Nonlinear thermal transport and negative differential thermal conductance in graphene nanoribbons

We employ classical molecular dynamics to study the nonlinear thermal transport in graphene nanoribbons (GNRs). For GNRs under large temperature biases beyond linear response regime, we have observed the onset of negative differential thermal conductance (NDTC). NDTC is tunable by varying the manner of applying the temperature biases. NDTC is reduced and eventually disappears when the length of the GNR increases. We have also observed NDTC in triangular GNRs, where NDTC exists only when the heat current is from the narrower to the wider end. These effects may be useful in nanoscale thermal managements and thermal signal processing utilizing GNRs.Comment: 5 pages, 4 figure

Compressive mechanical response of graphene foams and their thermal resistance with copper interfaces

We report compressive mechanical response of graphene foams (GFs) and the thermal resistance ($R_{TIM}$) between copper (Cu) and GFs, where GFs were prepared by the chemical vapor deposition (CVD) method. We observe that Young's modulus ($E_{GF}$) and compressive strength ($\sigma_{GF}$) of GFs have a power law dependence on increasing density ($\rho_{GF}$) of GFs. The maximum efficiency of absorbed energy ($\eta_{max}$) for all GFs during the compression is larger than ~0.39. We also find that a GF with a higher $\rho_{GF}$ shows a larger $\eta_{max}$. In addition, we observe that the measured $R_{TIM}$ of Cu/GFs at room temperature with a contact pressure of 0.25 MP applied increases from ~50 to ~90 $mm^2K/W$ when $\rho_{GF}$ increases from 4.7 to 31.9 $mg/cm^3$

Prediction of Spectral Phonon Mean Free Path and Thermal Conductivity with Applications to Thermoelectrics and Thermal Management: A Review

We give a review of the theoretical approaches for predicting spectral phonon mean free path and thermal conductivity of solids. The methods can be summarized into two categories: anharmonic lattice dynamics calculation and molecular dynamics simulation. In the anharmonic lattice dynamics calculation, the anharmonic force constants are used first to calculate the phonon scattering rates, and then the Boltzmann transport equations are solved using either standard single mode relaxation time approximation or the Iterative Scheme method for the thermal conductivity. The MD method involves the time domain or frequency domain normal mode analysis. We present the theoretical frameworks of the methods for the prediction of phonon dispersion, spectral phonon relaxation time, and thermal conductivity of pure bulk materials, layer and tube structures, nanowires, defective materials, and superlattices. Several examples of their applications in thermal management and thermoelectric materials are given. The strength and limitations of these methods are compared in several different aspects. For more efficient and accurate predictions, the improvements of those methods are still needed

Tuning the thermal conductivity of graphene nanoribbons by edge passivation and isotope engineering: a molecular dynamics study

Using classical molecular dynamics simulation, we have studied the effect of edge-passivation by hydrogen (H-passivation) and isotope mixture (with random or supperlattice distributions) on the thermal conductivity of rectangular graphene nanoribbons (GNRs) (of several nanometers in size). We found that the thermal conductivity is considerably reduced by the edge H-passivation. We also find that the isotope mixing can reduce the thermal conductivities, with the supperlattice distribution giving rise to more reduction than the random distribution. These results can be useful in nanoscale engineering of thermal transport and heat management using GNRs.Comment: 4 pages, 4 figure