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@INPROCEEDINGS{Naegele:911667,
      author       = {Naegele, Gerhard and Tan, Zihan and Dhont, Jan K. G.},
      title        = {{C}lustering and dynamics in {Q}2{D} dispersions of
                      proteins with competing interactions},
      reportid     = {FZJ-2022-04922},
      year         = {2022},
      abstract     = {Dispersions of globular proteins or colloids with competing
                      short-range attractive (SA) and long-range repulsive (LR)
                      interactions exhibit a rich phase behavior with a variety of
                      different cluster phases. While three-dimensional SALR
                      dispersions have been intensely studied also regarding their
                      cluster dynamics, little is known about the structure and
                      dynamics of quasi-two-dimensional (Q2D) dispersions. The
                      SALR particles in a Q2D dispersion form a planar monolayer
                      inside the bulk fluid, with their centres confined to
                      in-plane Brownian motion. The interplay of Q2D motion, SALR
                      direct interactions and solvent-mediated hydrodynamic
                      interactions (HIs) give rise to peculiar effects such as
                      anomalously enhanced collective diffusion. Using Langevin
                      dynamics simulations, we have determined the generalized
                      phase diagram, and cluster shape and size distributions of a
                      generic Q2D model dispersion of SALR particles. The
                      particles in the monolayer are described as Brownian spheres
                      interacting via short-range attractive generalized
                      Lenard-Jones and long-range repulsive screened Coulomb
                      potential contributions. These interactions apply, e.g., to
                      protein solutions under low-salinity conditions.
                      Additionally, in an elaborate multiparticle collision
                      dynamics (MPC) simulation study, we explored hydrodynamic
                      and direct interaction effects on the Q2D translational and
                      rotational particles diffusion. The MPC study covers a broad
                      range of correlation times, from very short times where the
                      particle dynamics is non-instantaneously affected by sound
                      propagation and transversal momentum diffusion in the
                      solvent, to long times where HIs are fully developed. We
                      analyzed the concentration dependence of collective
                      diffusion at different wavenumbers, in conjunction with
                      mean-squared displacements and real-space van Hove functions
                      characterizing self- and collective diffusion, and
                      non-Gaussian dynamics. To reveal the development of
                      inter-particles HIs by multiple scattering of sound and
                      vorticity diffusion, we examined velocity self- and
                      cross-correlations in conjunction with associated
                      time-dependent hydrodynamic functions.},
      month         = {Sep},
      date          = {2022-09-04},
      organization  = {European Colloid and Interface Society
                       Conference 2022, Crete (Greece), 4 Sep
                       2022 - 9 Sep 2022},
      subtyp        = {After Call},
      cin          = {IBI-4},
      cid          = {I:(DE-Juel1)IBI-4-20200312},
      pnm          = {5244 - Information Processing in Neuronal Networks
                      (POF4-524)},
      pid          = {G:(DE-HGF)POF4-5244},
      typ          = {PUB:(DE-HGF)6},
      url          = {https://juser.fz-juelich.de/record/911667},
}