Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics
- Ecole Centrale Paris (France). Macroscopic and Molecular Energy Lab.; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Mechanical Engineering Dept.
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Mechanical Engineering Dept.
- Georgia Inst. of Technology, Atlanta, GA (United States). George W. Woodruff School of Mechanical Engineering
- Ecole Centrale Paris (France). Macroscopic and Molecular Energy Lab.
We provide here a derivation allowing the calculation of thermal conductance at interfaces by equilibrium molecular dynamics simulations and illustrate our approach by studying thermal conduction mechanisms in Si/Ge superlattices. Thermal conductance calculations of superlattices with period thicknesses ranging from 0.5 to 60 nm are presented as well as the temperature dependence. Results have been compared to complementary Green-Kubo thermal conductivity calculations demonstrating that thermal conductivity of perfect superlattices can be directly deduced from interfacial conductance in the investigated period range. This confirms the predominant role of interfaces in materials with large phonon mean free paths.
- Research Organization:
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0001299; FG02-09ER46577
- OSTI ID:
- 1067085
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 85, Issue 19; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
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