Search results for " Soft"
showing 10 items of 1710 documents
Anomalous critical slowdown at a first order phase transition in single polymer chains
2017
Using Brownian Dynamics, we study the dynamical behavior of a polymer grafted onto an adhesive surface close to the mechanically induced adsorption-stretching transition. Even though the transition is first order, (in the infinite chain length limit, the stretching degree of the chain jumps discontinuously), the characteristic relaxation time is found to grow according to a power law as the transition point is approached. We present a dynamic effective interface model which reproduces these observations and provides an excellent quantitaive description of the simulations data. The generic nature of the theoretical model suggests that the unconventional mixing of features that are characteri…
Critical behavior of active Brownian particles
2017
We study active Brownian particles as a paradigm for a genuine nonequilibrium phase transition requiring steady driving. Access to the critical point in computer simulations is obstructed by the fact that the density is conserved. We propose a method based on arguments from finite-size scaling to determine critical points and successfully test it for the two-dimensional (2D) Ising model. Using this method allows us to accurately determine the critical point of two-dimensional active Brownian particles at ${\mathrm{Pe}}_{\text{cr}}=40(2), {\ensuremath{\phi}}_{\text{cr}}=0.597(3)$. Based on this estimate, we study the corresponding critical exponents $\ensuremath{\beta}, \ensuremath{\gamma}/\…
Fluids in extreme confinement.
2012
For extremely confined fluids with two-dimensional density $n$ in slit geometry of accessible width $L$, we prove that in the limit $L\to 0$ the lateral and transversal degrees of freedom decouple, and the latter become ideal-gas-like. For small wall separation the transverse degrees of freedom can be integrated out and renormalize the interaction potential. We identify $n L^2 $ as hidden smallness parameter of the confinement problem and evaluate the effective two-body potential analytically, which allows calculating the leading correction to the free energy exactly. Explicitly, we map a fluid of hard spheres in extreme confinement onto a 2d-fluid of disks with an effective hard-core diame…
Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles
2015
Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation onto that of passive fluids with …
Controlling stability and transport of magnetic microswimmers by an external field
2019
We investigate the hydrodynamic stability and transport of magnetic microswimmers in an external field using a kinetic theory framework. Combining linear stability analysis and nonlinear 3D continuum simulations, we show that for sufficiently large activity and magnetic field strengths, a homogeneous polar steady state is unstable for both puller and pusher swimmers. This instability is caused by the amplification of anisotropic hydrodynamic interactions due to the external alignment and leads to a partial depolarization and a reduction of the average transport speed of the swimmers in the field direction. Notably, at higher field strengths a reentrant hydrodynamic stability emerges where t…
Membrane-mediated Protein-protein Interaction: A Monte Carlo Study
2012
We investigate membrane-mediated interactions between transmembrane proteins using coarse-grained models. We compare the effective potential of mean force (PMF) between two proteins, which are always aligned parallel to the z-axis of the simulation box, with those PMFs obtained for proteins with fluctuating orientations. The PMFs are dominated by an oscillatory packing-driven contribution and a smooth attractive hydrophobic mismatch contribution, which vanishes if the hydrophobic length of the protein matches the thickness of the membrane. If protein orientations are allowed to fluctuate, the oscillations are greatly reduced compared to proteins with fixed orientation. Furthermore, the hydr…
Phase Equilibria of Lattice Polymers from Histogram Reweighting Monte Carlo Simulations
1998
Histogram-reweighting Monte Carlo simulations were used to obtain polymer / solvent phase diagrams for lattice homopolymers of chain lengths up to r=1000 monomers. The simulation technique was based on performing a series of grand canonical Monte Carlo calculations for a small number of state points and combining the results to obtain the phase behavior of a system over a range of temperatures and densities. Critical parameters were determined from mixed-field finite-size scaling concepts by matching the order parameter distribution near the critical point to the distribution for the three-dimensional Ising universality class. Calculations for the simple cubic lattice (coordination number z…
Calibration of a camera-projector monochromatic system
2015
Camera–projector systems are increasingly being used in many different applications, including object reconstruction. In recent years, a number of approaches have been proposed to calibrate such devices; in this paper a calibration method is presented which can be used with monochromatic systems. The method is based on open-source code, makes use of planar calibration patterns, is fully automatic, easy to use and fast. Additionally, no initial information regarding the camera interior orientation is needed, and both sensors (camera and projector) are fully calibrated during the process. The method is validated by a series of tests, where root mean square errors (RMSEs) in image space are ke…
The escape transition of a compressed star polymer: Self-consistent field predictions tested by simulation
2013
The escape transition of a polymer "mushroom" (a flexible chain grafted to a flat non-adsorbing substrate surface in a good solvent) occurs when the polymer is compressed by a cylindrical piston of radius $R$, that by far exceeds the chain gyration radius. At this transition, the chain conformation abruptly changes from a two-dimensional self-avoiding walk of blobs (of diameter $H$, the height of the piston above the substrate) to a "flower conformation", i.e. stretched almost one-dimensional string of blobs (with end-to-end distance $\approx R$) and an "escaped" part of the chain, the "crown", outside the piston. The extension of this problem to the case of star polymers with $f$ arms is c…
A QCD analysis for nuclear PDFs at NNLO
2019
A new QCD analysis for nuclear parton distribution functions (nPDFs) at next-to-leading order (NLO) and next-to-next-to-leading order (NNLO) is presented. The framework of the analysis, including the form of the parameterization as well as the included DIS data sets, are discussed. The results of this QCD analysis are compared to the existing nPDF sets and to the fitted data. The presented framework is based on an open-source tool, xFitter, which has been modified to be applicable also for a nuclear PDF analysis. The required modifications are covered as well. Finally, an outlook for the next developments of the QCD analysis for nuclear PDFs is given.