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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 study heat transport across individual grain boundaries in suspended monolayer graphene using extensive classical molecular dynamics (MD) simulations. We construct bicrystalline graphene samples containing grain boundaries with symmetric…

Mesoscale and Nanoscale Physics · Physics 2017-09-28 Khatereh Azizi , Petri Hirvonen , Zheyong Fan , Ari Harju , Ken R Elder , Tapio Ala-Nissila , S Mehdi Vaez Allaei

We explore Kapitza thermal resistance on the boundary between two homogeneous chain fragments with different characteristics. For a linear model, an exact expression for the resistance is derived, and well-defined in the thermodynamic…

Soft Condensed Matter · Physics 2021-12-01 Jithu Paul , O. V. Gendelman

Silicon dioxide and silicon (SiO$_{2}$/Si) interface plays a very important role in semiconductor industry. However, at nanoscale, its interfacial thermal properties haven't been well understood so far. In this paper, we systematically…

Materials Science · Physics 2015-06-11 Jie Chen , Gang Zhang , Baowen Li

The thermal boundary resistance of Si/Ge interfaces as been determined using approach-to-equilibrium molecular dynamics simulations. Assuming a reciprocal linear dependence of the thermal boundary resistance, a length-independent bulk…

Materials Science · Physics 2015-06-11 Konstanze R. Hahn , Marcello Puligheddu , Luciano Colombo

Grain boundary networks should play a dominant role in determining the mechanical properties of nanocrystalline metals. However, these networks are difficult to characterize and their response to deformation is incompletely understood. In…

Materials Science · Physics 2020-01-17 David B. Bober , Mukul Kumar , Timothy J. Rupert

Thermal transport behavior in silicene nanotubes has become more important due to the application of these promising nanostructures in the engineering of next-generation nanoelectronic devices. We apply non-equilibrium molecular dynamics…

Computational Physics · Physics 2019-06-13 Maryam Khalkhali , Farhad Khoeini , Ali Rajabpour

Cooling electronic devices to cryogenic temperatures (< 77 K) is crucial in various scientific and engineering domains. Efficient cooling involves the removal of heat generated from these devices through thermal contact with either a liquid…

Instrumentation and Detectors · Physics 2023-09-26 Babak Mohammadian , Mark A. McCulloch , Thomas Sweetnam , Valerio Gilles , Lucio Piccirillo

The temperature dependence of the thermal boundary resistivity is investigated in glass-embedded Ag particles of radius 4.5 nm, in the temperature range from 300 to 70 K, using all-optical time-resolved nanocalorimetry. The present results…

We study the relaxation of a thermal grating in multilayer materials with interface thermal resistances. The analytical development allows for the nu- merical determination of this thermal property in Approach to Equilibrium Molecular…

Materials Science · Physics 2018-05-31 Pier Luca Palla , Sonia Zampa , Evelyne Lampin , Fabrizio Cleri

Understanding the temperature dependence of thermal boundary resistance, or Kapitza resistance, between liquid helium and sintered metal has posed a problem in low temperature physics for decades. In the ballistic regime of superfluid…

Graphene has drawn wide attention due to its exceptional thermal conductivity but complete understanding of thermal characteristics of polycrystalline graphene is still elusive to date. For the first time, herein, we have systematically…

Materials Science · Physics 2013-04-26 Young I. Jhon , Myung S. Jhon

The Kapitza or thermal boundary resistance (TBR), which limits heat dissipation from a thin film to its substrate, is a major factor in the thermal management of ultrathin nanoelectronic devices and is widely assumed to be a property of…

Materials Science · Physics 2017-04-14 Zhun-Yong Ong

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

Kapitza thermal resistance is a common feature of material interfaces. It is defined as the ratio of the thermal drop at the interface to the heat flux flowing across the interface. One expects that this resistance will depend on the…

Statistical Mechanics · Physics 2020-03-18 Jithu Paul , O. V. Gendelman

We have investigated the lattice thermal transport across the asymmetric tilt grain boundary between armchair and zigzag graphene by nonequilibrium molecular dynamics (NEMD). We have observed significant temperature drop and ultra-low…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Hai-Yuan Cao , Hongjun Xiang , Xin-Gao Gong

Kapitza resistance in the chain models with internal defects is considered. For the case of the linear chain, the exact analytic solution for the boundary resistance is derived for arbitrary linear time-independent conservative inclusion or…

Statistical Mechanics · Physics 2021-05-14 O. V. Gendelman , Jithu Paul

In this work, we investigated the effect of knots in the thermal transport of graphene nanoribbons through non-equilibrium molecular dynamics simulations. We considered the cases of one, two, and three knots are present. Temperature jumps…

Mesoscale and Nanoscale Physics · Physics 2022-08-04 Levi C. Felix , Alexandre F. Fonseca , Douglas S. Galvao

Inelastic electron tunneling and surface-enhanced optical spectroscopies at the molecular scale require cryogenic local temperatures even under illumination - conditions that are challenging to achieve with plasmonically resonant metallic…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 Pavlo Zolotavin , Alessandro Alabastri , Peter Nordlander , Douglas Natelson

The Thermal Boundary Resistance at the interface between a nanosized Al film and an Al_{2}O_{3} substrate is investigated at an atomistic level. A room temperature value of 1.4 m^{2}K/GW is found. The thermal dynamics occurring in…

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