Publications

  1. "Classical potential describes martensitic phase transformations between the alpha, beta and omega titanium phases"
    R. G. Hennig, T. J. Lenosky, D. R. Trinkle, S. P. Rudin, and J. W. Wilkins.
    Phys. Rev. B submitted (2007): preprint
  2. "Lattice Green function for extended defect calculations: Computation and error estimation with long-range forces"
    D. R. Trinkle.
    [Materials and Manufacturing Directorate, Air Force Research Laboratory]
    Phys. Rev. B 78, 014110 (2008): publication, PDF, doi, preprint
  3. "Prediction of dislocation cores in aluminum from density functional theory"
    C. Woodward1, D. R. Trinkle1,2, L. G. Hector3, and D. L. Olmsted4.
    [1Materials and Manufacturing Directorate, Air Force Research Laboratory; 2Department of Material Science and Engineering, University of Illinois, Urbana-Champaign; 3General Motors Technical Center, Warren, Michigan; 4Division of Engineering, Brown University]
    Phys. Rev. Lett. 100 045507 (2008): publication, PDF, doi
  4. "Lattice and elastic constants of titanium-niobium monoborides containing aluminum and vanadium"
    D. R. Trinkle.
    [Materials and Manufacturing Directorate, Air Force Research Laboratory]
    Scripta Mater. 56, 273-276 (2007): publication, PDF, doi, preprint
  5. "Contribution to size effect of yield strength from the stochastics of dislocation source lengths in finite samples"
    T. A. Parthasarathy, S. I. Rao, D. M. Dimiduk, M. D. Uchic and D. R. Trinkle.
    [Materials and Manufacturing Directorate, Air Force Research Laboratory]
    Scripta Mater. 56, 313-316 (2007): publication, PDF, doi
  6. "An Empirical Tight-Binding Model for Titanium Phase Transformations"
    D. R. Trinkle1,2, M. D. Jones2,3, R. G. Hennig4, S. P. Rudin2, R. C. Albers2, and J. W. Wilkins4.
    [1Materials and Manufacturing Directorate, Air Force Research Laboratory; 2Theoretical Division, Los Alamos National Laboratory; 3State University of New York, Buffalo; 4Ohio State University]
    Phys. Rev. B 73, 094123 (2006): publication, PDF, doi, preprint
  7. "The Chemistry of Deformation: How Solutes Soften Pure Metals"
    D. R. Trinkle and C. Woodward.
    [Materials and Manufacturing Directorate, Air Force Research Laboratory]
    Science 310, issue 5754, 1665-1667 (2005): abstract, HTML, PDF, doi
    • perspective: "Metallurgy in the Age of Silicon", by D. Chrzan [University of California, Berkeley and Lawrence Berkeley National Laboratory] Science 310, issue 5754, 1623-1624 (2005). doi
    • news item: "Metallurgists models predict alloy applications", Chemistry World, December 2005.
  8. "Systematic pathway generation and sorting in martensitic transformations: Titanium alpha to omega"
    D. R. Trinkle1, D. M. Hatch2, H. T. Stokes2, R. G. Hennig3, and R. C. Albers4.
    [1Materials and Manufacturing Directorate, Air Force Research Laboratory; 2Brigham Young University; 3Ohio State University; 4Theoretical Division, Los Alamos National Laboratory]
    Phys. Rev. B 72 014105 (2005): publication, PDF, doi, preprint
  9. "Impurities block the alpha to omega martensitic transformation in Titanium"
    R. G. Hennig1, D. R. Trinkle1, J. Bouchet2, S. G. Srinivasan2, R. C. Albers2, and J. W. Wilkins1.
    [1Ohio State University; 2Theoretical Division, Los Alamos National Laboratory]
    Nature Materials 4(2), 129-133 (2005): publication, PDF, doi, preprint
  10. "A New Mechanism for the Alpha to Omega Martensitic Transformation in Pure Titanium"
    D. R. Trinkle1, R. G. Hennig1, S. G. Srinivasan2, D. M. Hatch3, M. D. Jones4, H. T. Stokes3, R. C. Albers2, and J. W. Wilkins1.
    [1Ohio State University; 2Theoretical Division, Los Alamos National Laboratory; 3Brigham Young University); 4State University of New York, Buffalo]
    Phys. Rev. Lett. 91, 025701 (2003): publication, PDF, doi, preprint
  11. "Alpha-Omega Transition in Ti: Equation of State and Kinetics"
    C. W. Greeff1, D. R. Trinkle2, and R. C. Albers1.
    [1Theoretical Division, Los Alamos National Laboratory; 2Ohio State University]
    AIP Conference Proceedings 620 1, p. 225-8 (2002): publication, PDF, doi
  12. "Shock-Induced alpha-omega Transition in Titanium"
    C. W. Greeff1, D. R. Trinkle2, and R. C. Albers1.
    [1Theoretical Division, Los Alamos National Laboratory; 2Ohio State University]
    J. Appl. Phys. 90 5, p. 2221-6 (2001): publication, PDF, doi
  13. "Actinide Electronic Structure and Atomic Forces"
    R. C. Albers1, S. P. Rudin1, D. R. Trinkle1, and M. D. Jones2.
    [1Theoretical Division, Los Alamos National Laboratory; 2SUNY, Buffalo]
    AIP Conference Proceedings 532, p. 412-3 (2000): publication, PDF, doi
  14. "Bound States in Waveguides and Bent Quantum Wires"
    J. P. Carini, J. T. Londergan, D. P. Murdock, D. Trinkle, and C. S. Yung.
    Phys. Rev. B 55, p. 9842-9851 (1997): publication, PDF, doi

