CDS&E: Multiscale Computational Modeling of Flow-Induced Mechanical Deformation via Nonlocal Formulations

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This Computational and Data-Enabled Science and Engineering (CDS&E) project will contribute to the advancement of national prosperity and economic welfare by enabling predictive simulations of complex mechanical problems with relevance to biomedicine (how to adhere layers of tissue together after surgery) and the development of coatings and sealants (how to ensure dried paint remains attached to a surface). Most have experienced the commonplace challenge of peeling off a piece of tape from a surface or attempting to lift a thin object stuck to a wet glass tabletop. From paint and do-it-yourself home repair to diapers and hygiene products, soft coatings involve the fluid-layer-mediated adhesion of an elastic material to a rigid substrate. The ability to accurately simulate the adhesion and debonding processes, including material failure, in real-world scenarios remains a challenge. The fundamental research supported by this grant will promote the progress of science by developing theories that will lead to fast and accurate simulation tools capable of handling the complex interaction between thin layers of fluids and soft, elastic surfaces that can adhere, detach, or even tear apart due to the flow of the fluid. Undergraduate and graduate students will be trained in computational mechanics, and planned interactions with an HBCU will increase the diversity of individuals pursuing higher degrees, and ultimately of the STEM workforce.This grant will enable predictive, multiscale simulation of flow-induced mechanical deformation using nonlocal formulations of continuum mechanics via the construction of tractable 1D models coupling nonlocal mechanical response to fluid flow, leading to creation of 3D solvers for peridynamic equations, employing novel finite-volume discretizations that permit the simulation of two-way coupled fluid-structure interactions featuring nonlocal mechanics. Using recent developments in mathematical analysis, such as weakly-singular kernels for defining nonlocal generalization of the Laplacian, nonlocal 1D models will be derived to understand the fundamentals of flow-driven delamination of nanosheets where classical continuum mechanics approaches fail. Ideas from the finite-volume implementation of meshless (particle) methods will be used to design and build 3D computational tools upon standardized, open-source frameworks that can be made freely available to researchers and practitioners. The resulting computational tools will be capable of bridging scales (from the mesoscale to the continuum scale via nonlocal theories) to enable predictive simulation of flow coupled to nonlocal mechanics relevant to applications such as soft adhesion, additive manufacturing and biophysics.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.