Concepedia

Impacts of potential models on calculating the thermal conductivity of graphene using non-equilibrium molecular dynamics simulations

Chao Si, Xiaodong Wang, Zhen Fan, Zhihai Feng, Bing Cao

International Journal of Heat and Mass Transfer · 2016 · 105 citations · 52 references

DOI

Concepts

References

52

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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Superior Thermal Conductivity of Single-Layer Graphene

Alexander A. Balandin, Suchismita Ghosh, Wenzhong Bao et al. · Nano Letters · 2008 · 13.7K citations

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A reactive potential for hydrocarbons with intermolecular interactions

Steven J. Stuart, Alan B. Tutein, Judith A. Harrison · The Journal of Chemical Physics · 2000 · 4.4K citations

, , +17

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

J. Tersoff · Physical review. B, Condensed matter · 1989 · 4.1K citations

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A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Donald W. Brenner, Olga Shenderova, Judith A. Harrison et al. · Journal of Physics Condensed Matter · 2002 · 3.7K citations · Full text

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