Active Brownian filaments with hydrodynamic interactions: conformations and dynamics
The conformational and dynamical properties of active self-propelled filaments/polymers are investigated in the presence of hydrodynamic interactions by both, Brownian dynamics simulations and analytical theory. Numerically, a discrete linear chain composed of active Brownian particles is considered...
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Veröffentlicht in: | Soft matter 2019-05, Vol.15 (19), p.3957-3969 |
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description | The conformational and dynamical properties of active self-propelled filaments/polymers are investigated in the presence of hydrodynamic interactions by both, Brownian dynamics simulations and analytical theory. Numerically, a discrete linear chain composed of active Brownian particles is considered, analytically, a continuous linear semiflexible polymer with active velocities changing diffusively. The force-free nature of active monomers is accounted for-no Stokeslet fluid flow induced by active forces-and higher order hydrodynamic multipole moments are neglected. Hence, fluid-mediated interactions are assumed to arise solely due to intramolecular forces. The hydrodynamic interactions (HI) are taken into account analytically by the preaveraged Oseen tensor, and numerically by the Rotne-Prager-Yamakawa tensor. The nonequilibrium character of the active process implies a dependence of the stationary-state properties on HI
via
the polymer relaxation times. In particular, at moderate activities, HI lead to a substantial shrinkage of flexible and semiflexible polymers to an extent far beyond shrinkage of comparable free-draining polymers; even flexible HI-polymers shrink, while active free-draining polymers swell monotonically. Large activities imply a reswelling, however, to a less extent than for non-HI polymers, caused by the shorter polymer relaxation times due to hydrodynamic interactions. The polymer mean square displacement is enhanced, and an activity-determined ballistic regime appears. Over a wide range of time scales, flexible active polymers exhibit a hydrodynamically governed subdiffusive regime, with an exponent significantly smaller than that of the Rouse and Zimm models of passive polymers. Compared to simulations, the analytical approach predicts a weaker hydrodynamic effect. Overall, hydrodynamic interactions modify the conformational and dynamical properties of active polymers substantially.
Hydrodynamic interactions determine both dynamical and conformational properties of polymers with self-propelled monomers. Simulations and mean-field theory predict activity-dependent compact or swollen structures. |
doi_str_mv | 10.1039/c9sm00391f |
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via
the polymer relaxation times. In particular, at moderate activities, HI lead to a substantial shrinkage of flexible and semiflexible polymers to an extent far beyond shrinkage of comparable free-draining polymers; even flexible HI-polymers shrink, while active free-draining polymers swell monotonically. Large activities imply a reswelling, however, to a less extent than for non-HI polymers, caused by the shorter polymer relaxation times due to hydrodynamic interactions. The polymer mean square displacement is enhanced, and an activity-determined ballistic regime appears. Over a wide range of time scales, flexible active polymers exhibit a hydrodynamically governed subdiffusive regime, with an exponent significantly smaller than that of the Rouse and Zimm models of passive polymers. Compared to simulations, the analytical approach predicts a weaker hydrodynamic effect. Overall, hydrodynamic interactions modify the conformational and dynamical properties of active polymers substantially.
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via
the polymer relaxation times. In particular, at moderate activities, HI lead to a substantial shrinkage of flexible and semiflexible polymers to an extent far beyond shrinkage of comparable free-draining polymers; even flexible HI-polymers shrink, while active free-draining polymers swell monotonically. Large activities imply a reswelling, however, to a less extent than for non-HI polymers, caused by the shorter polymer relaxation times due to hydrodynamic interactions. The polymer mean square displacement is enhanced, and an activity-determined ballistic regime appears. Over a wide range of time scales, flexible active polymers exhibit a hydrodynamically governed subdiffusive regime, with an exponent significantly smaller than that of the Rouse and Zimm models of passive polymers. Compared to simulations, the analytical approach predicts a weaker hydrodynamic effect. Overall, hydrodynamic interactions modify the conformational and dynamical properties of active polymers substantially.
