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1

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

Carini, John P., Londergan, J. T., Murdock, D. P., Trinkle, Dallas, Yung, C. S.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 550 KB

english, 1997

2

Applying for computational time on NSF’s TeraGrid—the world’s largest cyberinfrastructure supporting open research

Katsuyo Thornton, Dallas R. Trinkle, Richard G. Hennig

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2010

File:

PDF, 3.85 MB

2010

3

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

Henry H. Wu, Dallas R. Trinkle

Journal:

Computational Materials Science

Year:

2009

Language:

english

File:

PDF, 980 KB

english, 2009

4

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

Garnier, Thomas, Manga, Venkateswara R., Trinkle, Dallas R., Nastar, Maylise, Bellon, Pascal

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 921 KB

english, 2013

5

Accurate and efficient algorithm for Bader charge integration

Yu, Min, Trinkle, Dallas R.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 993 KB

english, 2011

6

Database optimization for empirical interatomic potential models

Zhang, Pinchao, Trinkle, Dallas R

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2015

Language:

english

File:

PDF, 958 KB

english, 2015

7

A modified embedded atom method potential for interstitial oxygen in titanium

Zhang, Pinchao, Trinkle, Dallas R.

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 778 KB

english, 2016

8

First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties

Joseph A. Yasi, Louis G. Hector Jr., Dallas R. Trinkle

Journal:

Acta Materialia

Year:

2010

Language:

english

File:

PDF, 1.49 MB

english, 2010

9

Misfit-dislocation-mediated heteroepitaxial island diffusion

A.W. Signor, Henry H. Wu, Dallas R. Trinkle

Journal:

Surface Science

Year:

2010

Language:

english

File:

PDF, 270 KB

english, 2010

10

Impurities block the α to ω martensitic transformation in titanium

Hennig, Richard G., Trinkle, Dallas R., Bouchet, Johann, Srinivasan, Srivilliputhur G., Albers, Robert C., Wilkins, John W.

Journal:

Nature Materials

Year:

2005

Language:

english

File:

PDF, 243 KB

english, 2005

11

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

Park, Hyoungki, Fellinger, Michael R., Lenosky, Thomas J., Tipton, William W., Trinkle, Dallas R., Rudin, Sven P., Woodward, Christopher, Wilkins, John W., Hennig, Richard G.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 544 KB

english, 2012

12

Prediction of thermal cross-slip stress in magnesium alloys from direct first-principles data

Joseph A. Yasi, Louis G. Hector Jr., Dallas R. Trinkle

Journal:

Acta Materialia

Year:

2011

Language:

english

File:

PDF, 698 KB

english, 2011

13

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

Joseph A. Yasi, Louis G. Hector Jr., Dallas R. Trinkle

Journal:

Acta Materialia

Year:

2012

Language:

english

File:

PDF, 731 KB

english, 2012

14

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

Triplicane A. Parthasarathy, Satish I. Rao, Dennis M. Dimiduk, Michael D. Uchic, Dallas R. Trinkle

Journal:

Scripta Materialia

Year:

2007

Language:

english

File:

PDF, 174 KB

english, 2007

15

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

Yasi, Joseph A., Trinkle, Dallas R.

Journal:

Physical Review E

Year:

2012

Language:

english

File:

PDF, 1.72 MB

english, 2012

16

Island shape controls magic-size effect for heteroepitaxial diffusion

Wu, Henry H., Signor, A. W., Trinkle, Dallas R.

Journal:

Journal of Applied Physics

Year:

2010

Language:

english

File:

PDF, 781 KB

english, 2010

17

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

Yu, Min, Trinkle, Dallas R., Martin, Richard M.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 675 KB

english, 2011

18

Solute effect on oxygen diffusion in α-titanium

Wu, Henry H., Trinkle, Dallas R.

Journal:

Journal of Applied Physics

Year:

2013

Language:

english

File:

PDF, 1.14 MB

english, 2013

19

Hydrogen trapping at dislocation cores at room temperature in deformed Pd

Heuser, Brent J., Trinkle, Dallas R., Yang, Tai-Ni, He, Lilin

Journal:

Journal of Alloys and Compounds

Year:

2013

Language:

english

File:

PDF, 350 KB

english, 2013

20

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

Garnier, Thomas, Trinkle, Dallas R., Nastar, Maylise, Bellon, Pascal

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 2.17 MB

english, 2014

21

Direct Measurement of Hydrogen Dislocation Pipe Diffusion in Deformed Polycrystalline Pd Using Quasielastic Neutron Scattering

Heuser, Brent J., Trinkle, Dallas R., Jalarvo, Niina, Serio, Joseph, Schiavone, Emily J., Mamontov, Eugene, Tyagi, Madhusudan

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 420 KB

english, 2014

22

Direct Diffusion through Interpenetrating Networks: Oxygen in Titanium

Wu, Henry H., Trinkle, Dallas R.

