https://hal-centralesupelec.archives-ouvertes.fr/hal-01652588Carr, E.J.E.J.CarrQUT - Queensland University of Technology [Brisbane]Turner, I.W.I.W.TurnerQUT - Queensland University of Technology [Brisbane]Perre, PatrickPatrickPerreLGPM - Laboratoire de Génie des Procédés et Matériaux - EA 4038 - CentraleSupélecMacroscale modelling of multilayer diffusion: Using volume averaging to correct the boundary conditionsHAL CCSD2017Multilayer diffusion Composite medium Macroscale Volume averaging Homogenization Boundary conditions[SPI.GPROC] Engineering Sciences [physics]/Chemical and Process EngineeringKruch, Catherine2017-11-30 14:23:052021-07-20 03:06:172017-11-30 14:23:05enJournal articles10.1016/j.apm.2017.03.0441This paper investigates the form of the boundary conditions (BCs) used in macroscale models of PDEs with coefficients that vary over a small length-scale (microscale). Specifically, we focus on the one-dimensional multilayer diffusion problem, a simple prototype problem where an analytical solution is available. For a given microscale BC (e.g., Dirichlet, Neumann, Robin, etc.) we derive a corrected macroscale BC using the method of volume averaging. For example, our analysis confirms that a Robin BC should be applied on the macroscale if a Dirichlet BC is specified on the microscale. The macroscale field computed using the corrected BCs more accurately captures the averaged microscale field and leads to a reconstructed microscale field that is in excellent agreement with the true.microscale field. While the analysis and results are presented for one-dimensional multilayer diffusion only, the methodology can be extended to and has implications on a broader class of problems.