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Research Output

2020

Designing Optimal Perovskite Structure for High Ionic Conduction

Gao, R., Jain, A. C. P., Pandya, S., Dong, Y., Yuan, Y., Zhou, H., Dedon, L. R., Thoréton, V., Saremi, S., Xu, R., Luo, A., Chen, T., Gopalan, V., Ertekin, E., Kilner, J., Ishihara, T., Perry, N. H., Trinkle, D. R. & Martin, L. W., Jan 1 2020, In : Advanced Materials. 32, 1, 1905178.

Research output: Contribution to journalArticle

2019

Impact of solutes on the lattice parameters and elastic stiffness coefficients of hcp Fe from first-principles calculations

Fellinger, M. R., Hector, L. G. & Trinkle, D. R., Jun 15 2019, In : Computational Materials Science. 164, p. 116-126 11 p.

Research output: Contribution to journalArticle

2018

Ab initio magnesium-solute transport database using exact diffusion theory

Agarwal, R. & Trinkle, D. R., May 15 2018, In : Acta Materialia. 150, p. 339-350 12 p.

Research output: Contribution to journalArticle

Effect of solutes on the lattice parameters and elastic stiffness coefficients of body-centered tetragonal Fe

Fellinger, M. R., Hector, L. G. & Trinkle, D. R., Sep 2018, In : Computational Materials Science. 152, p. 308-323 16 p.

Research output: Contribution to journalArticle

First-principles prediction of oxygen diffusivity near the (101¯2) twin boundary in titanium

Hooshmand, M. S., Niu, C., Trinkle, D. R. & Ghazisaeidi, M., Sep 1 2018, In : Acta Materialia. 156, p. 11-19 9 p.

Research output: Contribution to journalArticle

Geometries of edge and mixed dislocations in bcc Fe from first-principles calculations

Fellinger, M. R., Tan, A. M. Z., Hector, L. G. & Trinkle, D. R., Nov 26 2018, In : Physical Review Materials. 2, 11, 113605.

Research output: Contribution to journalArticle

Variational Principle for Mass Transport

Trinkle, D. R., Dec 3 2018, In : Physical review letters. 121, 23, 235901.

Research output: Contribution to journalArticle

2017

Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

Fellinger, M. R., Hector, L. G. & Trinkle, D. R., Jan 1 2017, In : Computational Materials Science. 126, p. 503-513 11 p.

Research output: Contribution to journalArticle

Computational curriculum for MatSE undergraduates

Kononov, A., Bellon, P., Bretl, T., Ferguson, A. L., Herman, G. L., Kilian, K. A., Krogstad, J. A., Leal, C., Maass, R., Schleife, A., Shang, J. K., Trinkle, D. R. & West, M., Jun 24 2017, In : ASEE Annual Conference and Exposition, Conference Proceedings. 2017-June

Research output: Contribution to journalConference article

Data files for ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

Fellinger, M. R., Hector, L. G. & Trinkle, D., Feb 1 2017, In : Data in Brief. 10, p. 147-150 4 p.

Research output: Contribution to journalArticle

Design principles for radiation-resistant solid solutions

Schuler, T., Trinkle, D. R., Bellon, P. & Averback, R., May 10 2017, In : Physical Review B. 95, 17, 174102.

Research output: Contribution to journalArticle

Exact Model of Vacancy-Mediated Solute Transport in Magnesium

Agarwal, R. & Trinkle, D. R., Mar 7 2017, In : Physical review letters. 118, 10, 105901.

Research output: Contribution to journalArticle

First principles calculations of beryllium stability in zirconium surfaces

Jain, A. C. P. & Trinkle, D. R., Jan 1 2017, In : Acta Materialia. 122, p. 359-368 10 p.

Research output: Contribution to journalArticle

Mechanical properties and phase stability of monoborides using density functional theory calculations

Kim, H. & Trinkle, D. R., Jun 26 2017, In : Physical Review Materials. 1, 1, 013601.

