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Graphene is well known for its extraordinary mechanical properties combining brittleness and ductility. While most mechanical studies of graphene focused on the strength and brittle fracture behavior, its ductility, plastic deformation, and…

Materials Science · Physics 2021-12-23 Wenquan Zhou , Jincheng Wang , Bo Lin , Zhijun Wang , Junjie Li , Zhi-Feng Huang

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

We reveal that phononic thermal transport in graphene is not immune to grain boundaries (GBs) aligned along the direction of the temperature gradient. Non-equilibrium molecular dynamics simulations uncover a large reduction in the phononic…

Mesoscale and Nanoscale Physics · Physics 2021-04-12 Zhen Tong , Alessandro Pecchia , ChiYung Yam , Traian Dumitricǎ , Thomas Frauenheim

Graphene, in addition to its unique electronic and optical properties, revealed unusually high thermal conductivity. The fact that thermal conductivity of large enough graphene sheets should be higher than that of basal planes of bulk…

Graphene grain boundaries are known to affect phonon transport and thermal conductivity, suggesting that they may be used to engineer the phononic properties of graphene. Here, the effect of two buckled grain boundaries on long-wavelength…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Edit E. Helgee , Andreas Isacsson

Based on first-principles calculations and full iterative solution of the linearized Boltzmann-Peierls transport equation for phonons within three-phonon scattering framework, we characterize the lattice thermal conductivities $\kappa$ of…

Materials Science · Physics 2015-06-30 Youdi Kuang , Lucas Lindsay , Sanqiang Shi , Xinjiang Wang , Ruiqiang Guo , Baoling Huang

In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…

Materials Science · Physics 2024-12-25 Archishman Gupta , Ankit Arora

We describe Raman spectroscopy based method of measuring thermal conductivity of thin films, and review significant results achieved with this technique pertinent to graphene and other two-dimensional materials. The optothermal Raman method…

Mesoscale and Nanoscale Physics · Physics 2019-03-18 Hoda Malekpour , Alexander A. Balandin

Graphene on ferroelectric structures can be promising candidates for advanced field effect transistors, modulators and electrical transducers, providing that research of their electrotransport and electromechanical performances can be…

Applied Physics · Physics 2018-04-11 Anna N. Morozovska , Anatolii I. Kurchak , Zhanna G. Zemska , Maksym V. Strikha

The authors report on synthesis and thermal properties of the electrically-conductive thermal interface materials with the hybrid graphene-metal particle fillers. The thermal conductivity of resulting composites was increased by ~500% in a…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Vivek Goyal , Alexander A. Balandin

By using non-equilibrium molecular dynamics simulations(NEMD), the modulation on temperature dependence of thermal conductivity of graphene phononic crystals (GPnCs) are investigated. It is found that the temperature dependence of thermal…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 Shiqian Hu , Meng An , Nuo Yang , Baowen Li

During the fabrication process of large scale silicene through common chemical vapor deposition (CVD) technique, polycrystalline films are quite likely to be produced, and the existence of Kapitza thermal resistance along grain boundaries…

Computational Physics · Physics 2019-06-12 Maryam Khalkhali , Ali Rajabpour , Farhad Khoeini

We have investigated the grain boundary scattering effect on the thermal transport behavior of uranium dioxide (UO$_2$). The polycrystalline samples having different grain-sizes (0.125, 1.8, and 7.2 $\mu$m) have been prepared by spark…

Materials Science · Physics 2019-10-18 K. Shrestha , T. Yao , J. Lian , D. Antonio , M. Sessim , M. R. Tonks , K. Gofryk

Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic…

Materials Science · Physics 2012-05-28 Jani Kotakoski , Jannik C. Meyer

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Jian Wang , Xiao-Ming Wang , Yun-Fei Chen , Jian-Sheng Wang

Thermal conductivity is a critical material property in numerous applications, such as those related to thermoelectric devices and heat dissipation. Effectively modulating thermal conductivity has become a great concern in the field of heat…

Materials Science · Physics 2023-04-06 Xiao Wan , Dongkai Pan , Jing-Tao Lü , Sebastian Volz , Lifa Zhang , Qing Hao , Yangjun Qin , Zhicheng Zong , Nuo Yang

We report on the first measurement of the thermal conductivity of a suspended single layer graphene. The measurements were performed using a non-contact optical technique. The near room-temperature values of the thermal conductivity in the…

Materials Science · Physics 2008-03-15 A. A. Balandin , S. Ghosh , W. Bao , I. Calizo , D. Teweldebrhan , F. Miao , C. N. Lau

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

Ripples, curvature, and grain boundaries in graphene can significantly alter its thermal conductivity (TC), which is paramount in various applications including thermal management etc. In this study, we conducted extensive equilibrium MD…

Mesoscale and Nanoscale Physics · Physics 2025-01-06 Abhishek Kumar , Kunwar Abhikeern , Amit Singh

We investigate the temperature dependence of the conductivity in ballistic graphene using Landauer transport theory. We obtain results which are qualitatively in agreement with many features recently observed in transport measurements on…

Mesoscale and Nanoscale Physics · Physics 2009-11-12 Markus Mueller , Matthias Braeuninger , Bjoern Trauzettel