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Thermal resistance across the interface between touching surfaces is critical for many industrial applications. We developed a network model to predict the macroscopic thermal resistance of mechanically contacting surfaces. Contacting interfaces are fractally rough, with small islands of locally intimate contact separated by regions with a wider gas filled boundary gap. Heat flow across the interface is therefore heterogeneous and thus the contact model is based on a network of thermal resistors representing boundary resistance at local contacts and the access resistance for lateral transport to contacts. Molecular dynamics simulations have been performed to characterize boundary resistance of Silicon Alumina interfaces for testing the sensitivity of thermal resistance to contact opening. Boltzmann transport simulations of access resistance in Si are conducted in the ballistic transport regime.
High purity bulk graphite is applicable in many capacities in the nuclear industry. The thermal conductivity of graphite has been found to vary as a function of how its morphology changes on the nanoscale, and the type and number of defects present. We compute thermal conductivities at the nanolevel using large scale classical molecular dynamics simulations and by employing the Green-Kubo method in a set of in silico experiments geared towards understanding the impact of defects in the thermal conductivity of graphite. We present the results obtained for systems with 1– 3 vacancies, and compile a summary of some of the methods applied and difficulties encountered.
The mechanical losses due to the bowing of isolated Frank-Read sources under application of periodic loads is studied within a continuum simulation of dislocation dynamics. The dislocations are modelled within isotropic elasticity theory and assumed to be in the overdamped limit. Dislocation radiation effects are neglected. The mechanical losses are studied as a function of bias stress, amplitude of the periodic stress and frequency. The frequencies studied lie between 10 KHz and 1 MHz. Under high stresses applied at low frequencies, a deviation from the expected Lorentzian resonance shape is observed. The physical origins of this deviation are discussed.
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