D. Trinkle

发表

Empirical tight-binding model for titanium phase transformations

Los Alamos National Laboratory, O. University, R. Hennig, 2005, cond-mat/0502636.

Basal and prism dislocation cores in magnesium: comparison of first-principles and embedded-atom-potential methods predictions

L. Hector, W. Curtin, D. Trinkle, 2009 .

Accurate and efficient algorithm for Bader charge integration.

Min Yu, D. Trinkle, M. Yu, 2010, The Journal of chemical physics.

Kinetic Monte Carlo investigation of tetragonal strain on Onsager matrices.

D. Trinkle, Zebo Li, 2016, Physical review. E.

Classical potential describes martensitic phase transformations between the α, β, and ω titanium phases

R. Hennig, T. Lenosky, J. Wilkins, 2007, 0706.1764.

First-principles study of interfacial boundaries in Ni – Ni 3

Al, C. Woodward, D. Trinkle, 2014 .

The Chemistry of Deformation: How Solutes Soften Pure Metals

C. Woodward, D. Trinkle, 2005, Science.

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

Margaret K. A. Koker, P. Kenesei, U. Lienert, 2015 .

Thermal conductivity of compressed H 2 O to 22 GPa: A test of the Leibfried-Schlömann equation

Bin Chen, Dallas R. Trinkle, David G. Cahill, 2011 .

Interaction of oxygen interstitials with lattice faults in Ti

M. Ghazisaeidi, D. Trinkle, 2014, 1403.2806.

Prediction of thermal cross-slip stress in magnesium alloys from a geometric interaction model

L. Hector, D. Trinkle, J. Yasi, 2012 .

Core structure of a screw dislocation in Ti from density functional theory and classical potentials

M. Ghazisaeidi, D. Trinkle, 2012 .

Systematic pathway generation and sorting in martensitic transformations: Titanium α to ω

Los Alamos National Laboratory, Brigham Young University, O. University, 2005, cond-mat/0501271.

Thermal transport across high-pressure semiconductor-metal transition in Si and Si 0.991 Ge 0.009

D. Cahill, D. Trinkle, Gregory T. Hohensee, 2015 .

Energetics of Rutile TiO2 Vicinal Surfaces with ⟨001⟩ Steps from the Energy Density Method

D. Trinkle, Bora Lee, 2015 .

Impact of integrating computation into undergraduate curriculum: New modules and long-term trends

Timothy Bretl, Matthew West, Geoffrey L. Herman, 2020 .

Lattice Green function for extended defect calculations: Computation and error estimation with long-range forces

D. Trinkle, 2006, cond-mat/0607388.

Mechanism of a prototypical synthetic membrane-active antimicrobial: Efficient hole-punching via interaction with negative intrinsic curvature lipids

G. Wong, J. Cronan, V. Gordon, 2008, Proceedings of the National Academy of Sciences.

Machine Learning Methods for Multiscale Physics and Urban Engineering Problems

Snigdhansu Chatterjee, D. Laefer, D. Trinkle, 2022, Entropy.

Cu/Ag EAM potential optimized for heteroepitaxial diffusion from ab initio data

Henry H. Wu, D. Trinkle, 2009, 0901.0861.

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

D. Trinkle, Hyojung Kim, 2016 .

Misfit-dislocation-mediated heteroepitaxial island diffusion

Henry H. Wu, D. Trinkle, A. Signor, 2009, 0908.3004.

Systematic pathway generation and sorting in martensitic transformations: Titanium α to ω

Los Alamos National Laboratory, Brigham Young University, O. University, 2005, cond-mat/0501271.

Exact Model of Vacancy-Mediated Solute Transport in Magnesium.

D. Trinkle, R. Agarwal, 2017, Physical review letters.

Numerical calculation of interstitial dumbbell-mediated transport coefficients in dilute crystalline systems with non-truncated correlations

D. Trinkle, Soham Chattopadhyay, 2022, Philosophical Magazine.

Empirical tight-binding model for titanium phase transformations

Los Alamos National Laboratory, Air Force Research Laboratory, O. University, 2005, cond-mat/0502636.

