University of Minnesota
University of Minnesota: Department of Mechanical Engineering
http://www.me.umn.edu/

Traian Dumitricã Publications

Edited Books

Trends in Computational Nanomechanics: Transcending Length and Time Scales (Series: Challenges and Advances in Computational Chemistry and Physics, Vol. 9) p. 620, Springer (2010), Traian Dumitrica, Editor.

Selected Journal Articles

E. Akatyeva and T. Dumitrică, Nanoscale Twisting of Graphene Nanoribbons (manuscript available upon request).

I. Nikiforov, B. Hourahine, B. Aradi, Th. Frauenheim, and T. Dumitrică*, Ewald Summation on A Helix: A Route to Self-Consistent Charge Density-Functional Based Tight-Binding Objective Molecular Dynamics (manuscript available upon request).

I. Ostanin, R. Ballarini, D. Potyondy, and T. Dumitrică*, A Distinct Element Method for Large Scale Simulations of Carbon Nanotube Assemblies, Journal of the Mechanics and Physics of Solids 61, 762- 782 (2013).

E. Akatyeva and T. Dumitrică*, Chiral Graphene Nanoribbons: Objective Molecular Dynamics Simulations and Phase-Transition Modeling, The Journal of Chemical Physics 23, 234702 (2012).

E. Akatyeva, L. Kou, I. Nikiforov, Th. Frauenheim, and T. Dumitrică*, Electrically-Active Screw Dislocations in Twisted ZnO and Si Nanowires and Nanotubes, ACS Nano 6, 10042–10049 (2012).

E. Akatyeva and T. Dumitrică*, Eshelby Twist and Magic Helical Zinc Oxide Nanowires and Nanotubes, Physical Review Letters 109, 035501 (2012).

I. Nikiforov, D.-M. Tang, X. Wei, T. Dumitrica*, and D. Golberg, Nanoscale Bending of Multilayered Boron Nitride and Graphene Ribbons: Experiment and Objective Molecular Dynamics Calculations, Physical Review Letters 109, 025504 (2012).

L.Tapasztó, T. Dumitrică, K.J. Yoo, P. Nemes-Incze, C.Y. Hwang, and L.P. Biró, Breakdown of Continuum Mechanics for Nanometre-wavelength Rippling of Graphene, Nature Physics 8, 739 (2012).

E. Akatyeva, L. Kou, I. Nikiforov, Th. Frauenheim, and T. Dumitrică, Electrically-Active Screw Dislocations in Twisted ZnO and Si Nanowires and Nanotubes, ACS Nano 6, 10042–10049 (2012).

E. Akatyeva and T. Dumitrică, Eshelby Twist and Magic Helical Zinc Oxide Nanowires and Nanotubes,  Phys. Rev. Lett. 109, 035501 (2012).

Ilia Nikiforov, Dai-Ming Tang, Xianlong Wei, Traian Dumitricǎ, and Dmitri Golberg, Nanoscale Bending of Multilayered Boron Nitride and Graphene Ribbons: Experiment and Objective Molecular Dynamics Calculations, Phys. Rev. Lett. 109, 025504 (2012).

T. Dumitrica, S. Kodambaka, S. Jun, Synthesis, Electromechanical Characterization, and Applications of Graphene Nanostructures, Journal of Nanophotonics 6, 019901 (2012).

D.-B. Zhang and T. Dumitrica, Role of the Effective Tensile Strain in the Electromechanical Response of Helical Graphene Nanoribbons with Open and Closed Edges, Physical Review B 85, 035445 (2012).

L.M. Hale, D.-B. Zhang, X. Zhou, J.A. Zimmerman, N.R. Moody, T. Dumitrica, R. Ballarini, and W.W. Gerberich, Dislocation Morphology and Nucleation within Compressed Si Nanospheres: A Molecular Dynamics Study, Computational Materials Science 54, 280 (2012).

A. Mittal, D.-B. Zhang, C. Teresi, T. Dumitrica, and A.K. Mkhoyan, Routes to Identification of Intrinsic Twist in Helical MoS2 Nanotubes by Electron Diffraction and Annular Dark-Field Scanning Transmission Electron Microscopy Imaging, Physical Review B 84, 153401 (2011).

