A new Monte Carlo method for direct estimation of cluster partition functions. Application to micellar aggregates

1982 ◽  
Vol 77 (2) ◽  
pp. 979-985 ◽  
Author(s):  
Lawrence R. Pratt
1970 ◽  
Vol 7 (2) ◽  
pp. 373-387 ◽  
Author(s):  
Richard Gordon

A Monte Carlo method is proposed and demonstrated for obtaining an approximate algebraic solution to linear equations with algebraic coefficients arising from first order master equations at steady state. Exact solutions are hypothetically obtainable from the spanning trees of an associated graph, each tree contributing an algebraic term. The number of trees can be enormous. However, because of a high degeneracy, many trees yield the same algebraic term. Thus an approximate algebraic solution may be obtained by taking a Monte Carlo sampling of the trees, which yields an estimate of the frequency of each algebraic term. The accuracy of such solutions is discussed and algorithms are given for picking spanning trees of a graph with uniform probability. The argument is developed in terms of a lattice model for membrane transport, but should be generally applicable to problems in unimolecular kinetics and network analysis. The solution of partition functions and multivariable problems by analogous methods is discussed.


1998 ◽  
Vol 13 (21) ◽  
pp. 3723-3747 ◽  
Author(s):  
ANDERS KRISTOFFERSEN ◽  
STEFAN MASHKEVICH ◽  
JAN MYRHEM ◽  
KÅRE OLAUSSEN

We have computed by a Monte Carlo method the fourth virial coefficient of free anyons, as a function of the statistics angle θ. It can be fitted by a four term Fourier series, in which two coefficients are fixed by the known perturbative results at the boson and fermion points. We compute partition functions by means of path integrals, which we represent diagramatically in such a way that the connected diagrams give the cluster coefficients. This provides a general proof that all cluster and virial coefficients are finite. We give explicit polynomial approximations for all path integral contributions to all cluster coefficients, implying that only the second virial coefficient is statistics dependent, as is the case for two-dimensional exclusion statistics. The assumption leading to these approximations is that the tree diagrams dominate and factorize.


1970 ◽  
Vol 7 (02) ◽  
pp. 373-387 ◽  
Author(s):  
Richard Gordon

A Monte Carlo method is proposed and demonstrated for obtaining an approximate algebraic solution to linear equations with algebraic coefficients arising from first order master equations at steady state. Exact solutions are hypothetically obtainable from the spanning trees of an associated graph, each tree contributing an algebraic term. The number of trees can be enormous. However, because of a high degeneracy, many trees yield the same algebraic term. Thus an approximate algebraic solution may be obtained by taking a Monte Carlo sampling of the trees, which yields an estimate of the frequency of each algebraic term. The accuracy of such solutions is discussed and algorithms are given for picking spanning trees of a graph with uniform probability. The argument is developed in terms of a lattice model for membrane transport, but should be generally applicable to problems in unimolecular kinetics and network analysis. The solution of partition functions and multivariable problems by analogous methods is discussed.


1974 ◽  
Vol 22 ◽  
pp. 307 ◽  
Author(s):  
Zdenek Sekanina

AbstractIt is suggested that the outbursts of Periodic Comet Schwassmann-Wachmann 1 are triggered by impacts of interplanetary boulders on the surface of the comet’s nucleus. The existence of a cloud of such boulders in interplanetary space was predicted by Harwit (1967). We have used the hypothesis to calculate the characteristics of the outbursts – such as their mean rate, optically important dimensions of ejected debris, expansion velocity of the ejecta, maximum diameter of the expanding cloud before it fades out, and the magnitude of the accompanying orbital impulse – and found them reasonably consistent with observations, if the solid constituent of the comet is assumed in the form of a porous matrix of lowstrength meteoric material. A Monte Carlo method was applied to simulate the distributions of impacts, their directions and impact velocities.


Author(s):  
Makoto Shiojiri ◽  
Toshiyuki Isshiki ◽  
Tetsuya Fudaba ◽  
Yoshihiro Hirota

In hexagonal Se crystal each atom is covalently bound to two others to form an endless spiral chain, and in Sb crystal each atom to three others to form an extended puckered sheet. Such chains and sheets may be regarded as one- and two- dimensional molecules, respectively. In this paper we investigate the structures in amorphous state of these elements and the crystallization.HRTEM and ED images of vacuum-deposited amorphous Se and Sb films were taken with a JEM-200CX electron microscope (Cs=1.2 mm). The structure models of amorphous films were constructed on a computer by Monte Carlo method. Generated atoms were subsequently deposited on a space of 2 nm×2 nm as they fulfiled the binding condition, to form a film 5 nm thick (Fig. 1a-1c). An improvement on a previous computer program has been made as to realize the actual film formation. Radial distribution fuction (RDF) curves, ED intensities and HRTEM images for the constructed structure models were calculated, and compared with the observed ones.


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