Related papers: Thermal rectifier from deformed carbon nanohorns
Using large scale molecular dynamics simulations, we study the thermal conductivity of bare and surface passivated silicon nanowires (SiNWs). For the cross-sectional widths $w \le 2$ nm, SiNWs become unstable because of the surface…
We perform classical molecular dynamics simulations to investigate the mechanical compression effect on the thermal conductivity of the single-walled carbon nanotube (SWCNT) forest, in which SWCNTs are closely aligned and parallel with each…
We have studied the thermal properties of bended graphene nanoribbons (GNRs) using nonequilibrium molecular dynamics simulations. The thermal conductivity of bended GNRs shows a non-monotonous relationship with the bending angle, due to the…
We investigate the effects of chirality on phonon thermal transport in semiconducting chiral single-walled carbon nanotubes (SWCNTs) using lattice dynamics combined with Boltzmann transport theory. We find that transverse acoustic and…
Rectification, the preferential transport of a current in one direction through a system, has garnered significant attention in molecules because of its importance for controlling thermal and electronic currents at the nanoscale. Here, we…
This paper examines the effect of temperature on the structural stability and mechanical properties of 20 layered (10,10) single walled carbon nanotubes (SWCNTs) under tensile loading using an O(N) tight binding molecular dynamics (TBMD)…
Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…
Thermal conductivity of aligned polymer molecules can be exceptionally high along the alignment direction due to energy transport through strong covalent bonds. At the same time, it is highly sensitive to molecular conformation, varying by…
Magnetic particle hyperthermia, in which colloidal nanostructures are exposed to an alternating magnetic field, is a promising approach to cancer therapy. Unfortunately, the clinical efficacy of hyperthermia has not yet been optimized.…
Using all atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few atomic layer CdS shell on the ZnS nanowire leads to a significant…
Thermal rectification in heat conduction problems has been extensively studied in planar slabs. Here we consider the rectification problem in planar, cylindrical and spherical geometries involving two layers one of which has a temperature…
Semiconducting single-wall carbon nanotubes (s-SWNTs) have proved to be promising material for nanophotonics and optoelectronics. Due to the possibility of tuning their direct band gap and controlling excitonic recombinations in the…
Current methods for producing single-walled carbon nanotubes (SWNTs) lead to heterogeneous samples containing mixtures of metallic and semiconducting species with a variety of lengths and defects. Optical detection at the single nanotube…
A novel photonic thermal diode concept operating in the near field and capitalizing on the temperature-dependence of coupled surface polariton modes in nanostructures is proposed. The diode concept utilizes terminals made of the same…
The thermal radiation from an isolated finite-length carbon nanotube (CNT) is theoretically investigated both in near- and far-field zones. The formation of the discrete spectrum in metallic CNTs in the terahertz range is demonstrated due…
The realization of phononic computing is held hostage by the lack of high performance thermal devices. Here we show through theoretical analysis and molecular dynamics simulations that unprecedented thermal rectification factors (as large…
Based on the non-equilibrium molecular dynamics simulations, we have studied the thermal conductivities of a novel ultra-thin one-dimensional carbon nanomaterial - diamond nanothread (DNT). Unlike single-wall carbon nanotube (CNT), the…
High bias electrical transport characteristics of freely suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at 250-400K in vacuum and various gases. Self-heating is exploited to examine the temperature dependence of…
In this work we study the asymmetric heat flow, i.e., thermal rectification, of a one-dimensional, mass-graded system consisting of acoupled harmonic oscillator lattice (ballistic spacer) and two diffusive leads attached to the boundaries…
We study heat current autocorrelation function and thermal conductivity in core-shell nanowires by using molecular dynamics simulations. Interestingly, a remarkable oscillation effect in heat current autocorrelation function is observed in…