Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces

Heijmans, Koen; Pathak, Amar Deep; Solano-López, Pablo; Giordano, Domenico; Nedea, Silvia; Smeulders, David

doi:10.3390/nano9050663

Open AccessArticle

Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces

by

Koen Heijmans

¹

,

Amar Deep Pathak

¹

,

Pablo Solano-López

²,

Domenico Giordano

³,

Silvia Nedea

^1,* and

David Smeulders

¹

Energy Technology, Department of Mechanical Engineering, Eindhoven University of Technology, 5600 MB Eindhoven, The Netherlands

²

Departmento de Fisica Aplicada, ETSIAE, Universidad Politécnica de Madrid, 28040 Madrid, Spain

³

ESA—Estec, Keplerlaan 1, 2201 AZ Noordwijk, The Netherlands

^*

Author to whom correspondence should be addressed.

Nanomaterials 2019, 9(5), 663; https://doi.org/10.3390/nano9050663

Submission received: 15 March 2019 / Revised: 18 April 2019 / Accepted: 19 April 2019 / Published: 26 April 2019

(This article belongs to the Special Issue Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry)

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Abstract

The interface of two solids in contact introduces a thermal boundary resistance (TBR), which is challenging to measure from experiments. Besides, if the interface is reactive, it can form an intermediate recrystallized or amorphous region, and extra influencing phenomena are introduced. Reactive force field Molecular Dynamics (ReaxFF MD) is used to study these interfacial phenomena at the (non-)reactive interface. The non-reactive interfaces are compared using a phenomenological theory (PT), predicting the temperature discontinuity at the interface. By connecting ReaxFF MD and PT we confirm a continuous temperature profile for the homogeneous non-reactive interface and a temperature jump in case of the heterogeneous non-reactive interface. ReaxFF MD is further used to understand the effect of chemical activity of two solids in contact. The selected Si/SiO₂ materials showed that the TBR of the reacted interface is two times larger than the non-reactive, going from

1.65 \times 10^{- 9}

to

3.38 \times 10^{- 9}

m²K/W. This is linked to the formation of an intermediate amorphous layer induced by heating, which remains stable when the system is cooled again. This provides the possibility to design multi-layered structures with a desired TBR.

Keywords: ReaxFF; interface; thermal boundary resistance; Kapitza resistance

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MDPI and ACS Style

Heijmans, K.; Pathak, A.D.; Solano-López, P.; Giordano, D.; Nedea, S.; Smeulders, D. Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces. Nanomaterials 2019, 9, 663. https://doi.org/10.3390/nano9050663

AMA Style

Heijmans K, Pathak AD, Solano-López P, Giordano D, Nedea S, Smeulders D. Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces. Nanomaterials. 2019; 9(5):663. https://doi.org/10.3390/nano9050663

Chicago/Turabian Style

Heijmans, Koen, Amar Deep Pathak, Pablo Solano-López, Domenico Giordano, Silvia Nedea, and David Smeulders. 2019. "Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces" Nanomaterials 9, no. 5: 663. https://doi.org/10.3390/nano9050663

APA Style

Heijmans, K., Pathak, A. D., Solano-López, P., Giordano, D., Nedea, S., & Smeulders, D. (2019). Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces. Nanomaterials, 9(5), 663. https://doi.org/10.3390/nano9050663

Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. See further details here.

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