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Showing papers on "Dynamic Monte Carlo method published in 1969"



Journal ArticleDOI
TL;DR: In this paper, an a priori calculation of the energy, specific heat and radial distribution function of liquid water at 25°C was made using the Monte Carlo technique and an intermolecular pair potential determined by Rowlinson from the properties of ice and steam.

408 citations


Book ChapterDOI
TL;DR: This chapter presents a view of the problems that have been solved by Monte Carlo in certain areas of heat transfer, and the techniques used in their solution, using only the straightforward Monte Carlo approach.
Abstract: Publisher Summary This chapter presents a view of the problems that have been solved by Monte Carlo in certain areas of heat transfer, and the techniques used in their solution. Only the straightforward Monte Carlo approach has been given. The machine running time of Monte Carlo programs have been discussed. No definitive method of predicting running time exists for most problems. The time used will depend, of course, on the machine used, and perhaps more strongly on the ability of the programmer to pick methods and shortcuts that will reduce the burden on the machine. An example of such a shortcut is the use of special subroutines for computation of such functions as sine and cosine. These routines sacrifice some accuracy to a gain in speed. If problem answers accurate to a few per cent are desired, then the use of eight-place functions from a relatively slow subroutine is a needless luxury, especially if the subroutine is to be used tens of thousands of times. The chapter discusses the fruitless argument as to whether Monte Carlo or some other method is a “better” way of attacking a given problem.

172 citations


Journal ArticleDOI
TL;DR: In this paper, a new method for the generation of long self-avoiding walks on lattice is described, where short self avoiding walks are generated by direct Monte Carlo method, then linked in pairs to form "dimers".
Abstract: A new method for the generation of long self‐avoiding walks on lattice is described: Short self‐avoiding walks—say of length N = 50—are generated by direct Monte Carlo method, then linked in pairs to form “dimers.” Each dimer is tested for intersections between its two halves—those passing the test giving a sample of self‐avoiding walks N = 100, which is dimerized in turn, etc. In this manner the repeated checking for intersections formed with only a few steps (short loops) is substantially avoided, while precisely such intersections are responsible for the heavy attrition with the direct Monte Carlo method. Thus the attrition accompanying the dimerization is quite insignificant even for very large N. With the help of this method walks N = 50 × 27 = 6400 were generated on the 4‐choice cubic lattice, for which the expansion coefficient of the end to end distance is α = 2.2. (The limit reached by others is N ≃ 2000 on the tetrahedral lattice, corresponding to only α ≃ 1.6, while α = 2.2 would require a leng...

101 citations


Journal ArticleDOI
TL;DR: In this article, thermal properties of dense gaseous and liquid argon are calculated using perturbation theory based on the hard-sphere potential, together with an accurately determined pair potential function and the triple-dipole dispersion three-body interaction.
Abstract: Thermodynamic properties of dense gaseous and liquid argon are calculated using perturbation theory based on the hard-sphere potential, together with an accurately determined pair potential function and the triple-dipole dispersion three-body interaction. The first-order contribution of the three-body interaction is calculated both by a Monte Carlo method and by the use of the superposition approximation for the three-body distribution function, with good agreement. Monte Carlo estimates are also found for second-order contributions of the three-body interactions, which prove to be small. Agreement with experiment is excellent at high temperatures and good at low temperatures. Slight discrepancies at low temperatures are probably due partly to the use of the ‘local compressibility’ approximation and perhaps partly to slight uncertainty in the pair potential in the neighbourhood of its zero.

80 citations


Journal ArticleDOI
TL;DR: In this paper, Monte Carlo calculations predict a strong anisotropy of the high field electron diffusion rate for GaAs, which is a strong indicator of high-energy electron diffusion.

72 citations


Journal ArticleDOI
TL;DR: In this paper, it was shown that deviations from exponential growth of current with increasing electrode separation occur if the interelectrode voltage is not at least three times the mean energy of electrons impinging on the anode.
Abstract: New Monte Carlo methods of calculation for tracing the motion of electrons in gases are described. Two problems have been treated by these methods, and the techniques applied to electron swarms in neon. Firstly, the probability of back-scatter of electrons to the cathode has been estimated for values of E/p0 between 10 and 200 V cm-1 torr-1 (E is the electric field and p0 the pressure reduced to 0 °C) and for emission energies up to the lowest excitation potential. Secondly, Townsend primary ionization coefficients α/p0 and drift velocities have been evaluated for values of E/p0 from 20 to 400 V cm-1 torr-1. It is shown that the use of the ergodic hypothesis is not valid, yielding values of α/p0 which are up to 40% too high in neon, and that entire avalanches must be simulated before meaningful results can be obtained. The present results agree well with those obtained recently at Swansea using the Boltzmann equation, indicating that the Lorentz approximation employed in the latter method leads to only small errors in estimates of the mean properties of the electron swarms. The equilibrium of the swarm with the field is considered in detail. It is shown that, for uniform fields, deviations from exponential growth of current with increasing electrode separation occur if the interelectrode voltage is not at least three times the mean energy of electrons impinging on the anode.

72 citations


Journal ArticleDOI
TL;DR: In this paper, exact expressions for the adiabatic elastic constants, CS11, CS12 and CS44, were derived for cubic crystals composed of particles interacting with pairwise additive central forces.

57 citations


Journal ArticleDOI
TL;DR: In this paper, a Monte Carlo method for calculating thermodynamic properties of fluids in the isothermal-isobaric ensemble is presented, and the excess enthalpy and volume of the mixture argon+Krypton are computed and compared with the results of various theories.

