Molecular dynamics modeling of thermal resistance at argon-graphite and argon-silver interfaces

Shi, Ziyuan; Barışık, Murat; Beşkök, Ali

doi:10.1016/j.ijthermalsci.2012.04.009

Cited by 48 publications

(33 citation statements)

References 27 publications

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“…Then the whole thermal resistance of system R becomes smaller since the rest of the thermal resistances R S1 , R S2 , and R L remain almost unchanged. According to the Fourier Law, q = −λ T / z = − T /R, which has been proved to be suitable for a solid-liquid system [11], heat flux increases with increasing α in Fig. 4b under the given thermal bath.…”

Section: Effect Of Interaction Strength Between Liquid and Solidmentioning

confidence: 98%

“…The first reason is the influence of temperature on the density profiles. Shi et al [11] discovered that the density fluctuations of the liquid are more significant when the temperature of the solid wall is lower. This is also verified by Fig.…”

Section: Effect Of Atomic Mass Of Solid Wallmentioning

confidence: 99%

“…Astoundingly, the interface thermal conductance was proportional to the magnitude of the surface roughness. Barisik and his co-workers [10][11][12][13][14][15] made a series of efforts on explicating the heat transfer mechanism in solid-liquid systems. An artificial ITR was discovered, so that the thermostats could be applied away from the interfaces [10].…”

Section: Introductionmentioning

confidence: 99%

“…An artificial ITR was discovered, so that the thermostats could be applied away from the interfaces [10]. They also had detailed discussions about the influences of wall temperature [11], pressure [12], and the contact angle of a droplet [13] and obtained useful conclusions. Murad and his co-workers [16][17][18][19][20][21][22][23] also applied molecular dynamic simulations (MDS) to in-depth exploration about solid-liquid interactions.…”

Section: Introductionmentioning

confidence: 99%

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Heat Transfer Characteristics in an Asymmetrical Solid–Liquid System by Molecular Dynamics Simulations

Feng

Liang

2015

Int J Thermophys

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Solid-liquid systems widely exist in micro-and nanodevices, and it is necessary to study the heat transfer mechanism through solid-liquid interfaces. An asymmetrical sandwich structure of a solid-liquid system consisting of liquid argon and artificial solid walls that have the same FCC structure with argon but a different atomic masses is composed. Heat transfer characteristics are investigated by the molecular dynamics method. The interaction strength between a liquid and solid plays an essential role in heat transport at solid-liquid interfaces, and the thermal resistance length is inversely proportional to it. The mass arrangement of artificial solid walls also has a significant effect on heat transport as well. A maximum heat flux comes up due to the mismatch in phonon spectra with the increasing atomic mass of one solid wall. The asymmetrical liquid density profiles are obtained with various mass differences between solid walls. Especially, a thermal rectification effect is observed and the magnitude is inextricably bound up with asymmetry.

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Section: Effect Of Interaction Strength Between Liquid and Solidmentioning

confidence: 98%

Section: Effect Of Atomic Mass Of Solid Wallmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Heat Transfer Characteristics in an Asymmetrical Solid–Liquid System by Molecular Dynamics Simulations

Feng

Liang

2015

Int J Thermophys

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“…In particular, Kapitza resistance at solid/liquid interfaces are found to depend significantly on the strength of the solid/liquid interaction [14][15][16][17], bulk liquid pressure and wettability of solid surfaces [18], the surface temperature [19][20][21][22], the interaction energy per unit area of solid/water contact surfaces [23], and hydrophilic headgroups or selfassembly of mono-layers with different chain lengths assigned onto solid surfaces [24]. With extraordinary properties of graphene, the understanding of interfacial thermal resistance at nano-composite surfaces that are composed of mono-or multilayers of graphene on metal surface and liquid water, is expected to play an important role towards the development of heat transfer and microfluidics devices.…”

Section: Introductionmentioning

confidence: 99%

Interfacial thermal resistance between the graphene-coated copper and liquid water

Pham

Barışık

Kim

2016

International Journal of Heat and Mass Transfer

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a b s t r a c tThe thermal coupling at water-solid interfaces is a key factor in controlling thermal resistance and the performance of nanoscale devices. This is especially important across the recently engineered nano-composite structures composed of a graphene-coated-metal surface. In this paper, a series of molecular dynamics simulations were conducted to investigate Kapitza length at the interface of liquid water and nano-composite surfaces of graphene-coated-Cu(1 1 1). We found that Kapitza length gradually increased and converged to the value measured on pure graphite surface with the increase of the number of graphene layers inserted on the Cu surface. Different than the earlier hypothesis on the ''transparency of graphene," the Kapitza length at the interface of mono-layer graphene coated Cu and water was found to be 2.5 times larger than the value of bare Cu surface. This drastic change of thermal resistance with the additional of a single graphene is validated by the surface energy calculations indicating that the mono-layer graphene allows only $18% van der Waals energy of underneath Cu to transmit. We introduced an ''overall interaction strength" value for the nano-composites based the quantitative contribution of pair interaction potentials of each material with water into the total surface energy in each case. Similar to earlier studies, results revealed that Kapitza length shows exponentially variation as a function of the estimated interaction strength of the nano-composite surfaces. The effect of Cu/graphene coupling on thermal behavior between the nano-composite with water was characterized. The Kapitza length was found to decrease significantly with increased Cu/graphene strength in the case of weak coupling, while this behavior becomes negligible with strong coupling of Cu and graphene.

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Structure and Nonequilibrium Heat‐Transfer of a Physisorbed Molecular Layer on Graphene

Wit

Bunjes

Wenderoth

et al. 2020

Adv Materials Inter

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The structure of a physisorbed sub-monolayer of 1,2-bis(4-pyridyl)ethylene (bpe) on epitaxial graphene is investigated by Low-Energy Electron Diffraction and Scanning Tunneling Microscopy. Additionally, non-equilibrium heat-transfer between bpe and the surface is studied by Ultrafast Low-Energy Electron Diffraction. Bpe arranges in an oblique unit cell which is not commensurate with the substrate. Six different rotational and/or mirror domains, in which the molecular unit cell is rotated by 28±0.1 with respect to the graphene surface, are identified. The molecules are weakly physisorbed, as evidenced by the fact that they readily desorb at room temperature. At liquid nitrogen temperature, however, the layers are stable and time-resolved experiments can be performed. The temperature changes of the molecules and the surface can be measured independently through the Debye-Waller factor of their individual diffraction features. Thus, the heat flow between bpe and the surface can be monitored on a picosecond timescale. The time-resolved measurements, in combination with model simulations, show the existence of three relevant thermal barriers between the different layers. The thermal boundary resistance between the molecular layer and graphene was found to be 2±1•10-8 K m 2 W-1. Received: ((will be filled in by the editorial staff)) Revised: ((will be filled in by the editorial staff))

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Molecular dynamics modeling of thermal resistance at argon-graphite and argon-silver interfaces

Cited by 48 publications

References 27 publications

Heat Transfer Characteristics in an Asymmetrical Solid–Liquid System by Molecular Dynamics Simulations

Heat Transfer Characteristics in an Asymmetrical Solid–Liquid System by Molecular Dynamics Simulations

Interfacial thermal resistance between the graphene-coated copper and liquid water

Structure and Nonequilibrium Heat‐Transfer of a Physisorbed Molecular Layer on Graphene

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