Benchmark Computation of Morphological Complexity in the Functionalized Cahn-Hilliard Gradient Flow
Reductions of the self-consistent mean field theory model of amphiphilic molecules in solvent can lead to a singular family of functionalized Cahn-Hilliard energies. We modify these energies, mollifying the singularities to stabilize the computation of the gradient flows and develop a series of benc...
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creator | Christlieb, Andrew Promislow, Keith Tan, Zengqiang Wang, Sulin Wetton, Brian Wise, Steven M |
description | Reductions of the self-consistent mean field theory model of amphiphilic
molecules in solvent can lead to a singular family of functionalized
Cahn-Hilliard energies. We modify these energies, mollifying the singularities
to stabilize the computation of the gradient flows and develop a series of
benchmark problems that emulate the "morphological complexity" observed in
experiments. These benchmarks investigate the delicate balance between the rate
of absorption of amphiphilic material onto an interface and a least energy
mechanism to disperse the arriving mass. The result is a trichotomy of
responses in which two-dimensional interfaces either lengthen by a regularized
motion against curvature, undergo pearling bifurcations, or split directly into
networks of interfaces. We evaluate a number of schemes that use second order
BDF2-type time stepping coupled with Fourier pseudo-spectral spatial
discretization. The BDF2-type schemes are either based on a fully implicit time
discretization with a PSD nonlinear solver, or upon IMEX, SAV, ETD approaches.
All schemes use a fixed local truncation error target with adaptive
time-stepping to achieve the error target. Each scheme requires proper
"preconditioning" to achieve robust performance that can enhance efficiency by
several orders of magnitude. |
doi_str_mv | 10.48550/arxiv.2006.04784 |
format | Article |
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molecules in solvent can lead to a singular family of functionalized
Cahn-Hilliard energies. We modify these energies, mollifying the singularities
to stabilize the computation of the gradient flows and develop a series of
benchmark problems that emulate the "morphological complexity" observed in
experiments. These benchmarks investigate the delicate balance between the rate
of absorption of amphiphilic material onto an interface and a least energy
mechanism to disperse the arriving mass. The result is a trichotomy of
responses in which two-dimensional interfaces either lengthen by a regularized
motion against curvature, undergo pearling bifurcations, or split directly into
networks of interfaces. We evaluate a number of schemes that use second order
BDF2-type time stepping coupled with Fourier pseudo-spectral spatial
discretization. The BDF2-type schemes are either based on a fully implicit time
discretization with a PSD nonlinear solver, or upon IMEX, SAV, ETD approaches.
All schemes use a fixed local truncation error target with adaptive
time-stepping to achieve the error target. Each scheme requires proper
"preconditioning" to achieve robust performance that can enhance efficiency by
several orders of magnitude.</description><identifier>DOI: 10.48550/arxiv.2006.04784</identifier><language>eng</language><subject>Computer Science - Numerical Analysis ; Mathematics - Numerical Analysis ; Physics - Computational Physics</subject><creationdate>2020-06</creationdate><rights>http://arxiv.org/licenses/nonexclusive-distrib/1.0</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>228,230,776,881</link.rule.ids><linktorsrc>$$Uhttps://arxiv.org/abs/2006.04784$$EView_record_in_Cornell_University$$FView_record_in_$$GCornell_University$$Hfree_for_read</linktorsrc><backlink>$$Uhttps://doi.org/10.48550/arXiv.2006.04784$$DView paper in arXiv$$Hfree_for_read</backlink></links><search><creatorcontrib>Christlieb, Andrew</creatorcontrib><creatorcontrib>Promislow, Keith</creatorcontrib><creatorcontrib>Tan, Zengqiang</creatorcontrib><creatorcontrib>Wang, Sulin</creatorcontrib><creatorcontrib>Wetton, Brian</creatorcontrib><creatorcontrib>Wise, Steven M</creatorcontrib><title>Benchmark Computation of Morphological Complexity in the Functionalized Cahn-Hilliard Gradient Flow</title><description>Reductions of the self-consistent mean field theory model of amphiphilic
molecules in solvent can lead to a singular family of functionalized
Cahn-Hilliard energies. We modify these energies, mollifying the singularities
to stabilize the computation of the gradient flows and develop a series of
benchmark problems that emulate the "morphological complexity" observed in
experiments. These benchmarks investigate the delicate balance between the rate
of absorption of amphiphilic material onto an interface and a least energy
mechanism to disperse the arriving mass. The result is a trichotomy of
responses in which two-dimensional interfaces either lengthen by a regularized
motion against curvature, undergo pearling bifurcations, or split directly into
networks of interfaces. We evaluate a number of schemes that use second order
BDF2-type time stepping coupled with Fourier pseudo-spectral spatial
discretization. The BDF2-type schemes are either based on a fully implicit time
discretization with a PSD nonlinear solver, or upon IMEX, SAV, ETD approaches.