57 citations


Journal ArticleDOI
TL;DR: A general review of the application of the Monte Carlo method to the numerical calculations of non-equilibrium radiation transport is given in this paper, with the aid of a general flow chart, the various steps required in such Monte Carlo calculations are detailed.
Abstract: A general review is given of the application of the Monte Carlo method to the numerical calculations of non-equilibrium radiation transport. With the aid of a general flow chart, the various steps required in such Monte Carlo calculations are detailed. Advanced techniques which improve efficiency of calculations such as weighting and biasing are also discussed. Although specific results are not given in the text, references to recent Monte Carlo calculations of radiation transport are included.

51 citations


01 Jan 1969
TL;DR: The mathematical basis of Monte Carlo and quasi Monte Carlo methods is discussed in this article, where Monte Carlo is applied to problems of linear transport of elementary particles, such as random number generation.
Abstract: : Contents: The mathematical basis of Monte Carlo and quasi Monte Carlo methods; Foundations of the theory of branching processes; Some molecular applications of Monte Carlo methods; The application of Monte Carlo techniques to problems of linear transport of elementary particles; Practical uses of the Monte Carlo method in neutronics calculations; The Monte Carlo method in quantum statistics; Random number generation is too important to be left chance; Monte Carlo computation on classical fluids; The dynamics of variable stars; and Rotating fluids: A survey of phenomena and theory




Journal ArticleDOI
TL;DR: In this paper, the integral equation adjoint to the linear transport equation for neutrons is formulated and prescriptions given for its solution by Monte Carlo methods, and the process of tracking is the same as for...
Abstract: The integral equation adjoint to the linear transport equation for neutrons is formulated and prescriptions given for its solution by Monte Carlo methods. The process of tracking is the same as for...


Journal ArticleDOI
TL;DR: In this paper, a method for the calculation of thermodynamic functions of binary mixtures from Monte Carlo data is outlined, and values for the excess free energy, volume and enthalpy for a range of binary Lennard-Jones (12-6) liquids are compared with the predictions of three versions of the APM-theory.

Journal ArticleDOI
TL;DR: In this article, the performance of channel orifices has been studied for the particular case of L 1/L 2/L 4/L R = 4.0 and it is concluded that use of both knife-edged and channel orifice is sometimes necessary to establish the cell-orifice behavior of some systems; information derived from experimental studies, and from Monte Carlo analysis of flux relationships appropriate to the geometry of the system, seems to indicate that the channel orusion is a better choice for most effusion work.
Abstract: Techniques for Monte Carlo simulation of real particle behavior have been extended to study the performance of channel orifices. Transmission coefficient calculations and wall‐flux gradient behavior are considered. For the particular case L / R = 4.0, functions are derived to allow for variable orifice‐to‐collimator distances when the target collection method is used. A “state‐of‐the‐art” discussion on orifice behavior is included to help delineate the purposes of this study. It is concluded that use of both knife‐edged and channel orifices is sometimes necessary to establish the cell‐orifice behavior of some systems; information derived from experimental studies, and from Monte Carlo analysis of flux relationships appropriate to the geometry of the system, seems to indicate that the channel orifice is a better choice for most effusion work.

Journal ArticleDOI
TL;DR: In this paper, a Monte Carlo procedure for the estimation of the size of sub-areas of a rectangular area whereby the relative size of any subarea is given by the limit as the number of points is increased of the ratio of random points falling inside the sub-area to the total number of such points generated uniformly in the rectangle.

Journal ArticleDOI
TL;DR: In this article, a modified Monte-Carlo procedure is presented by which the magnetization of the Heisenberg ferromagnet can be calculated, and a suitable boundery condition is used to get a phase transition for a small model system.

Journal ArticleDOI
TL;DR: The Monte Carlo method applied to the problem of the probability that a given molecule will spontaneously decompose in a monomolecular reaction process, or that two molecules of the same or different types will react together in a biomolecular Reaction process.
Abstract: Introduces the Monte Carlo method applied to the problem of the probability that a given molecule will spontaneously decompose in a monomolecular reaction process, or that two molecules of the same

Journal ArticleDOI
TL;DR: A simple Monte Carlo simulation program is outlined which can be used for the investigation of random‐walk problems, for example in diffusion, or the movement of tracers in the blood circulation.

Journal ArticleDOI
TL;DR: In this article, an efficient Monte Carlo method for generating peripheral events is presented, which is based on a form of the phase space integral which includes invariant momentum transfers among the variables.



Journal ArticleDOI
TL;DR: In this article, a Monte Carlo method is described for evaluating quantities such as E = / and other expectation values, which is in principle applicable to a wave function of any number of electrons.
Abstract: A Monte Carlo method is described for evaluating quantities such as E = / and other expectation values. The method is in principle applicable to a wave function of any number of electrons. As an example, a two-parameter wave function for helium is studied.

Journal ArticleDOI
TL;DR: In this article, a new method of generating random multi-particle events with small transverse momenta of secondaries is discussed, which makes their method particularly suitable for a study of ultra high energy collisions.

Journal ArticleDOI
TL;DR: In this paper, a detailed Monte Carlo simulation of oscillatory photoconductivity, utilising a "secondary self-scattering" device, is described. And the negative conductivity effect predicted by an earlier approximate analytical approach is confirmed.

01 Jan 1969
TL;DR: Probability distributions and error estimates for Monte Carlo solutions of radiation heat transfer problems, considering wavelength and direction of emitted photon bundles, were provided in this paper, where the authors used Monte Carlo Monte Carlo methods to solve the problem.
Abstract: Probability distributions and error estimates for Monte Carlo solutions of radiation heat transfer problems, considering wavelength and direction of emitted photon bundles