Molecular dynamics simulations of Kapitza length for argon-silicon and water-silicon interfaces

Pham, An T.; Barışık, Murat; Kim, BoHung

doi:10.1007/s12541-014-0341-x

Cited by 45 publications

(20 citation statements)

References 22 publications

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“…The heat transfer mechanism between these two limiting conditions in the presence of the wall force field has not been studied in detail to the best of our knowledge, yet. A literature review reveals that while the heat transfer in liquid confined nanoscale media has been studied extensively by using appropriate wall/liquid interaction potentials, the heat transfer in nanoscale-confined gas has not been studied as well in details [19,20,[29][30][31][32][33][34][35][36][21][22][23][24][25][26][27][28]. This might be due to the fact that the simulation of a nanoscale confined gas requires a very large dimension in the periodic direction which leads to an enormous number of wall molecules in comparison with a nanoscale confined liquid simulation.…”

Section: Introductionmentioning

confidence: 99%

Effect of temperature difference between channel walls on the heat transfer characteristics of nanoscale-confined gas

Rabani

Heidarinejad

Harting

et al. 2019

International Journal of Thermal Sciences

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We present molecular dynamics simulations of stationary argon gas in nanoscale confinement and under various temperature differences between walls. For a channel of 5.4 nm height, we vary the gas density and find that in addition to the temperature difference between the walls, the absolute temperature of each wall plays an important role in the determination of the gas molecule distribution regardless of the level of rarefaction. The combined effect of the wall force field, the temperature difference between the walls and the wall temperature leads to the fact that the normalized temperature profile along the channel height does not coincide for various temperature differences between the walls. As the gas density is increased, it is observed that the wall force field effect on the density and temperature profiles reduces considerably due to the increment in the magnitude of the gas force field for all implemented temperature differences. Considering the temperature profiles and the distribution of the effective local thermal conductivity (ELTC) along the channel height, it is inferred that a diffusive transport mechanism is dominant throughout the dense gas medium. Besides, as the gas becomes rarefied, ballistic transport in the bulk region and diffusive transport in the regions close to the walls are observed. Furthermore, the effective thermal conductivity is a function of the implemented temperature differences between the walls and its value at 300 K varies from 0.18 to 12 mW/mK as the bulk gas density changes from 1.95 to 196 kg m 3 ⁄ .

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Section: Introductionmentioning

confidence: 99%

Effect of temperature difference between channel walls on the heat transfer characteristics of nanoscale-confined gas

Rabani

Heidarinejad

Harting

et al. 2019

International Journal of Thermal Sciences

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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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“…During recent decades, density peaks and depletion length (i.e., the distance between the solid surface and rst peak density) have been two major factors for explaining the energy and momentum transport at the interface. 7,10,21,35,53,54 However, the results from Fig. 5 show that the uid spatial density distributions remain unchanged in spite of any change in monolayer properties.…”

Section: Role Of Monolayer Mass and Interaction Energymentioning

confidence: 92%

Manipulating thermal resistance at the solid–fluid interface through monolayer deposition

Hasan

Kim

2019

RSC Adv.

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Molecular dynamics simulations of Kapitza length for argon-silicon and water-silicon interfaces

Cited by 45 publications

References 22 publications

Effect of temperature difference between channel walls on the heat transfer characteristics of nanoscale-confined gas

Effect of temperature difference between channel walls on the heat transfer characteristics of nanoscale-confined gas

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

Manipulating thermal resistance at the solid–fluid interface through monolayer deposition

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