Search results for " Soft"
showing 10 items of 1710 documents
Glassy dynamics in confinement: planar and bulk limits of the mode-coupling theory.
2014
We demonstrate how the matrix-valued mode-coupling theory of the glass transition and glassy dynamics in planar confinement converges to the corresponding theory for two-dimensional (2D) planar and the three-dimensional bulk liquid, provided the wall potential satisfies certain conditions. Since the mode-coupling theory relies on the static properties as input, the emergence of a homogeneous limit for the matrix-valued intermediate scattering functions is directly connected to the convergence of the corresponding static quantities to their conventional counterparts. We show that the 2D limit is more subtle than the bulk limit, in particular, the in-planar dynamics decouples from the motion …
Implementing consistent NLO factorization in single inclusive forward hadron production
2017
Single inclusive forward hadron production in high-energy hadron collisions can provide an important test of the Color Glass Condensate picture at small $x$. Recent studies of this process at next-to-leading order have led to problematic results, with cross sections becoming negative at large transverse momenta. We study a new formulation of this quantity proposed recently by Iancu et al. We show that it leads to physical results up to large transverse momenta at fixed coupling. Taking into account running coupling effects in a way that is consistent with existing DIS calculations still poses a challenge.
Study and implementation of a soft X-ray 100 eV -20 keV fixed exit monochromator system
2006
We describe a “built in house” X-ray monochromator which produces a fixed exit X-ray beam tunable in the full energy range 0.1 - 20 keV. The system is based on a double diffraction on two large size parallel crystals positioned using a remotely controlled micropositioning system in order to keep the position of the monochromatic beam for any chosen energy. Up to six different diffracting elements can be selected without breaking the vacuum. This allows to cover the full energy range of interest. The system is part of an upgrading project of the XACT facility at the Istituto Nazionale di Astrofisica - Osservatorio Astronomico di Palermo G.S. Vaiana, and will be employed for the testing and c…
Anisotropy and memory during cage breaking events close to a wall
2016
The slow dynamics in a glassy hard-sphere system is dominated by cage breaking events, i.e., rearrangements where a particle escapes from the cage formed by its neighboring particles. We study such events for an overdamped colloidal system by the means of Brownian dynamics simulations. While it is difficult to relate cage breaking events to structural mean field results in bulk, we show that the microscopic dynamics of particles close to a wall can be related to the anisotropic two-particle density. In particular, we study cage-breaking trajectories, mean forces on a tracked particle, and the impact of the history of trajectories. Based on our simulation results, we further construct two di…
BoltzmaNN: Predicting effective pair potentials and equations of state using neural networks
2019
Neural networks (NNs) are employed to predict equations of state from a given isotropic pair potential using the virial expansion of the pressure. The NNs are trained with data from molecular dynamics simulations of monoatomic gases and liquids, sampled in the NVT ensemble at various densities. We find that the NNs provide much more accurate results compared to the analytic low-density limit estimate of the second virial coefficient and the Carnahan-Starling equation of state for hard sphere liquids. Furthermore, we design and train NNs for computing (effective) pair potentials from radial pair distribution functions, g(r), a task that is often performed for inverse design and coarse-graini…
Computer simulations of single particles in external electric fields
2015
Applying electric fields is an attractive way to control and manipulate single particles or molecules, e.g., in lab-on-a-chip devices. However, the response of nanosize objects in electrolyte solution to external fields is far from trivial. It is the result of a variety of dynamical processes taking place in the ion cloud surrounding charged particles and in the bulk electrolyte, and it is governed by an intricate interplay of electrostatic and hydrodynamic interactions. Already systems composed of one single particle in electrolyte solution exhibit a complex dynamical behaviour. In this review, we discuss recent coarse-grained simulations that have been performed to obtain a molecular-leve…
Out of Equilibrium Characteristics of a Forced Translocating Chain through a Nanopore
2009
Polymer translocation through a nano-pore in a thin membrane is studied using a coarse-grained bead-spring model and Langevin dynamics simulation with a particular emphasis to explore out of equilibrium characteristics of the translocating chain. We analyze the out of equilibrium chain conformations both at the $cis$ and the $trans$ side separately either as a function of the time during the translocation process or as as function of the monomer index $m$ inside the pore. A detailed picture of translocation emerges by monitoring the center of mass of the translocating chain, longitudinal and transverse components of the gyration radii and the end to end vector. We observe that polymer confi…
Diffusion in Flashing Periodic Potentials
2005
The one-dimensional overdamped Brownian motion in a symmetric periodic potential modulated by external time-reversible noise is analyzed. The calculation of the effective diffusion coefficient is reduced to the mean first passage time problem. We derive general equations to calculate the effective diffusion coefficient of Brownian particles moving in arbitrary supersymmetric potential modulated: (i) by external white Gaussian noise and (ii) by Markovian dichotomous noise. For both cases the exact expressions for the effective diffusion coefficient are derived. We obtain acceleration of diffusion in comparison with the free diffusion case for fast fluctuating potentials with arbitrary profil…
Estimation of the critical behavior in an active colloidal system with Vicsek-like interactions
2016
We study numerically the critical behavior of a modified, active Asakura-Oosawa model for colloid-polymer mixtures. The colloids are modeled as self-propelled particles with Vicsek-like interactions. This system undergoes phase separation between a colloid-rich and a polymer-rich phase, whereby the phase diagram depends on the strength of the Vicsek-like interactions. Employing a subsystem-block-density distribution analysis, we determine the critical point and make an attempt to estimate the critical exponents. In contrast to the passive model, we find that the critical point is not located on the rectilinear diameter. A first estimate of the critical exponents $\beta$ and $\nu$ is consist…
Computing the full two-loop gluon Regge trajectory within Lipatov's high energy effective action
2013
We discuss computational details of our recent result, namely, the first derivation of the two-loop gluon Regge trajectory within the framework of Lipatov's high energy effective action. In particular, we elaborate on the direct evaluation of Feynman two-loop diagrams by using the Mellin-Barnes representations technique. Our result is in precise agreement with previous computations in the literature, providing this way a highly non-trivial test of the effective action and the proposed subtraction and renormalization scheme combined with our approach for the treatment of the loop diagrams.