I. Nikiforov, D.-B. Zhang, and T. Dumitrica, Screw Dislocation in 100 Silicon Nanowires: An Objective Molecular Dynamics Study, The Journal of Physical Chemistry Letters 2, 2544 (2011).

D.-B. Zhang, E. Akatyeva, and T. Dumitrica, Helical BN and ZnO Nanotubes with Intrinsic Twisting: An Objective Molecular Dynamics Study, Physical Review B 84, 115431 (2011).

D.-B. Zhang, and T. Dumitrica, The Role of Peierls-like Distortions in the Modification of Electronic Bandgaps of Graphene Nanoribbons under Uniaxial Strain, The Journal of Chemical Physics [Letter to the Editor: Note] 134, 196101 (2011).

D.-B. Zhang, E. Akatyeva, and T. Dumitrică, Bending Ultra-Thin Graphene at the Margins of Continuum Mechanics, Physical Review Letters 106, 255503 (2011).

D.-B. Zhang and T. Dumitrica, Effective Tensional-Strain Driven Band-GapvModulations in Helical Graphene Nanoribbons, Small 7, 1023 (2011).

D. Teich, T. Lorenz, J.-O. Joswig, G. Seifert, D.-B. Zhang, and T. Dumitrica, Structural and Electronic Properties of Helical TiS2 Nanotubes Studied with Objective Molecular Dynamics, The Journal of  Physical Chemistry C 115, 6392 (2011).

D.-B. Zhang and T. Dumitrica, Effective Shear Strain in Helical Rippled Carbon Nanotubes: A Unifying  Concept for Understanding Electromechanical Response, ACS Nano 4, 6966 (2010).

T. Anderson, E. Akatyeva, I. Nikiforov, D. Potyondy, R. Ballarini, and T. Dumitrica, Toward Distinct Element Method Simulations of Carbon Nanotube Systems, ASME Journal of Nanotechnology in Engineering and Medicine 1, 041009 (2010).

D.-B. Zhang and T. Dumitrică, Effective Shear-Strain Driven Electromechanical Response in Helical Rippled Carbon Nanotubes, Physical Review B 82, 193401 (2010).

E. Akatyeva, J.Y. Huang, and T. Dumitrica, Edge-mediated Dislocation Processes in Multishell Carbon Nano-Onions?, Physical Review Letters 105, 106102 (2010).

I. Nikiforov, D.-B. Zhang, R. D. James, and T. Dumitricã, "Wavelike Rippling in Multiwalled Carbon Nanotubes under Pure Bending" Appl. Phys. Lett. 96, 123107 (2010).
D.-B. Zhang, T. Dumitricã, and G. Seifert, Helical Nanotube Structures of MoS2 with Intrinsic Twisting: An Objective Molecular Dynamics Study, Physical Review Letters 104, 065502 (2010).

D.-B. Zhang and T. Dumitricã, Modulating the Optical and Electronic Properties of Highly Symmetric Si Quantum Dots, Nanotechnology 20, 445401 (2009).

D.-B. Zhang, R.D. James, and T. Dumitricã, "Electromechanical Characterization of Carbon Nanotubes under Torsion vis Symmetry-Adapted Tight-Binding Objective Molecular Dynamics, Phisical Review B80, 1115418 (2009).

D.-B. Zhang, R.D. James, and T. Dumitricã, "Dislocation Onset and Nearly-Axial Glide in Carbon Nanotubes under Torsion", Journal of Chemical Physics [Communication] 130, 071101 (2009).

M. Suri and T. Dumitrica, "Efficient sticking of surface-passivated Si nanospheres via phase-transition plasticity", Physical Review B Rapid Communication 78, 081405 (2008).

D.-B. Zhang and T. Dumitricã, Elasticity of Ideal Single-Walled Carbon Nanotubes via Symmetry-Adapted Tight-Binding Objective Modeling, Applied Physics Letters 93, 031919 (2008).

D.-B. Zhang, M. Hua, and T. Dumitricã, Stability of Polycrystalline and Wurtzite Si Nanowires via Symmetry-Adapted Tight-Binding Objective Molecular Dynamics, Journal of Chemical Physics 128, 084104 (2008).

