183 citations · 470 across the 8 of their papers we have counts for
8 papers
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…
Phase field crystal model for heterostructures
Petri Hirvonen, Vili Heinonen, Haikuan Dong +3
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components…
Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids
Petri Hirvonen, Gabriel Martine La Boissonière, Zheyong Fan +4
While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycry…
Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride
Haikuan Dong, Petri Hirvonen, Zheyong Fan +1
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)…
Kapitza thermal resistance across individual grain boundaries in graphene
Khatereh Azizi, Petri Hirvonen, Zheyong Fan +4
We study heat transport across individual grain boundaries in suspended monolayer graphene using extensive classical molecular dynamics (MD) simulations. We construct bicrystalline…
Bimodal grain-size scaling of thermal transport in polycrystalline graphene from large-scale molecular dynamics simulations
Zheyong Fan, Petri Hirvonen, Luiz Pereira +5
Grain boundaries in graphene are inherent in wafer-scale samples prepared by chemical vapor deposition. They can strongly influence the mechanical properties and electronic and hea…
Thermal conductivity decomposition in two-dimensional materials: Application to graphene
Zheyong Fan, Luiz Felipe C. Pereira, Petri Hirvonen +5
Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to…
Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models
Petri Hirvonen, Mikko M. Ervasti, Zheyong Fan +7
We extend the phase field crystal (PFC) framework to quantitative modeling of polycrystalline graphene. PFC modeling is a powerful multiscale method for finding the ground state co…