期刊
JOURNAL OF APPLIED PHYSICS
卷 112, 期 7, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4757941
关键词
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资金
- National Science Foundation [CBET-1134311]
- National Science Foundation
- Department of Defense
- LDRD program office at Sandia National Laboratories
- United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
- Directorate For Engineering
- Div Of Chem, Bioeng, Env, & Transp Sys [1134311] Funding Source: National Science Foundation
We investigate the influence of substitutional impurities on Kapitza conductance at coherent interfaces via non-equilibrium molecular dynamics simulations. The reference interface is comprised of two mass-mismatched Lennard-Jones solids with atomic masses of 40 and 120 amu. Substitutional impurity atoms with varying characteristics, e.g., mass or bond, are arranged about the interface in Gaussian distributions. When the masses of impurities fall outside the atomic masses of the reference materials, substitutional impurities impede interfacial thermal transport; on the other hand, when the impurity masses fall within this range, impurities enhance transport. Local phonon density of states calculations indicate that this observed enhancement can be attributed to a spatial grading of vibrational properties near the interface. Finally, for the range of parameters investigated, we find that the mass of the impurity atoms plays a dominant role as compared to the impurity bond characteristics. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4757941]
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