Search results for "Virial theorem"
showing 10 items of 22 documents
About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions
2001
Abstract The local kinetic G( r ) , potential V( r ) and total E( r ) energy densities, calculated at the critical points of 37 H⋯F closed-shell interactions by quantum mechanical methods, have been compared to their estimated values obtained by using an approximate evaluation of G( r ) and the local form of the virial theorem. The results presented here show very small differences between the corresponding quantities, and therefore support the validity of the estimations. Thus, the equations used in this procedure provide useful information for topological studies of experimental electron densities, permitting the evaluation of those energetic properties from the modelling of the topologic…
ON the NATURE of HYDROSTATIC EQUILIBRIUM in GALAXY CLUSTERS
2016
In this paper we investigate the level of hydrostatic equilibrium (HE) in the intra-cluster medium of simulated galaxy clusters, extracted from state-of-the-art cosmological hydrodynamical simulations performed with the Smoothed-Particle-Hydrodynamic code GADGET-3. These simulations include several physical processes, among which stellar and AGN feedback, and have been performed with an improved version of the code that allows for a better description of hydrodynamical instabilities and gas mixing processes. Evaluating the radial balance between the gravitational and hydrodynamical forces, via the gas accelerations generated, we effectively examine the level of HE in every object of the sam…
Universal thermodynamic properties of the intracluster medium over two decades in radius in the X-COP sample
2018
The hot plasma in galaxy clusters is expected to be heated to high temperatures through shocks and adiabatic compression. The thermodynamical properties of the gas encode information on the processes leading to the thermalization of the gas in the cluster's potential well as well as non-gravitational processes such as gas cooling, AGN feedback and kinetic energy. In this work we present the radial profiles of the thermodynamic properties of the intracluster medium (ICM) out to the virial radius for a sample of 12 galaxy clusters selected from the Planck all-sky survey. We determine the universal profiles of gas density, temperature, pressure, and entropy over more than two decades in radius…
On new efficient algorithms for PIMC and PIMD
2002
Abstract The properties of various algorithms, estimators, and high-temperature density matrix (HTDM) decompositions relevant for path integral simulations are discussed. It is shown that Fourier accelerated path integral molecular dynamics (PIMD) completely eliminates slowing down with increasing Trotter number P . A new primitive estimator of the kinetic energy for use in PIMD simulations is found to behave less pathologically than the original virial estimator. In particular, its variance does not increase significantly with P . Two non-primitive HTDM decompositions are compared as well: one decomposition used in the Takahashi Imada algorithm and another one based on an effective propaga…
Crystal nuclei in melts: A Monte Carlo simulation of a model for attractive colloids
2015
As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model but that does not have any discontinuities. In simulations, this model straightforwardly allows the calculation of the pressure from the Virial formula, and the phase transition in the bulk from the liquid to crystalline solid can be accurately located from a study where a stable coexistence of a crystalline slab with a surrounding liquid phase occurs. For this model, crystalline nuclei surrounded by fluid are studied both by identifying the crystal-fluid …
Comment on "Direct linear term in the equation of state of plasmas"
2015
In a recent paper [Phys. Rev. E 91, 013108 (2015)], Kraeft et al. criticize known exact results on the equation of state of quantum plasmas, which have been obtained independently by several authors. They argue about a difference in the definition of the direct two-body function Q(x), which appears in virial expansions of thermodynamical quantities, but Q(x) is not a measurable quantity in itself. Differences in definitions of intermediate quantities are irrelevant, and only differences in physical quantities are meaningful. Beyond Kraeft et al.'s broad statement that there is no agreement at order ρ(5/2) in the virial equation for the pressure, we show that their published results for this…
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…
Calculation of local pressure tensors in systems with many-body interactions
2005
Local pressures are important in the calculation of interface tensions and in analyzing micromechanical behavior. The calculation of local pressures in computer simulations has been limited to systems with pairwise interactions between the particles, which is not sufficient for chemically detailed systems with many-body potentials such as angles and torsions. We introduce a method to calculate local pressures in systems with n-body interactions (n=2,3,4,) based on a micromechanical definition of the pressure tensor. The local pressure consists of a kinetic contribution from the linear momentum of the particles and an internal contribution from dissected many-body interactions by infinitesim…
Individual Estimates of the Virial Factor in 10 Quasars: Implications on the Kinematics of the Broad Line Region
2020
Assuming a gravitational origin for the Fe III$\lambda\lambda$2039-2113 redshift and using microlensing based estimates of the size of the region emitting this feature, we obtain individual measurements of the virial factor, $f$, in 10 quasars. The average values for the Balmer lines, $\langle f_{H\beta}\rangle={\bf 0.43\pm 0.20}$ and $\langle f_{H\alpha}\rangle={\bf 0.50\pm 0.24}$, are in good agreement with the results of previous studies for objects with lines of comparable widths. In the case of Mg II, consistent results, $f_{Mg II} \sim {\bf 0.44}$, can be also obtained accepting a reasonable scaling for the size of the emitting region. The modeling of the cumulative histograms of indi…
Measuring Supermassive Black Hole Masses: Correlation between the Redshifts of the Fe III UV Lines and the Widths of Broad Emission Lines
2019
We test the recently proposed (Mediavilla et al. 2018) black hole mass scaling relationship based on the redshift {with respect to the quasar's rest frame} of the Fe III$\lambda\lambda$2039-2113 line blend. To this end, we fit this feature in the spectra of a well suited sample of quasars, observed with X-shooter at the Very Large Telescope (VLT), whose masses have been independently estimated using the virial theorem. For the quasars of this sample we consistently confirm the redshift of the Fe III$\lambda\lambda$2039-2113 blend and find that it correlates with the squared widths of H$\beta$, H$\alpha$ and Mg II, which are commonly used as a measure of $M_{BH}/R$ to determine masses from t…