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

Yi Wang, Dallas R. Trinkle, Zi-Kui Liu, 2017 .

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

D. Trinkle, V. Manga, P. Bellon, 2014 .

Direct diffusion through interpenetrating networks: oxygen in titanium.

Henry H. Wu, D. Trinkle, 2011, Physical review letters.

First-principles calculations of solute transport in zirconium: Vacancy-mediated diffusion with metastable states and interstitial diffusion

P. Burr, Abhinav Jain, D. Trinkle, 2019, Physical Review Materials.

Lattice and elastic constants of titanium-niobium monoborides containing aluminum and vanadium

D. Trinkle, 2006, cond-mat/0607398.

Prediction of dislocation cores in aluminum from density functional theory.

L. Hector, C. Woodward, D. Trinkle, 2008, Physical review letters.

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

D. Trinkle, 2016, 1605.03623.

Impurities block the α to ω martensitic transformation in titanium

S. G. Srinivasan, R. Hennig, J. Wilkins, 2003, Nature materials.

New mechanism for the alpha to omega martensitic transformation in pure titanium.

S. G. Srinivasan, R. Hennig, H. Stokes, 2003, Physical review letters.

Ab initio based empirical potential used to study the mechanical properties of molybdenum

Richard G. Hennig, John W. Wilkins, William W. Tipton, 2012 .

Atomistic study of edge and screw (c + a) dislocations in magnesium

L. Hector, W. Curtin, D. Trinkle, 2010 .

Split-vacancy defect complexes of oxygen in hcp and fcc cobalt

R. Hennig, D. Trinkle, R. Maaß, 2020 .

First-principles core energies of isolated basal and prism screw dislocations in magnesium

D. Trinkle, Yang Dan, 2022, Materials Research Letters.

Uncertainty quantification of solute transport coefficients

D. Trinkle, R. Agarwal, 2020 .

Variational Principle for Mass Transport.

D. Trinkle, 2018, Physical review letters.

Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach

Dallas R. Trinkle, D. Trinkle, 2016, 1608.01252.

Dislocation core structures in Ni-based superalloys computed using a density functional theory based flexible boundary condition approach

C. Woodward, D. Trinkle, A. M. Tan, 2019, Physical Review Materials.

Shock-induced α–ω transition in titanium

C. Greeff, D. Trinkle, R. Albers, 2001 .

Island Shape Controls Magic-Size Effect for Heteroepitaxial Diffusion

Henry H. Wu, D. Trinkle, A. Signor, 2009, 0908.3006.

Ab initio magnesium-solute transport database using exact diffusion theory

D. Trinkle, R. Agarwal, 2018 .

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

B. Grabowski, J. Neugebauer, D. Trinkle, 2015 .

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

D. Trinkle, Emily J. Schiavone, 2016 .

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

L. Hector, D. Trinkle, M. Fellinger, 2019, Computational Materials Science.

Contribution to size effect of yield strength from the stochastics of dislocation source lengths in finite samples

Michael D. Uchic, Dennis M. Dimiduk, Dallas R. Trinkle, 2007 .

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

L. Hector, D. Trinkle, A. M. Tan, 2018, Physical Review Materials.

Solute effect on oxygen diffusion in α-titanium

Henry H. Wu, D. Trinkle, 2013 .

Ab initio simulations of molten Ni alloys

C. Woodward, M. Asta, D. Trinkle, 2010 .

Oxygen diffusion in hcp metals from first principles

Henry H. Wu, D. Trinkle, Pandu Wisesa, 2016 .

First-principles study of interfacial boundaries in Ni-Ni3Al

C. Woodward, M. Asta, D. Trinkle, 2014 .

Designing Optimal Perovskite Structure for High Ionic Conduction

V. Gopalan, T. Ishihara, L. Martin, 2019, Advanced materials.

Computation of the lattice Green function for a dislocation.

D. Trinkle, A. M. Tan, 2016, Physical review. E.

Convergence rate for numerical computation of the lattice Green's function.