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 1.50 MB

english, 2011

23

Au/TiO 2 (110) Interfacial Reconstruction Stability from ab Initio

Yu, Min, Trinkle, Dallas R.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.64 MB

english, 2011

24

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

Garnier, Thomas, Manga, Venkateswara R., Bellon, Pascal, Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 696 KB

english, 2014

25

[IEEE 2008 DoD HPCMP Users Group Conference - Seattle, WA, USA (2008.07.14-2008.07.17)] 2008 DoD HPCMP Users Group Conference - Ab-initio Molecular Dynamics Simulations of Molten Ni-Based Superalloys

Woodward, Christopher, Asta, Mark., Trinkle, Dallas R., Lill, James, Angioletti-Uberti, Stefano

Year:

2008

Language:

english

File:

PDF, 987 KB

english, 2008

26

[IEEE 2006 HPCMP Users Group Conference (HPCMP-UGC'06) - Denver, CO, USA (2006.06.26-2006.06.29)] 2006 HPCMP Users Group Conference (HPCMP-UGC'06) - Ab-Initio Molecular Dynamics Simulations of Molten Ni-Based Superalloys

Asta, Mark, Trinkle, Dallas, Woodward, Christopher

Year:

2006

Language:

english

File:

PDF, 644 KB

english, 2006

27

Calculation of strain effects on vacancy-mediated diffusion of impurities in fcc structures: General approach and application to

Garnier, Thomas, Li, Zebo, Nastar, Maylise, Bellon, Pascal, Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

28

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

Trinkle, Dallas R., Ju, Hyunsu, Heuser, Brent J., Udovic, Terrence J.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 281 KB

english, 2011

29

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

Lawler, Hadley M., Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 287 KB

english, 2010

30

O to 22 GPa: A test of the Leibfried-Schlömann equation

Chen, Bin, Hsieh, Wen-Pin, Cahill, David G., Trinkle, Dallas R., Li, Jie

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 189 KB

english, 2011

31

Solute drag by vacancies in body-centered cubic alloys

Garnier, Thomas, Nastar, Maylise, Bellon, Pascal, Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 3.04 MB

english, 2013

32

Ab initio simulations of molten Ni alloys

Woodward, Christopher, Asta, Mark, Trinkle, Dallas R., Lill, James, Angioletti-Uberti, Stefano

Journal:

Journal of Applied Physics

Year:

2010

Language:

english

File:

PDF, 593 KB

english, 2010

33

Foreword

Morrow, Benjamin M., Mathaudhu, Suveen N., Cerreta, Ellen K., Pablo Escobedo-Diaz, J., Trinkle, Dallas R.

Journal:

Metallurgical and Materials Transactions A

Year:

2014

Language:

english

File:

PDF, 77 KB

english, 2014

34

Energetics of Rutile TiO 2 Vicinal Surfaces with ⟨001⟩ Steps from the Energy Density Method

Lee, Bora, Trinkle, Dallas R.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.68 MB

english, 2015

35

Importance of coordination number and bond length in titanium revealed by electronic structure investigations (Phys. Status Solidi B 9/2015)

Huang, Liang-Feng, Grabowski, Blazej, McEniry, Eunan, Trinkle, Dallas R., Neugebauer, Jörg

Journal:

physica status solidi (b)

Year:

2015

File:

PDF, 1.34 MB

2015

36

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

Kim, Hyojung, Trinkle, Dallas R.

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 758 KB

english, 2016

37

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

Hohensee, Gregory T., Fellinger, Michael R., Trinkle, Dallas R., Cahill, David G.

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 548 KB

english, 2015

38

Oxygen diffusion in hcp metals from first principles

Wu, Henry H., Wisesa, Pandu, Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.21 MB

english, 2016

39

Kinetic Monte Carlo investigation of tetragonal strain on Onsager matrices

Li, Zebo, Trinkle, Dallas R.

Journal:

Physical Review E

Year:

2016

Language:

english

File:

PDF, 466 KB

english, 2016

40

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

Huang, Liang-Feng, Grabowski, Blazej, McEniry, Eunan, Trinkle, Dallas R., Neugebauer, Jörg

Journal:

physica status solidi (b)

Year:

2015

Language:

english

File:

PDF, 3.44 MB

english, 2015

41

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

Trinkle, Dallas R.

Journal:

Philosophical Magazine

Year:

2016

Language:

english

File:

PDF, 1.88 MB

english, 2016

42

Computation of the lattice Green function for a dislocation

Tan, Anne Marie Z., Trinkle, Dallas R.

Journal:

Physical Review E

Year:

2016

Language:

english

File:

PDF, 954 KB

english, 2016

43

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

Agarwal, Ravi, Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016

44

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

Schiavone, Emily J., Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 937 KB

english, 2016

45

First principles calculations of beryllium stability in zirconium surfaces

Jain, Abhinav C.P., Trinkle, Dallas R.

Journal:

Acta Materialia

Year:

2017

Language:

english

File:

PDF, 3.67 MB

english, 2017

46

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

Fellinger, Michael R., Hector, Louis G., Trinkle, Dallas R.

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 865 KB

english, 2017

47

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

Fellinger, Michael R., Hector Jr., Louis G., Trinkle, Dallas R.

Journal:

Year:

2017

Language:

english

File:

PDF, 133 KB

english, 2017

48

Exact Model of Vacancy-Mediated Solute Transport in Magnesium

Agarwal, Ravi, Trinkle, Dallas R.

Journal:

Physical Review Letters

Year:

2017

Language:

english

File:

PDF, 988 KB

english, 2017

49

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

Trinkle, Dallas R.

Journal:

Philosophical Magazine

Year:

2017

Language:

english

File:

PDF, 4.06 MB

english, 2017

50

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

Li, Zebo, Trinkle, Dallas R.

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 5.18 MB

english, 2017