Search results for "MONTE CARLO"

The Belle II Physics Book

2019

cd. autorów: L. Cao48,‡, G. Caria145,‡, G. Casarosa57,‡, C. Cecchi56,‡,D. Cˇ ervenkov10,‡,M.-C. Chang22,‡, P. Chang92,‡, R. Cheaib146,‡, V. Chekelian83,‡, Y. Chen154,‡, B. G. Cheon28,‡, K. Chilikin77,‡, K. Cho70,‡, J. Choi14,‡, S.-K. Choi27,‡, S. Choudhury35,‡, D. Cinabro170,‡, L. M. Cremaldi146,‡, D. Cuesta47,‡, S. Cunliffe16,‡, N. Dash33,‡, E. de la Cruz Burelo9,‡, E. de Lucia52,‡, G. De Nardo54,‡, †Editor. ‡Belle II Collaborator. §Theory or external contributing author. M. De Nuccio16,‡, G. De Pietro59,‡, A. De Yta Hernandez9,‡, B. Deschamps129,‡, M. Destefanis60,‡, S. Dey116,‡, F.Di Capua54,‡, S.Di Carlo75,‡, J. Dingfelder129,‡, Z. Doležal10,‡, I. Domínguez Jiménez125,‡, T.V. Dong30,26,…

Explicitly Correlated Electrons in Molecules

2011

Coupling between criticality and gelation in "sticky" spheres: a structural analysis.

2018

We combine experiments and simulations to study the link between criticality and gelation in sticky spheres. We employ confocal microscopy to image colloid-polymer mixtures and Monte Carlo simulations of the square-well (SW) potential as a reference model. To this end, we map our experimental samples onto the SW model. We find an excellent structural agreement between experiments and simulations, both for locally favored structures at the single particle level and large-scale fluctuations at criticality. We follow in detail the rapid structural change in the critical fluid when approaching the gas-liquid binodal and highlight the role of critical density fluctuations for this structural cro…

Concentration and energy fluctuations in a critical polymer mixture

1995

A semi-grand-canonical Monte Carlo algorithm is employed in conjunction with the bond fluctuation model to investigate the critical properties of an asymmetric binary (AB) polymer mixture. By applying the equal peak-weight criterion to the concentration distribution, the coexistence curve separating the A-rich and B-rich phases is identified as a function of temperature and chemical potential. To locate the critical point of the model, the cumulant intersection method is used. The accuracy of this approach for determining the critical parameters of fluids is assessed. Attention is then focused on the joint distribution function of the critical concentration and energy, which is analysed usi…

Monte Carlo Study of Critical Point Shifts in Thin Films

2000

We report preliminary results of Monte Carlo simulations of critical point shifts in thin slit-like capillaries. By making use of the isomorphism with an Ising model subject to bulk and surface fields and employing a multi-cluster update algorithm with ghost-spin term we obtain the coexistence curve and the behavior at the critical point for various film thicknesses D.

Monte carlo studies of phase transitions in polymer blends and block copolymer melts

1994

The unmixing transition of both symmetrical polymer blends AB (i.e. chain lengthsNA=NB=N) and asymmetrical ones (NB/NA=2,3) is studied by large-scale Monte Carlo simulations of the bond fluctuation model. Combination of semi-grand-canonical simulation techniques, «histogram reweighting» and finitesize scaling allows an accurate location of the coexistence curve in the critical region. The variation of the critical temperature with chain length (N) is studied and compared to theoretical predictions. For the symmetrical case, use of chain lengths up toN=512 allows a rough estimation of crossover scaling functions for the crossover from Ising to mean-field exponents. The order-disorder transit…

Liquid-vapour phase behaviour of a symmetrical binary fluid mixture

1998

Using Monte-Carlo simulation and mean field calculations, we study the liquid-vapour phase diagram of a square well binary fluid mixture as a function of a parameter $\delta$ measuring the relative strength of interactions between particles of dissimilar and similar species. The results reveal a rich variety of liquid-vapour coexistence behaviour as $\delta$ is tuned. Specifically, we uncover critical end point behaviour, a triple point involving a vapour and two liquids of different density, and tricritical behaviour. For a certain range of $\delta$, the mean field calculations also predict a `hidden' (metastable) liquid-vapour binodal.

Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide.

2008

Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the thermally averaged quadrupole-quadrupole interaction. The properties discussed include the vapor-liquid coexistence curve, the vapor pressure along coexistence, and the surface tension. The full isotherms are also accessible over a wide range of temperatures and densities. It is shown that the critical parameters (critical temperature, density, and pressure) depend almost linearly on a quadrupolar parameter q=Q(*4)T*, where Q* is the reduced quadrupole moment of the molecule and T* the reduced temperature. The mode…

A hydrodynamic water quality model for propagation of pollutants in rivers.

2010

Numerical modelling can be a useful tool to assess a receiving water body's quality state. Indeed, the use of mathematical models in river water quality management has become a common practice to show the cause-effect relationship between emissions and water body quality and to design as well as assess the effectiveness of mitigation measures. In the present study, a hydrodynamic river water quality model is presented. The model consists of a quantity and a quality sub-model. The quantity sub-model is based on the Saint Venant equations. The solution of the Saint Venant equations is obtained by means of an explicit scheme based on space-time conservation. The method considers the unificatio…

Connectivity percolation in suspensions of hard platelets

2012

We present a study on connectivity percolation in suspensions of hard platelets by means of Monte Carlo simulation. We interpret our results using a contact-volume argument based on an effective single--particle cell model. It is commonly assumed that the percolation threshold of anisotropic objects scales as their inverse aspect ratio. While this rule has been shown to hold for rod-like particles, we find that for hard plate-like particles the percolation threshold is non-monotonic in the aspect ratio. It exhibits a shallow minimum at intermediate aspect ratios and then saturates to a constant value. This effect is caused by the isotropic-nematic transition pre-empting the percolation tran…