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All-carbon heterostructures have been produced recently via focused ion beam patterning of single layer graphene. Amorphized graphene is similar to a graphene sheet in which some hexagons are replaced by a combination of pentagonal,…

Materials Science · Physics 2017-04-07 B Mortazavi , Z Fan , LFC Pereira , A Harju , T Rabczuk

We theoretically calculate the phonon scattering limited electron mobility in extrinsic (i.e. gated or doped with a tunable and finite carrier density) 2D graphene layers as a function of temperature $(T)$ and carrier density $(n)$. We find…

Mesoscale and Nanoscale Physics · Physics 2008-05-12 E. H. Hwang , S. Das Sarma

The wave property of phonons is employed to explore the thermal transport across a finite periodic array of nano-scatterers such as circular and triangular holes. As thermal phonons are generated in all directions, we study their…

Mesoscale and Nanoscale Physics · Physics 2015-12-23 Thu Trang Nghiem Thi , P. -Olivier Chapuis

We investigated theoretically the phonon thermal conductivity of single layer graphene. The phonon dispersion for all polarizations and crystallographic directions in graphene lattice was obtained using the valence-force field method. The…

Materials Science · Physics 2009-04-08 D. L. Nika , E. P. Pokatilov , A. S. Askerov , A. A. Balandin

The phonon thermal conductivity of a multilayer is calculated for transport perpendicular to the layers. There is a cross over between particle transport for thick layers to wave transport for thin layers. The calculations shows that the…

Materials Science · Physics 2009-10-31 M. V. Simkin , G. D. Mahan

The phonon thermal transport properties of twisted bi-layer graphene are investigated using lattice dynamics and the Boltzmann transport equation. The thermal conductivities of 13.2 and 21.8 twisted configurations are 56% and 36% lower than…

Mesoscale and Nanoscale Physics · Physics 2023-11-07 Shahid Ahmed , Shadab Alam , Ankit Jain

The thermal conductivity of monolayer graphene is an outstanding challenge with no consensus reached on its exact value and length convergence so far. We consider four-phonon scattering, phonon renormalization, and an exact solution to…

Mesoscale and Nanoscale Physics · Physics 2023-10-02 Zherui Han , Xiulin Ruan

Properties of phonons - quanta of the crystal lattice vibrations - in graphene have attracted strong attention of the physics and engineering communities. Acoustic phonons are the main heat carriers in graphene near room temperature while…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Denis L. Nika , Alexander A. Balandin

We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the…

Materials Science · Physics 2013-08-08 Luiz Felipe C. Pereira , Davide Donadio

The lattice thermal conductivity and thermal transport properties of 2D $\alpha$-selenene are investigated based on the first-principles calculations. The isotropic in-plane thermal conductivity is as low as 3.04 W m$^{-1}$ K$^{-1}$ at room…

Computational Physics · Physics 2020-01-30 Gang Liu , Zhibin Gao , Guo-Ling Li , Hui Wang

Heat conduction in graphite has been studied for decades because of its exceptionally large thermal anisotropy. While the bulk thermal conductivities along the in-plane and cross-plane directions are well known, less understood are the…

Mesoscale and Nanoscale Physics · Physics 2016-04-20 Hang Zhang , Xiangwen Chen , Young-Dahl Jho , Austin J. Minnich

It has been proposed for a long time now that the reduction of the thermal conductivity by reducing the phonon mean free path is one of the best way to improve the current performance of thermoelectrics. By measuring the thermal conductance…

We investigate the influence of grain boundaries (GBs), line defects (LDs), and chirality on thermal transport in graphene using non-equilibrium Green's functions. At room temperature the ballistic thermal conductance is ~4.2 GW/m^2/K, and…

Materials Science · Physics 2013-02-22 Andrey Y. Serov , Zhun-Yong Ong , Eric Pop

The thermal conductivity study on the pyrochlore structured ceramics is important for utilization of these materials as an inert matrix fuel, electrolytes for oxide fuel cell and thermal barrier coating. The impact of porosity, structural…

Materials Science · Physics 2022-11-01 Yogendar Singh , Vivek Kumar , Saurabh Kumar Sharma , Pawan Kumar Kulriya

The lattice thermal conductivity of the candidate thermoelectric material Mg$_3$Sb$_2$ is studied from first principles, with the inclusion of anharmonic, isotope, and boundary scattering processes, and via an accurate solution of the…

Materials Science · Physics 2018-12-11 Maria Barbara Maccioni , Roberta Farris , Vincenzo Fiorentini

We studied the thermal conductivity of graphene phononic crystal (GPnC), also named as graphene nanomesh, by molecular dynamics simulations. The dependences of thermal conductivity of GPnCs on both length and temperature are investigated.…

Materials Science · Physics 2015-12-07 Lina Yang , Jie Chen , Nuo Yang , Baowen Li

Nano-engineering crystalline materials can be used to tailor their thermal properties. By adding new nanoscale phonon scattering centers and controlling their size, one can effectively decrease the phonon mean free path and hence the…

The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Wei-Rong Zhong , Mao-Ping Zhang , Bao-Quan Ai , Dong-Qin Zheng

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…

Materials Science · Physics 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

The thermal conductivity of suspended single-layer graphene was measured as a function of temperature using Raman scattering spectroscopy on clean samples prepared directly on a prepatterned substrate by mechanical exfoliation without…

Mesoscale and Nanoscale Physics · Physics 2011-03-18 Jae-Ung Lee , Duhee Yoon , Hakseong Kim , Sang Wook Lee , Hyeonsik Cheong