Dallas Trinkle

For More Information

• Trinkle research group page

Professional Highlights

• Dallas R. Trinkle is an Ivan Racheff Professor and Associate Head of Materials Science and Engineering at Univ. Illinois, Urbana-Champaign. He received his Ph.D. in Physics from Ohio State University in 2003. Following his time as a National Research Council postdoctoral researcher at the Air Force Research Laboratory, he joined the faculty of the Department of Materials Science and Engineering at Univ. Illinois, Urbana-Champaign in 2006. He was a TMS Young Leader International Scholar in 2008, received the NSF/CAREER award in 2009, the Xerox Award for Faculty Research at Illinois in 2011, the AIME Robert Lansing Hardy Award in 2014, the TMS Brimacombe Medal in 2019, co-chaired the 2011 Physical Metallurgy Gordon Research conference, and became a Willett Faculty Scholar at Illinois in 2015, a Center for Advanced Study Associate and NCSA Faculty Fellow in 2017, and an Ivan Racheff Professor in 2021. His research focuses on computational methods for studying defects in materials at the atomic-scale using density-functional theory, and novel techniques to understand problems in mechanical behavior and transport. This has led to ab initio predictions of solid-solution softening in molybdenum, solute strengthening and softening in magnesium alloys, pipe diffusion of hydrogen in palladium, diffusion of oxygen in titanium and solutes in magnesium, among others.

Research Statement

Computational materials science: atomistics, electronic structure;

Mechanical behavior: plasticity and phase transformation at atomistic scale;

Defect properties: point defects, dislocations, interfaces;

Transport: interstitial diffusion, vacancy-mediated diffusion.

Post-Doctoral Research Opportunities

Please contact me about current postdoctoral positions.

Graduate Research Opportunities

I am looking to hire motivated, interested students.Please read a note for prospective students and then contact me.

Research Topics

• Data Science & Accelerated Materials Discovery
• Infrastructure
• Mechanical Properties and Materials for Extreme Conditions

Selected Articles in Journals

• Contributions to Diffusion in Complex Materials Quantified with Machine Learning. Soham Chattopadhyay and Dallas R. Trinkle, Phys. Rev. Lett. 132, 186301 (2024)
• First-principles core energies of isolated basal and prism screw dislocations in magnesium. Y. Dan and D. R. Trinkle, Mater. Res. Lett. 10, 360–368 (2022).
• Exploring the necessary complexity of interatomic potentials. J. A. Vita and D. R. Trinkle, Comp. Mater. Sci. 200, 110752 (2021).
• A. M. Z. Tan, C. Woodward, and D. R. Trinkle, "Dislocation core structures in Ni-based superalloys computed using density functional theory-based flexible boundary condition approach." Phys. Rev. Mater. 3, 033609 (2019).
• D. R. Trinkle. Variational principle for mass transport. Phys. Rev. Lett. 121, 235901 (2018).
• M. R. Fellinger, A. M. Z. Tan, L. G. Hector Jr., and D. R. Trinkle. Geometries of edge and mixed dislocations in bcc Fe from first principles calculations. Phys. Rev. Mater. 2, 113605 (2018).
• D. R. Trinkle, Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach. Philos. Mag. 97, 2514-2563 (2017)
• R. Agarwal and D. R. Trinkle, Exact model of vacancy-mediated solute transport in magnesium. Phys. Rev. Lett. 118, 105901 (2017)
• A. M. Z. Tan and D. R. Trinkle, "Computation of the lattice Green function for a dislocation." Phys. Rev. E 94, 023308 (2016).
• B. J. Heuser, D. R. Trinkle, N. Jalarvo, J. Serio, E. J. Schiavone, E. Mamontov, and M. Tyagi, "Direct measurement of hydrogen dislocation pipe diffusion in deformed polycrystalline Pd using quasielastic neutron scattering," Phys. Rev. Lett. 113, 025504 (2014).
• M. Yu and D. R. Trinkle, "Au/TiO₂(110) interfacial reconstruction stability from ab initio," J. Phys. Chem. C 115, 17799-17805 (2011).
• H. H. Wu and D. R. Trinkle, "Direct diffusion through interpenetrating networks: Oxygen in titanium." Phys. Rev. Lett. 107, 045504 (2011)
• M. Yu and D. R. Trinkle, "Accurate and efficient algorithm for Bader charge integration." J. Chem. Phys. 134, 064111 (2011),
• J. A. Yasi, L. G. Hector Jr., and D. R. Trinkle. "First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties." Acta Mater. 58, 5704-5713 (2010).
• D. R. Trinkle and C. Woodward, "The Chemistry of Deformation: How Solutes Soften Pure Metals." Science 310, p.1665-1667 (2005).