Research output: Contribution to journalArticle

Mesoscale modeling of vacancy-mediated Si segregation near an edge dislocation in Ni under irradiation

Li, Z. & Trinkle, D. R., Apr 11 2017, In : Physical Review B. 95, 14, 144107.

Research output: Contribution to journalArticle

Solute-induced solid-solution softening and hardening in bcc tungsten

Hu, Y. J., Fellinger, M. R., Bulter, B. G., Wang, Y., Darling, K. A., Kecskes, L. J., Trinkle, D. R. & Liu, Z. K., Dec 2017, In : Acta Materialia. 141, p. 304-316 13 p.

Research output: Contribution to journalArticle

Work in Progress: Design of a First-Year Rhetoric Course for Engineering Students

Zahid, M. U., Groundwater, E. S., Li, Y., Elliott, C. M., Smith, A. M., Trinkle, D. R., Ritter, K., Carney, P. S., Pool, M. & Jensen, K., Jun 24 2017, In : ASEE Annual Conference and Exposition, Conference Proceedings. 2017-June, 13 p.

Research output: Contribution to journalConference article

2016

Ab initio modeling of quasielastic neutron scattering of hydrogen pipe diffusion in palladium

Schiavone, E. J. & Trinkle, D., Aug 26 2016, In : Physical Review B. 94, 5, 054114.

Research output: Contribution to journalArticle

A modified embedded atom method potential for interstitial oxygen in titanium

Zhang, P. & Trinkle, D. R., Nov 1 2016, In : Computational Materials Science. 124, p. 204-210 7 p.

Research output: Contribution to journalArticle

Computation of the lattice Green function for a dislocation

Tan, A. M. Z. & Trinkle, D. R., Aug 11 2016, In : Physical Review E. 94, 2, 023308.

Research output: Contribution to journalArticle

Diffusivity and derivatives for interstitial solutes: activation energy, volume, and elastodiffusion tensors

Trinkle, D. R., Sep 11 2016, In : Philosophical Magazine. 96, 26, p. 2714-2735 22 p.

Research output: Contribution to journalArticle

Effect of charge on point defect size misfits from ab initio: Aliovalently doped SrTiO3

Kim, H. & Trinkle, D. R., Jun 15 2016, In : Computational Materials Science. 119, p. 41-45 5 p.

Research output: Contribution to journalArticle

Kinetic Monte Carlo investigation of tetragonal strain on Onsager matrices

Li, Z. & Trinkle, D. R., May 17 2016, In : Physical Review E. 93, 5, 053305.

Research output: Contribution to journalArticle

Light-element diffusion in Mg using first-principles calculations: Anisotropy and elastodiffusion

Agarwal, R. & Trinkle, D. R., Aug 12 2016, In : Physical Review B. 94, 5, 054106.

Research output: Contribution to journalArticle

Oxygen diffusion in hcp metals from first principles

Wu, H. H., Wisesa, P. & Trinkle, D. R., Jul 15 2016, In : Physical Review B. 94, 1, 014307.

Research output: Contribution to journalArticle

Work in progress: Computational modules for the MatSE undergraduate curriculum

Mansbach, R. A., Herman, G. L., West, M., Trinkle, D. R., Ferguson, A. & Schleife, A., Jun 26 2016.

Research output: Contribution to conferencePaper

2015

A study of stress relaxation in AZ31 using high-energy X-ray diffraction

Tang, W., Halm, K. L., Trinkle, D. R., Koker, M. K. A., Lienert, U., Kenesei, P. & Beaudoin, A. J., Dec 1 2015, In : Acta Materialia. 101, p. 71-79 9 p.

Research output: Contribution to journalArticle

Database optimization for empirical interatomic potential models

Zhang, P. & Trinkle, D. R., Sep 1 2015, In : Modelling and Simulation in Materials Science and Engineering. 23, 6, 065011.

