Search results for " Soft"
showing 10 items of 1710 documents
Numerical test of finite-size scaling predictions for the droplet condensation-evaporation transition
2016
We numerically study the finite-size droplet condensation-evaporation transition in two dimensions. We consider and compare two orthogonal approaches, namely at fixed temperature and at fixed density, making use of parallel multicanonical simulations. The equivalence between Ising model and lattice gas allows us to compare to analytical predictions. We recover the known background density (at fixed temperature) and transition temperature (at fixed density) in the thermodynamic limit and compare our finite-size deviations to the predicted leading-order finite-size corrections.
Emergent pattern formation of active magnetic suspensions in an external field
2020
We study collective self-organization of weakly magnetic active suspensions in a uniform external field by analyzing a mesoscopic continuum model that we have recently developed. Our model is based on a Smoluchowski equation for a particle probability density function in an alignment field coupled to a mean-field description of the flow arising from the activity and the alignment torque. Performing linear stability analysis of the Smoluchowski equation and the resulting orientational moment equations combined with non-linear 3D simulations, we provide a comprehensive picture of instability patterns as a function of strengths of activity and magnetic field. For sufficiently high activity and…
Mode coupling theory for molecular liquids: What can we learn from a system of hard ellipsoids?
1999
Molecular fluids show rich and complicated dynamics close to the glass transition. Some of these observations are related to the fact that translational and orientational degrees of freedom couple in nontrivial ways. A model system which can serve as a paradigm to understand these couplings is a system of hard ellipsoids of revolution. To test this we compare at the ideal glass transition the static molecular correlators of a linear A-B Lennard-Jones molecule obtained from a molecular dynamics simulation with a selected fluid of hard ellipsoids for which the static correlators have been obtained using Percus-Yevick theory. We also demonstrate that the critical non-ergodicity parameters obta…
Ideal bulk pressure of active Brownian particles
2016
The extent to which active matter might be described by effective equilibrium concepts like temperature and pressure is currently being discussed intensely. Here, we study the simplest model, an ideal gas of noninteracting active Brownian particles. While the mechanical pressure exerted onto confining walls has been linked to correlations between particles' positions and their orientations, we show that these correlations are entirely controlled by boundary effects. We also consider a definition of local pressure, which describes interparticle forces in terms of momentum exchange between different regions of the system. We present three pieces of analytical evidence which indicate that such…
On quantum effects near the liquid-vapor transition in helium
2001
The liquid-vapor transition in He-3 and He-4 is investigated by means of path-integral molecular dynamics and the quantum virial expansion. Both methods are applied to the critical isobar and the critical isochore. While previous path-integral simulations have mainly considered the lambda transition and superfluid regime in He-4, we focus on the vicinity of the critical point and obtain good agreement with experimental results for the molar volume and the internal energy down to subcritical temperatures. We find that an effective classical potential that properly describes the two-particle radial distribution function exhibits a strong temperature dependence near the critical temperature. T…
Kerr effect as a tool for the investigation of dynamic heterogeneities
2006
We propose a dynamic Kerr effect experiment for the distinction between dynamic heterogeneous and homogeneous relaxation in glassy systems. The possibility of this distinction is due to the inherent nonlinearity of the Kerr effect signal. We model the slow reorientational molecular motion in supercooled liquids in terms of non-inertial rotational diffusion. The Kerr effect response, consisting of two terms, is calculated for heterogeneous and for homogeneous variants of the stochastic model. It turns out that the experiment is able to distinguish between the two scenarios. We furthermore show that exchange between relatively 'slow' and 'fast' environments does not affect the possibility of …
Disentangling boson peaks and Van Hove singularities in a model glass
2018
Using the example of a two-dimensional macroscopic model glass in which the interparticle forces can be precisely measured, we obtain strong hints for resolving a controversy concerning the origin of the anomalous enhancement of the vibrational spectrum in glasses (boson peak). Whereas many authors attribute this anomaly to the structural disorder, some other authors claim that the short-range order, leading to washed-out Van Hove singularities, would cause the boson-peak anomaly. As in our model system, the disorder-induced and shortrange--order-induced features can be completely separated, we are able to discuss the controversy about the boson peak in real glasses in a new light. Our find…
Force-clamp spectroscopy of reversible bond breakage.
2008
We consider reversible breaking of adhesion bonds or folding of proteins under the influence of a constant external force. We discuss the stochastic properties of the unbinding/rebinding events and analyze their mean number and their variance in the framework of simple two-state models. In the calculations, we exploit the analogy to single molecule fluorescence and particularly between unbinding/rebinding and photon emission events. Environmental fluctuation models are used to describe deviations from Markovian behavior. The second moment of the event-number distribution is found to be very sensitive to possible exchange processes and can thus be used to identify temporal fluctuations of th…
Diffusion between evolving interfaces
2010
Diffusion in an evolving environment is studied by continuos-time Monte Carlo simulations. Diffusion is modelled by continuos-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional interfaces driven symmetrically towards each other. For one-dimensional random walkers constrained by the interfaces, the bubble size distribution domi- nates diffusion. For two-dimensional random walkers, it is also controlled by the topography and dynamics of the interfaces. The results of the one-dimensional case are recovered in the limit where the interfaces are strongly driven. Even with simple hard-core repulsion between the interfaces and the particles, …
Molecular correlations in a supercooled liquid
1998
We present static and dynamic properties of molecular correlation functions S_{lmn,l'm'n'}(q,t) in a simulated supercooled liquid of water molecules, as a preliminary effort in the direction of solving the molecular mode coupling theory (MMCT) equations for supercooled molecular liquids. The temperature and time dependence of various molecular correlation functions, calculated from 250 ns long molecular dynamics simulations, show the characteristic patterns predicted by MMCT and shed light on the driving mechanism responsible for the slowing down of the molecular dynamics. We also discuss the symmetry properties of the molecular correlation functions which can be predicted on the basis of t…