Kapitza thermal resistance across individual grain boundaries in graphene by Khatereh Azizi, Petri Hirvonen, Zheyong Fan, Ari Harju, Ken R. Elder, Tapio Ala-Nissila, Mehdi V. Allaei

“…We find that the Kapitza resistance depends strongly on the tilt angle and shows a clear correlation with the average density of defects in a given grain boundary, but is not strongly correlated with the grain boundary line tension. …”
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Bimodal grain-size scaling of thermal transport in polycrystalline graphene from large-scale molecular dynamics simulations by Zheyong Fan, Petri Hirvonen, Luiz F. Pereira, Mikko M. Ervasti, Ken R. Elder, Davide Donadio, Ari Harju, Tapio Ala-Nissila

“…We also show that, to get quantitative agreement with the most recent experiments, quantum corrections need to be applied to both the Kapitza conductance of grain boundaries and the thermal conductivity of pristine graphene, and the corresponding Kapitza lengths must be renormalized accordingly.…”
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Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride by Haikuan Dong, Petri Hirvonen, Zheyong Fan, Tapio Ala-Nissila

“…We use a phase field crystal model to generate large-scale bicrystalline and polycrystalline single-layer hexagonal boron nitride (h-BN) samples and employ molecular dynamics (MD) simulations with the Tersoff many-body potential to study their heat transport properties. …”
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Thermal conductivity and molecular heat transport of nanofluids by Nader Dolatabadi, Ramin Rahmani, Homer Rahnejat, Colin Garner

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