|About this Abstract
||Materials Science & Technology 2011
||Interfaces, Grain Boundaries and Surfaces from Atomistic and Macroscopic Approaches -- Fundamental and Engineering Issues
||Molecular Dynamics Study of Thermal Transport at Copper Phthalocyanine-Metal Interface
||Chen Shao, Yansha Jin, Max Shtein, Kevin Pipe, John Kieffer
|On-Site Speaker (Planned)
Organic-inorganic interfaces provide critical functionality for many electronic devices and interfacial heat transfer plays a key role in performance and reliability for such applications, yet the fundamental processes that govern this transfer remain poorly understood. In this study, we use molecular dynamics (MD) simulations to carry out a systematic study of the thermal boundary resistance (TBR) at copper phthalocyanine (CuPc)/metal interfaces. The temperature jump and heat flux at the interface are calculated from simulation using the direct method. For a perfect <I>α</I>–CuPc/Au interface, the calculated TBR of 1.79×10<SUP>-8</SUP> m<SUP>2</SUP>K/W is comparable to the experimental value. The TBR of weakly bonded interface is found to decrease almost linearly with the increase of bonding strength between CuPc and Au at the interface. The effects of factors such as density/impedance mismatch between the two materials, structural incoherence, and surface roughness will also be discussed.
||Definite: A CD-only volume