463 citations · 1k across the 17 of their papers we have counts for
3 papers · 1 filter
Heat transport across graphene/hexagonal-BN tilted grain boundaries from phase-field crystal model and molecular dynamics simulations
Haikuan Dong, Petri Hirvonen, Zheyong Fan +3
We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. Fir…
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
Zheyong Fan, Zezhu Zeng, Cunzhi Zhang +4
We develop a neuroevolution-potential (NEP) framework for generating neural network based machine-learning potentials. They are trained using an evolutionary strategy for performin…
Ultrahigh convergent thermal conductivity of carbon nanotubes from comprehensive atomistic modeling
Giuseppe Barbalinardo, Zekun Chen, Haikuan Dong +2
Anomalous heat transport in one-dimensional nanostructures, such as nanotubes and nanowires, is a widely debated problem in condensed matter and statistical physics, with contradic…