P. Valentini and T. Dumitricã, Molecular Dynamics Simulations of Nanoparticle­Surface Collisions in Crystalline Silicon, Journal of Nano Research 1, 23 (2008).

P. Valentini, W. W. Gerberich, and T. Dumitricã, Phase Transition Plasticity Response in Uniaxially Compressed Silicon Nanospheres, Physical Review Letters 99 (2007).

S.G. Hao, D.-B. Zhang, and T. Dumitricã, "Effect of Small Shape Changes on the Optical Response of Highly Symmetric Silicon Quantum Dots," Physical Review B "Rapid Communications" 76, 081305 (2007).

T. Dumitricã, "Bismuth under Intense Laser Pulses: A Fano-like Interference Description," Journal of Physics: Condensed Matter 19, 181003 (2007).

P. Valentini and T. Dumitricã, "Microscopic Theory for Nanoparticle-Surface Collisions in Crystalline Silicon," Physical Review B 22, 224106 (2007).

T. Dumitricã and R.D. James, "Objective Molecular Dynamics," Journal of the Mechanics and Physics of Solids 55, 2237 (2007).

A. Carlson and T. Dumitricã, "Extended Tight-Binding Potential for Modeling Intertube Interactions in Carbon Nanotubes," Nanotechnology 18, 065706 (2007).

T. Dumitricã, M.E. Garcia, H.O. Jeschke, and B.I. Yakobson, "Breathing Coherent Phonons and Caps Fragmentation in Carbon Nanotubes Following Ultrafast Laser Pulses," Physical Review B 74, 193406 (2006).

T. Dumitricã, M. Hua, and B.I. Yakobson, "Symmetry, Time, and Temperature Dependent Strength of Carbon Nanotubes," Proceedings of the National Academy of Sciences of the United States of America 103, 6105 (2006).

T. Dumitricã, and B.I. Yakobson, "Rate Theory of Yield in Boron Nitride Nanotubes," Physical Review B 72, 035418 (2005).

T. Dumitricã, M. Hua, and B. I. Yakobson, "Endohedral silicon nanotubes as thinnest silicide wires," Physical Review B (R), 2004. 70(24): p. 241303-4.

T. Dumitricã and B. I. Yakobson, "Strain-rate and temperature dependent plastic yield in carbon nanotubes from ab initio calculations," Applied Phys. Lett., 2004. 84(15): p. 2775-2777.

T. Dumitricã, et al., " Selective cap opening in carbon nanotubes driven by laser-induced coherent phonons," Physical Review Lett., 2004. 92(11): p. 117401-4.

T. Dumitricã, T. Belytschko, and B. I. Yakobson, "Bond-breaking bifurcation states in carbon nanotube fracture." Journal Chem. Phys., 2003. 118(21): p. 9485-9488.

T. Dumitricã, et al., " Thermodynamics of yield in boron nitride nanotubes," Physical Review B, 2003. 68(8):
p. 085412-8.

T. Dumitricã, C. M. Landis, and B. I. Yakobson, "Curvature-induced polarization in carbon nanoshells," Chem. Phys. Lett., 2002. 360(1-2): p. 182-188.

T. Dumitricã and R. E. Allen, "Femtosecond-scale response of GaAs to ultrafast laser pulses," Physical Review B (R), 2002. 66: p. 081202-4.

H. F. Bettinger, T. Dumitricã, G.E. Scuseria and B. I. Yakobson, "Mechanically induced defects and strength of BN nanotubes," Physical Review B (R) 2002. 65(4): p. 041406-4.

Book Chapters

B. I. Yakobson and T. Dumitricã, Nanomechanics: Physics between Engineering and Chemistry, in Trends in Nanoscale Mechanics, V. Harik and M.D. Salas, Editors. 2003, Kluwer Academic: Boston. p. 3-33.

R. E. Allen, T. Dumitrcã, and B. Torralva, Electronic and structural response of materials to fast, intense laser pulses, in Ultrafast Physical Processes in Semiconductors, K. T. Tsen, Editor. 2001, Academic Press: San Diego. p. 315-388.