Research output: Contribution to journalArticle

Energetics of Rutile TiO2 Vicinal Surfaces with <001> Steps from the Energy Density Method

Lee, B. & Trinkle, D. R., Jul 23 2015, In : Journal of Physical Chemistry C. 119, 32, p. 18203-18209 7 p.

Research output: Contribution to journalArticle

Importance of coordination number and bond length in titanium revealed by electronic structure investigations

Huang, L. F., Grabowski, B., Mceniry, E., Trinkle, D. R. & Neugebauer, J., Sep 1 2015, In : Physica Status Solidi (B) Basic Research. 252, 9, p. 1907-1924 18 p.

Research output: Contribution to journalArticle

Thermal transport across high-pressure semiconductor-metal transition in Si and Si0.991 Ge0.009

Hohensee, G. T., Fellinger, M. R., Trinkle, D. R. & Cahill, D. G., May 7 2015, In : Physical Review B - Condensed Matter and Materials Physics. 91, 20, 205104.

Research output: Contribution to journalArticle

2014

Diffusion of Si impurities in Ni under stress: A first-principles study

Garnier, T., Manga, V. R., Bellon, P. & Trinkle, D. R., Jul 23 2014, In : Physical Review B - Condensed Matter and Materials Physics. 90, 2, 024306.

Research output: Contribution to journalArticle

Direct measurement of hydrogen dislocation pipe diffusion in deformed polycrystalline Pd using quasielastic neutron scattering

Heuser, B. J., Trinkle, D. R., Jalarvo, N., Serio, J., Schiavone, E. J., Mamontov, E. & Tyagi, M., Jul 10 2014, In : Physical review letters. 113, 2, 025504.

Research output: Contribution to journalArticle

First-principles study of interfacial boundaries in Ni-Ni3Al

Woodward, C., Van De Walle, A., Asta, M. & Trinkle, D. R., Aug 15 2014, In : Acta Materialia. 75, p. 60-70 11 p.

Research output: Contribution to journalArticle

Foreword: Multiscale Perspectives on Plasticity in HCP Metals

Morrow, B. M., Mathaudhu, S. N., Cerreta, E. K., Pablo Escobedo-Diaz, J. & Trinkle, D., Oct 24 2014, In : Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science. 45, 13, 1 p.

Research output: Contribution to journalEditorial

Interaction of oxygen interstitials with lattice faults in Ti

Ghazisaeidi, M. & Trinkle, D. R., Sep 1 2014, In : Acta Materialia. 76, p. 82-86 5 p.

Research output: Contribution to journalArticle

Quantitative modeling of solute drag by vacancies in face-centered-cubic alloys

Garnier, T., Trinkle, D. R., Nastar, M. & Bellon, P., Apr 17 2014, In : Physical Review B - Condensed Matter and Materials Physics. 89, 14, 144202.

Research output: Contribution to journalArticle

2013

Database optimization for empirical interatomic potential models

Zhang, P. & Trinkle, D., Aug 2 2013.

Research output: Working paper

File

Hydrogen trapping at dislocation cores at room temperature in deformed Pd

Heuser, B. J., Trinkle, D. R., Yang, D. R. & He, L., Jan 1 2013, In : Journal of Alloys and Compounds. 577, p. 189-191 3 p.

Research output: Contribution to journalArticle

Solute drag by vacancies in body-centered cubic alloys

Garnier, T., Nastar, M., Bellon, P. & Trinkle, D. R., Oct 2 2013, In : Physical Review B - Condensed Matter and Materials Physics. 88, 13, 134201.

Research output: Contribution to journalArticle

Solute effect on oxygen diffusion in α-titanium

Wu, H. H. & Trinkle, D. R., Jun 14 2013, In : Journal of Applied Physics. 113, 22, 223504.

Research output: Contribution to journalArticle

Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni

Garnier, T., Manga, V. R., Trinkle, D. R., Nastar, M. & Bellon, P., Oct 25 2013, In : Physical Review B - Condensed Matter and Materials Physics. 88, 13, 134108.

Research output: Contribution to journalArticle