison & D. W. Brenner, "Simulated Tribochemistry: An Atomic-Scale View of the Wear of Diamond", J. Am. Chem. Soc., 116 (1994) 10399. PDF Version

References that discuss the animated molecular dynamics simulation

  • Scientific American, October 1996, "Friction at the Atomic Scale" by Jacqueline Krim, pp. 48-56.
  • Tribology Issues and Opportunities in MEMS, ed. B. Bhushan, Kluwer Academic Press (1998), The Tribology of Hydrocarbon Surfaces Investigated using Molecular Dynamics, by J. A. Harrison, S. J. Stuart, and M. D. Perry, pp. 285-300.

Disclaimer:

"Material contained herein is made available for the purpose of peer review and discussion and does not necessarily reflect the views of the Department of the Navy or the Department of Defense."
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