List of works - Traian Dumitrica

Bending ultrathin graphene at the margins of continuum mechanics

scientific article published on 24 June 2011

Bismuth under intense laser pulses: a Fano-like interference description.

scientific article

Chiral graphene nanoribbons: Objective molecular dynamics simulations and phase-transition modeling

scientific article published on 01 December 2012

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

scientific article published on 01 March 2020

Dislocation onset and nearly axial glide in carbon nanotubes under torsion

scientific article published on 01 February 2009

Edge-mediated dislocation processes in multishell carbon nano-onions?

scientific article published on 01 September 2010

Effective Strain in Helical Rippled Carbon Nanotubes: A Unifying Concept for Understanding Electromechanical Response ⬇️

scientific article published on October 14, 2010

Effective‐Tensional‐Strain‐Driven Bandgap Modulations in Helical Graphene Nanoribbons ⬇️

scientific article published on March 29, 2011

Electrically Active Screw Dislocations in Helical ZnO and Si Nanowires and Nanotubes

scientific article published on 16 October 2012

Enhancing the Elasticity of Ultrathin Single-Wall Carbon Nanotube Films with Colloidal Nanocrystals.

scientific article

Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]

correction of a scholarly article

Eshelby twist and magic helical zinc oxide nanowires and nanotubes

scientific article published on 16 July 2012

Ewald summation on a helix: A route to self-consistent charge density-functional based tight-binding objective molecular dynamics.

scientific article published in September 2013

Excluded Volume Approach for Ultrathin Carbon Nanotube Network Stabilization: A Mesoscopic Distinct Element Method Study.

scientific article published on 27 March 2017

First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO<sub>3</sub>

scientific article published in 2021

Formation of Helices in Graphene Nanoribbons under Torsion.

scientific article published on 14 November 2014

Helical nanotube structures of MoS2 with intrinsic twisting: an objective molecular dynamics study

scientific article published on 11 February 2010

Modulating the optical and electronic properties of highly symmetric Si quantum dots

scientific article published on 07 October 2009

Multitemperature Modeling of Thermal Transport across a Au–GaN Interface from <i>Ab Initio</i> Calculations

scientific article published in 2022

Nanomechanics of Twisted Mono- and Few-Layer Graphene Nanoribbons.

scientific article published on 3 June 2013

Nanoscale bending of multilayered boron nitride and graphene ribbons: experiment and objective molecular dynamics calculations

scientific article published on 11 July 2012

Nanowires with dislocations for ultralow lattice thermal conductivity.

scientific article published on 23 March 2016

Note: the role of Peierls-like distortions in the modification of electronic bandgaps of graphene nanoribbons under uniaxial strain

scientific article published on 01 May 2011

One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport

scientific article published on 24 February 2020

Phase-transition plasticity response in uniaxially compressed silicon nanospheres.

scientific article published on 26 October 2007

Quantum mechanical rippling of a MoS2 monolayer controlled by interlayer bilayer coupling.

scientific article published on 10 February 2015

Rings and rackets from single-wall carbon nanotubes: manifestations of mesoscale mechanics.

scientific article published in November 2014

Selective cap opening in carbon nanotubes driven by laser-induced coherent phonons

scientific article published on 16 March 2004

Symmetry-, time-, and temperature-dependent strength of carbon nanotubes.

scholarly article

Thermal Transport across Surfactant Layers on Gold Nanorods in Aqueous Solution

scientific article

Thermal transport along the dislocation line in silicon carbide

scientific article published on 18 September 2014

Thermally-active screw dislocations in Si nanowires and nanotubes

scientific article published on 27 February 2014

Zig-zag twins and helical phase transformations.

scientific article published on April 2016

List of works by Traian Dumitrica

Bending ultrathin graphene at the margins of continuum mechanics

Bismuth under intense laser pulses: a Fano-like interference description.

Chiral graphene nanoribbons: Objective molecular dynamics simulations and phase-transition modeling

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

Dislocation onset and nearly axial glide in carbon nanotubes under torsion

Edge-mediated dislocation processes in multishell carbon nano-onions?

Effective Strain in Helical Rippled Carbon Nanotubes: A Unifying Concept for Understanding Electromechanical Response ⬇️

Effective‐Tensional‐Strain‐Driven Bandgap Modulations in Helical Graphene Nanoribbons ⬇️

Electrically Active Screw Dislocations in Helical ZnO and Si Nanowires and Nanotubes

Enhancing the Elasticity of Ultrathin Single-Wall Carbon Nanotube Films with Colloidal Nanocrystals.

Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]

Eshelby twist and magic helical zinc oxide nanowires and nanotubes

Ewald summation on a helix: A route to self-consistent charge density-functional based tight-binding objective molecular dynamics.

Excluded Volume Approach for Ultrathin Carbon Nanotube Network Stabilization: A Mesoscopic Distinct Element Method Study.

First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO<sub>3</sub>

Formation of Helices in Graphene Nanoribbons under Torsion.

Helical nanotube structures of MoS2 with intrinsic twisting: an objective molecular dynamics study

Modulating the optical and electronic properties of highly symmetric Si quantum dots

Multitemperature Modeling of Thermal Transport across a Au–GaN Interface from <i>Ab Initio</i> Calculations

Nanomechanics of Twisted Mono- and Few-Layer Graphene Nanoribbons.

Nanoscale bending of multilayered boron nitride and graphene ribbons: experiment and objective molecular dynamics calculations

Nanowires with dislocations for ultralow lattice thermal conductivity.

Note: the role of Peierls-like distortions in the modification of electronic bandgaps of graphene nanoribbons under uniaxial strain

One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport

Phase-transition plasticity response in uniaxially compressed silicon nanospheres.

Quantum mechanical rippling of a MoS2 monolayer controlled by interlayer bilayer coupling.

Rings and rackets from single-wall carbon nanotubes: manifestations of mesoscale mechanics.

Selective cap opening in carbon nanotubes driven by laser-induced coherent phonons

Symmetry-, time-, and temperature-dependent strength of carbon nanotubes.

Thermal Transport across Surfactant Layers on Gold Nanorods in Aqueous Solution

Thermal transport along the dislocation line in silicon carbide

Thermally-active screw dislocations in Si nanowires and nanotubes

Zig-zag twins and helical phase transformations.