Invited Talks

  1. "First-principles calculation of dislocation/solute interaction: Solid-solution softening, dynamic strain-aging, and hydrogen trapping."
    General Motors Research and Development, April 24, 2008; slides
  2. "Electronic structure for dislocation/defect interactions"
    Japan Institute of Metals Annual Meeting, Tokyo, March 28, 2008; slides
  3. "First-principles calculation of dislocation/solute interaction: Solid-solution softening, dynamic strain-aging, and hydrogen trapping"
    Materials Science and Engineering Seminar, Univ. Wisconsin, December 14, 2007; slides
  4. "Chemistry of deformation: Solid-solution softening from first-principles to dislocation mobility"
    Service de Recherches de Metallurgie Physique seminar, CEA/Saclay, June 26, 2007: slides
  5. "Material strength from first principles: Electronic structure and the solute/dislocation interaction"
    Electronic Structure Workshop, North Carolina State University, June 12-15, 2007: slides
  6. "Chemistry of deformation: From atomic bonding to dislocations to strength"
    Joint Metallurgical Engineering and Material Science & Engineering graduate seminar, University of Utah, March 28, 2007: slides
  7. "Chemistry of deformation: Solid-solution softening from first-principles to dislocation mobility"
    TMS Annual Meeting, Orlando, FL, Feb. 25-Mar. 1, 2007: slides
  8. "Martensitic alpha to omega in titanium: Atomic pathway and impurity effects"
    TMS Annual Meeting, Orlando, FL, Feb. 25-Mar. 1, 2007: slides
  9. "The simulation of material deformation"
    Physics in Careers seminar, Xavier University, October 20, 2006: slides
  10. "Alpha to Omega in Titanium Alloys: Martensitic Phase Transitions at the Atomic Length Scale"
    MST Annual Meeting (Modeling and Simulation of Titanium Technology: Theory and Practices symposium), Pittsburgh, PA, September 26-28, 2005: slides
  11. "Martensitic Phase Transitions at the Atomic Length Scale: Titanium Alpha to Omega"
    APS March Meeting, Los Angeles, CA, March 21-25, 2005: slides
  12. "Atomistic Mechanisms of the Martensitic Titanium HCP to Omega Phase Transformation"
    Air Force Research Laboratory, Wright Patterson Air Force Base, August 20, 2003: slides
  13. "Atomistic Mechanisms of Martensitic Phase Transformations: Titanium HCP to Omega"
    Electronic Structure Workshop, University of Minnesota, May 17-19, 2003: slides
  14. "A Systematic Approach to Modeling Martensitic Phase Transformations: The Titanium Hcp to Omega Transition"
    Brigham Young University, October 18, 2001: slides
  15. "Total Energy and Elastic Properties of Titanium via Tight-Binding"
    University of Cincinnati, July 14, 1999.