Hydrodynamic interactions determine both dynamical and conformational properties of polymers with self-propelled monomers. Simulations and mean-field theory predict activity-dependent compact or swollen structures.</description><issn>1744-683X</issn><issn>1744-6848</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNpFkb1PwzAQxS0EoqWwsIM8IqRAHDuJzVYqCkhFDBSJLXL8oRoldrETqv73mLaU6d7d_e4N7wA4R-kNSjG7FSy0aRRIH4AhKglJCkro4V7jjwE4CeEzMpSg4hgMMEpRRigagvlYdOZbwXvvVtZwC7VpeKtsF-DKdAu4WEvv5Nry1ghobKc8jwfOhjsonNXOt3zTQm4l3HHhFBxp3gR1tqsj8D59mE-ektnr4_NkPEsEpmWXiJIgTSQhWGCmioILoUqsKSmYzhWlWMpc5rmu45hRXgrEi1yRmmrBEK8JHoGrre_Su69eha5qTRCqabhVrg9VliGMCMtJFtHrLSq8C8ErXS29ablfVyitflOsJuztZZPiNMKXO9--bpXco3-xReBiC_gg9tv_N-AfaAx5DA</recordid><startdate>20190515</startdate><enddate>20190515</enddate><creator>Martín-Gómez, Aitor</creator><creator>Eisenstecken, Thomas</creator><creator>Gompper, Gerhard</creator><creator>Winkler, Roland G</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-7513-0796</orcidid><orcidid>https://orcid.org/0000-0002-8904-0986</orcidid><orcidid>https://orcid.org/0000-0001-7874-944X</orcidid></search><sort><creationdate>20190515</creationdate><title>Active Brownian filaments with hydrodynamic interactions: conformations and dynamics</title><author>Martín-Gómez, Aitor ; Eisenstecken, Thomas ; Gompper, Gerhard ; Winkler, Roland G</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c387t-c741f4d443c39e66acce73f8469f5e883dd5d55fbce798a7c1a65e4b8fc91ab43</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Martín-Gómez, Aitor</creatorcontrib><creatorcontrib>Eisenstecken, Thomas</creatorcontrib><creatorcontrib>Gompper, Gerhard</creatorcontrib><creatorcontrib>Winkler, Roland G</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Soft matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Martín-Gómez, Aitor</au><au>Eisenstecken, Thomas</au><au>Gompper, Gerhard</au><au>Winkler, Roland G</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Active Brownian filaments with hydrodynamic interactions: conformations and dynamics</atitle><jtitle>Soft matter</jtitle><addtitle>Soft Matter</addtitle><date>2019-05-15</date><risdate>2019</risdate><volume>15</volume><issue>19</issue><spage>3957</spage><epage>3969</epage><pages>3957-3969</pages><issn>1744-683X</issn><eissn>1744-6848</eissn><abstract>The conformational and dynamical properties of active self-propelled filaments/polymers are investigated in the presence of hydrodynamic interactions by both, Brownian dynamics simulations and analytical theory. Numerically, a discrete linear chain composed of active Brownian particles is considered, analytically, a continuous linear semiflexible polymer with active velocities changing diffusively. The force-free nature of active monomers is accounted for-no Stokeslet fluid flow induced by active forces-and higher order hydrodynamic multipole moments are neglected. Hence, fluid-mediated interactions are assumed to arise solely due to intramolecular forces. The hydrodynamic interactions (HI) are taken into account analytically by the preaveraged Oseen tensor, and numerically by the Rotne-Prager-Yamakawa tensor. The nonequilibrium character of the active process implies a dependence of the stationary-state properties on HI
via
the polymer relaxation times. In particular, at moderate activities, HI lead to a substantial shrinkage of flexible and semiflexible polymers to an extent far beyond shrinkage of comparable free-draining polymers; even flexible HI-polymers shrink, while active free-draining polymers swell monotonically. Large activities imply a reswelling, however, to a less extent than for non-HI polymers, caused by the shorter polymer relaxation times due to hydrodynamic interactions. The polymer mean square displacement is enhanced, and an activity-determined ballistic regime appears. Over a wide range of time scales, flexible active polymers exhibit a hydrodynamically governed subdiffusive regime, with an exponent significantly smaller than that of the Rouse and Zimm models of passive polymers. Compared to simulations, the analytical approach predicts a weaker hydrodynamic effect. Overall, hydrodynamic interactions modify the conformational and dynamical properties of active polymers substantially.
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title | Active Brownian filaments with hydrodynamic interactions: conformations and dynamics |
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