All schemes use a fixed local truncation error target with adaptive
time-stepping to achieve the error target. Each scheme requires proper
"preconditioning" to achieve robust performance that can enhance efficiency by
several orders of magnitude.</description><subject>Computer Science - Numerical Analysis</subject><subject>Mathematics - Numerical Analysis</subject><subject>Physics - Computational Physics</subject><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>GOX</sourceid><recordid>eNotz71OwzAUBWAvDKjwAEz4BRJuEv_EI0SkRSpi6R7dODaxcO3IpNDy9NDQ6Qzn6EgfIXcF5KzmHB4wHd1XXgKIHJis2TXRTybocY_pgzZxPx1mnF0MNFr6GtM0Rh_fnUa_lN4c3XyiLtB5NLQ9BH3eonc_ZqANjiHbOO8dpoGuEw7OhJm2Pn7fkCuL_tPcXnJFdu3zrtlk27f1S_O4zVBIlgmBXIBCxVAXtbTWFNJyxXnZF2VZ1aC4MLpHEGAF7_VgpVRKSmRg5QB1tSL3_7eLspuS-2OdurO2W7TVL0MxUJM</recordid><startdate>20200608</startdate><enddate>20200608</enddate><creator>Christlieb, Andrew</creator><creator>Promislow, Keith</creator><creator>Tan, Zengqiang</creator><creator>Wang, Sulin</creator><creator>Wetton, Brian</creator><creator>Wise, Steven M</creator><scope>AKY</scope><scope>AKZ</scope><scope>GOX</scope></search><sort><creationdate>20200608</creationdate><title>Benchmark Computation of Morphological Complexity in the Functionalized Cahn-Hilliard Gradient Flow</title><author>Christlieb, Andrew ; Promislow, Keith ; Tan, Zengqiang ; Wang, Sulin ; Wetton, Brian ; Wise, Steven M</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a674-66a5609a94ac187ffe17f59552b122380956ecba060f65bcdf779977a40f7d083</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Computer Science - Numerical Analysis</topic><topic>Mathematics - Numerical Analysis</topic><topic>Physics - Computational Physics</topic><toplevel>online_resources</toplevel><creatorcontrib>Christlieb, Andrew</creatorcontrib><creatorcontrib>Promislow, Keith</creatorcontrib><creatorcontrib>Tan, Zengqiang</creatorcontrib><creatorcontrib>Wang, Sulin</creatorcontrib><creatorcontrib>Wetton, Brian</creatorcontrib><creatorcontrib>Wise, Steven M</creatorcontrib><collection>arXiv Computer Science</collection><collection>arXiv Mathematics</collection><collection>arXiv.org</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Christlieb, Andrew</au><au>Promislow, Keith</au><au>Tan, Zengqiang</au><au>Wang, Sulin</au><au>Wetton, Brian</au><au>Wise, Steven M</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Benchmark Computation of Morphological Complexity in the Functionalized Cahn-Hilliard Gradient Flow</atitle><date>2020-06-08</date><risdate>2020</risdate><abstract>Reductions of the self-consistent mean field theory model of amphiphilic
molecules in solvent can lead to a singular family of functionalized
Cahn-Hilliard energies. We modify these energies, mollifying the singularities
to stabilize the computation of the gradient flows and develop a series of
benchmark problems that emulate the "morphological complexity" observed in
experiments. These benchmarks investigate the delicate balance between the rate
of absorption of amphiphilic material onto an interface and a least energy
mechanism to disperse the arriving mass. The result is a trichotomy of
responses in which two-dimensional interfaces either lengthen by a regularized
motion against curvature, undergo pearling bifurcations, or split directly into
networks of interfaces. We evaluate a number of schemes that use second order
BDF2-type time stepping coupled with Fourier pseudo-spectral spatial
discretization. The BDF2-type schemes are either based on a fully implicit time
discretization with a PSD nonlinear solver, or upon IMEX, SAV, ETD approaches.
All schemes use a fixed local truncation error target with adaptive
time-stepping to achieve the error target. Each scheme requires proper
"preconditioning" to achieve robust performance that can enhance efficiency by
several orders of magnitude.</abstract><doi>10.48550/arxiv.2006.04784</doi><oa>free_for_read</oa></addata></record> |
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title | Benchmark Computation of Morphological Complexity in the Functionalized Cahn-Hilliard Gradient Flow |
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