Department Head and Kobe Steel Distinguished Professor
- Engineering Building I (EB1) 3028D
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Donald Brenner was a staff scientist at the U.S. Naval Research Laboratory before joining the NCSU faculty in 1994.
Brenner’s interests include atomistic simulations of the structure, growth and properties of thin films; simulated engineering of nanometer-scale structures and devices; solid-state chemical dynamics.
Dr. Brenner’s group’s research uses atomic-scale computer simulations to develop a fundamental understanding of many-body chemical dynamics in condensed phases, with an emphasis on technologically-important materials and processes. Specific areas of interest currently include molecule-surface collisions and thin film vapor deposition; energy transfer, friction, tribochemistry and their influence on the wear of sliding solid interfaces; shock-induced chemistry in solids; nanometer-scale structure and mechanical properties of grain boundaries in covalent materials; mechanisms of cross-linking and hardening of polymers via ion bombardment; and the development of new strategies for engineering nanometer-scale structures and devices. Much of the engineering of advanced materials and electronic devices in the next century will likely require building structures on a microscopic if not an atom-by-atom level. By exploring this realm, their simulations are helping to lay the foundation for the next generation of materials engineering.
Pennsylvania State University
State University of New York
- How predictable is plastic damage at the atomic scale?
- Li, D., Bucholz, E. W., Peterson, G., Reich, B. J., Russ, J. C., & Brenner, D. W. (2017), Applied Physics Letters, 110(9).
- Understanding the atomic-level chemistry and structure of oxide deposits on fuel rods in light water nuclear reactors using first principles methods
- Rak, Z., O'Brien, C. J., Brenner, D. W., Andersson, D. A., & Stanek, C. R. (2016), JOM: the Journal of the Minerals, Metals & Materials Society, 68(11), 2912-2921.
- Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations
- Rak, Z., Rost, C. M., Lim, M., Sarker, P., Toher, C., Curtarolo, S., Maria, J. P., & Brenner, D. W. (2016), Journal of Applied Physics, 120(9).
- Theoretical assessment of bonaccordite formation in pressurized water reactors
- Rak, Z., O'Brien, C. J., Shin, D., Andersson, A. D., Stanek, C. R., & Brenner, D. W. (2016), Journal of Nuclear Materials, 474, 62-64.
- Tribological properties of nanodiamonds in aqueous suspensions: effect of the surface charge
- Liu, Z. J., Leininger, D., Koolivand, A., Smirnov, A. I., Shenderova, O., Brenner, D. W., & Krim, J. (2015), RSC Advances, 5(96), 78933-78940.
- Tribological properties of polyalphaolefin oil modified with nanocarbon additives
- Nunn, N., Mahbooba, Z., Ivanov, M. G., Ivanov, D. M., Brenner, D. W., & Shenderova, O. (2015), Diamond and Related Materials, 54, 97-102.
- New method for extracting diffusion-controlled kinetics from differential scanning calorimetry: Application to energetic nanostructures
- Lu, S. J., Mily, E. J., Irving, D. L., Maria, J. P., & Brenner, D. W. (2015), Journal of Physical Chemistry. C, 119(25), 14411-14418.
- Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3
- Rak, Z., & Brenner, D. W. (2015), Philosophical Magazine, 95(20), 2167-2174.
- Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)
- Rak, Z., Bucholz, E. W., & Brenner, D. W. (2015), Journal of Nuclear Materials, 461, 350-356.
- Theory and modelling of diamond fracture from an atomic perspective
- Brenner, D. W., Shenderova, O. A. (2015), Philosophical Transactions. Mathematical, Physical, and Engineering Sciences., 373(2038).