M. Ghazisaeidi, D. Trinkle, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

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

D. Trinkle, Zebo Li, 2017 .

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

D. Trinkle, M. Nastar, P. Bellon, 2014 .

Solute drag by vacancies in body-centered cubic alloys

D. Trinkle, M. Nastar, P. Bellon, 2013 .

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

D. Trinkle, M. Nastar, V. Manga, 2013 .

Exploring the necessary complexity of interatomic potentials

Dallas R. Trinkle, Joshua A. Vita, D. Trinkle, 2021 .

Mechanism of A Prototypical Synthetic Membrane-Active Antimicrobial: Efficient Hole-Punching by Targeting Lipids With Negative Spontaneous Curvature Lipids

G. Wong, J. Cronan, V. Gordon, 2008 .

Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes

R. Averback, D. Trinkle, T. Schuler, 2018, Physical Review Materials.

Energy density in density functional theory: Application to crystalline defects and surfaces

Engineering, Department of Physics, Department of Materials Science, 2010, 1011.4683.

Nanoscale hydride formation at dislocations in palladium: Ab initio theory and inelastic neutron scattering measurements

Engineering, National Institute of Standards, Urbana-Champaign, 2011, 1104.3757.

Computational Curriculum for MatSE Undergraduates and the Influence on Senior Classes

Geoffrey L. Herman, J. Shang, Xiao Zhang, 2018 .

Computational Curriculum for MatSE Undergraduates

Timothy Bretl, Geoffrey L. Herman, Matthew West, 2017 .

Database optimization for empirical interatomic potential models

D. Trinkle, P. Zhang, 2013, 1308.0613.

Accelerated molecular dynamics simulations of dislocation climb in nickel

D. Perez, D. Trinkle, A. M. Tan, 2021, Physical Review Materials.

First principles calculations of beryllium stability in zirconium surfaces

Abhinav Jain, D. Trinkle, 2017 .

Solutes that reduce yield strength anisotropies in magnesium from first principles

L. Hector, D. Trinkle, M. Fellinger, 2022, Physical Review Materials.

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

L. Hector, D. Trinkle, M. Fellinger, 2017, Data in brief.

Bound states in waveguides and bent quantum wires. I. Applications to waveguide systems

J. T. Londergan, C. S. Yung, Dallas R. Trinkle, 1997 .

Stress-dependent dislocation core structures leading to non-Schmid behavior

Yunzhi Wang, D. Trinkle, P. Zhao, 2021 .

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

E. Mamontov, D. Trinkle, M. Tyagi, 2014, Physical review letters.

AB-INITIO SIMULATIONS OF MOLTEN Ni ALLOYS (PREPRINT)

C. Woodward, D. Trinkle, J. Lill, 2010 .

Direct calculation of the lattice Green function with arbitrary interactions for general crystals.

D. Trinkle, J. Yasi, 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

Ab-initio Molecular Dynamics Simulations of Molten Ni-Based Superalloys

M. Asta, D. Trinkle, C. Woodward, 2006, 2008 DoD HPCMP Users Group Conference.

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

C. Niu, M. Ghazisaeidi, D. Trinkle, 2018, Acta Materialia.

First-principles calculation of H vibrational excitations at a dislocation core of Pd

D. Trinkle, H. M. Lawler, 2010, 1008.1256.

Direct calculation of the lattice Green function with arbitrary interactions for general crystals.

D. Trinkle, J. Yasi, 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

Prediction of dislocation cores in aluminum from density functional theory.

C. Woodward, D. Trinkle, D. Olmsted, 2008, Physical review letters.

Discovering melting temperature prediction models of inorganic solids by combining supervised and unsupervised learning.

Snigdhansu Chatterjee, D. Trinkle, Jose A. Garrido Torres, 2024, The Journal of chemical physics.

Spline-based neural network interatomic potentials: blending classical and machine learning models

D. Trinkle, Joshua A Vita, 2023, Computational Materials Science.

Impurities block the α to ω martensitic transformation in titanium

D. Trinkle, Srivilliputhur G. Srinivasan, Richard G. Hennig, 2003, cond-mat/0309162.

Explainable machine learning for hydrogen diffusion in metals and random binary alloys

S. Agarwal, V. Stavila, D. Trinkle, 2023, Physical Review Materials.