Thermal boundary characteristics of homo-/heterogeneous interfaces

Koen Heijmans, Amar Deep Pathak, Pablo Solano-López, Domenico Giordano, Silvia Nedea (Corresponding author), David Smeulders

Research output: Contribution to journalArticleAcademicpeer-review

3 Citations (Scopus)
36 Downloads (Pure)

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 × 10-9 to 3.38 × 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.

Original languageEnglish
Article number663
Number of pages19
JournalNanomaterials
Volume9
Issue number5
DOIs
Publication statusPublished - 1 May 2019

Keywords

  • Interface
  • Kapitza resistance
  • ReaxFF
  • Thermal boundary resistance

Fingerprint Dive into the research topics of 'Thermal boundary characteristics of homo-/heterogeneous interfaces'. Together they form a unique fingerprint.

Cite this