An integrated fractional partial differential equation and molecular dynamics model of anomalously diffusive transport in heterogeneous nano-pore structures

DOI10.1016/j.jcp.2018.01.002zbMath1416.76197OpenAlexW2781632233WikidataQ115350122 ScholiaQ115350122MaRDI QIDQ2311676

Shuai He, Meng Zhao, Hong Wang, Guan Qin

Publication date: 4 July 2019

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2018.01.002

zbMATH Keywords

molecular dynamics simulationupscalingfractional partial differential equationmultiscale modelanomalous diffusive transportnanoscale porous material

Mathematics Subject Classification ID

Flows in porous media; filtration; seepage (76S05) Finite difference methods applied to problems in fluid mechanics (76M20) Fractional partial differential equations (35R11) Statistical mechanics of nanostructures and nanoparticles (82D80)

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