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We present a robust and efficient method for simulating Lagrangian solid-fluid coupling based on a new operator splitting strategy. We use variational formulations to approximate fluid properties and solid-fluid interactions, and introduce a unified two-way coupling formulation for SPH fluids and FEM solids using interior point barrier-based frictional contact. We split the resulting optimization problem into a fluid phase and a solid-coupling phase using a novel time-splitting approach with augmentedcontact proxies, and propose efficient custom linear solvers. Our technique accounts for fluids interaction with nonlinear hyperelastic objects of different geometries and codimensions, while maintaining an algorithmically guaranteed non-penetrating criterion. Comprehensive benchmarks and experiments demonstrate the efficacy of our method.
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Programmable phase behavior in fluids with designable interactions
We introduce a method for solving the “inverse” phase equilibria problem: How should the interactions among a collection of molecular species be designed in order to achieve a target phase diagram? Using techniques from convex optimization theory, we show how to solve this problem for phase diagrams containing a large number of components and many coexisting phases with prescribed compositions. We apply our approach to commonly used mean-field models of multicomponent fluids and then use molecular simulations to verify that the designed interactions result in the target phase diagrams. Our approach enables the rational design of “programmable” fluids, such as biopolymer and colloidal mixtures, with complex phase behavior.
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- Award ID(s):
- 2143670
- PAR ID:
- 10484799
- Publisher / Repository:
- AIP
- Date Published:
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 158
- Issue:
- 21
- ISSN:
- 0021-9606
- Page Range / eLocation ID:
- 214118
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1063/5.0147211