Conference contributions

  1. "Ab initio calculation of H in Pd dislocation core".
    MRS Fall Meeting, Boston, MA, November 26-30, 2007: slides
  2. "Chemistry of Deformation: Solute Softening of Molybdenum and Iron"
    MST Annual Meeting, Cincinnati, OH, October 16-20, 2006: slides
  3. "New Quantitative Analysis Explains Softening of Pure Metals by Solutes"
    TMS Annual Meeting, San Antonio, March 12-16, 2006: slides
  4. "Quantitative Modeling of Solid-solution Softening in BCC Mo at the Atomistic Scale"
    MRS Fall Meeting, Boston, MA, November 28-December 2, 2005: slides
  5. "Intrinsic Solid-Solution Softening in BCC Mo from Dislocation-Solute Interactions"
    APS March Meeting, Los Angeles, CA, March 21-25, 2005: slides
  6. "Solid-Solution Softening Trends in BCC Molybdenum by First Principles"
    TMS Annual Meeting, San Francisco, February 14-17, 2005: slides
  7. "Solid-Solution Softening in BCC Molybdenum from First Principles"
    MST Annual Meeting, New Orleans, LA, September 26-30, 2004: slides
  8. "Impurities Block the Alpha to Omega Martensitic Transformation in Titanium"
    TMS Annual Meeting, Charlotte, March 15-18, 2004: slides
  9. "Inhomogeneous Mechanism for the HCP to Omega Martensitic Transformation in Pure Titanium"
    APS March Meeting, Austin, March 3-7, 2003: slides
  10. "A New Mechanism for the HCP to Omega Transformation in Pure Titanium"
    TMS Annual Meeting, San Diego, March 2-6, 2003: slides
  11. "The Mechanism of the Titanium HCP to Omega Transformation"
    Electronic Structure Workshop, University of Califonia at Berkeley, June 5-8, 2002: (poster)
  12. "Complete Titanium HCP to Omega Transformation Mechanism"
    APS March Meeting, Indianapolis, March 18-22, 2002: slides
  13. "Titanium HCP to Omega Transformation with Oxygen Impurities"
    APS March Meeting, Indianapolis, March 18-22, 2002: slides
  14. "Modeling the HCP to Omega Phase Transition in Titanium"
    2000 Psi-k Conference, Schwaebisch Gmuend, Germany, August 22-26, 2000: (poster)
  15. "A New Tight-Binding Model for Titanium"
    APS March Meeting, Minneapolis, March 20-24, 2000: slides
  16. "Modeling the HCP to Omega Phase Transition in Titanium"
    1999 Psi-k Workshop on Calculation of Material Properties, Trieste, Italy, August 9-18, 1999: (poster)
  17. "Total Energy and Elastic Properties of Titanium via Tight-Binding"
    Electronic Structure Workshop, University of Illinois at Urbana-Champagne, May 21-24, 1999: poster
  18. "Interstitials on Si {113} Surface"
    Electronic Structure Workshop, Philadelphia, May 29-31, 1998: (poster)
  19. "Interstitials on Si {113} Surface"
    APS March Meeting, Los Angeles, March 23-27, 1998: (slides)