title: Computational design of patterned interfaces using reduced order models.
abstract: Patterning is a familiar approach for imparting novel functionalities to free surfaces. We extend the patterning paradigm to interfaces between crystalline solids. Many interfaces have non-uniform internal structures comprised of misfit dislocations, which in turn govern interface properties. We develop and validate a computational strategy for designing interfaces with controlled misfit dislocation patterns by tailoring interface crystallography and composition. Our approach relies on a novel method for predicting the internal structure of interfaces: rather than obtaining it from resource-intensive atomistic simulations, we compute it using an efficient reduced order model based on anisotropic elasticity theory. Moreover, our strategy incorporates interface synthesis as a constraint on the design process. As an illustration, we apply our approach to the design of interfaces with rapid, 1-D point defect diffusion. Patterned interfaces may be integrated into the microstructure of composite materials, markedly improving performance.
authors.affiliation: 1] CEA, DAM, DIF, F-91297 Arpajon, France [2] MIT Department of Materials Science and Engineering, Cambridge MA, 02139.
authors.forename: A J
authors.initials: AJ
authors.lastname: Vattré
authors.affiliation: MIT Department of Materials Science and Engineering, Cambridge MA, 02139.
authors.forename: N
authors.initials: N
authors.lastname: Abdolrahim
authors.affiliation: MIT Department of Materials Science and Engineering, Cambridge MA, 02139.
authors.forename: K
authors.initials: K
authors.lastname: Kolluri
authors.affiliation: MIT Department of Materials Science and Engineering, Cambridge MA, 02139.
authors.forename: M J
authors.initials: MJ
authors.lastname: Demkowicz