Search results for "Thermodynamic limit"
showing 10 items of 76 documents
Limit Analysis of Structures with Stochastic Strength Variations∗
1972
Abstract On the basis of a probabilistic fomulation of the fundamental theorems of “limit analysis,” a procedure is developed which allows, with a very limited amount of computing work, the determination of a domain containing the probability distribution curve of the collapse load factor of any structure that satisfies the usual conditions for validity of the limit analysis, but has randomly distributed limit strengths. Further improvements of the bounds thus obtained can be achieved by the equivalent of either the equilibrium or the kinematic methods of limit analysis.
Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation
2014
We present a new molecular simulation technique for determining partial molar enthalpies in mixtures of gases and liquids from single simulations, without relying on particle insertions, deletions, or identity changes. The method can also be applied to systems with chemical reactions. We demonstrate our method for binary mixtures of Weeks-Chandler-Anderson particles by comparing with conventional simulation techniques, as well as for a simple model that mimics a chemical reaction. The method considers small subsystems inside a large reservoir (i.e., the simulation box), and uses the construction of Hill to compute properties in the thermodynamic limit from small-scale fluctuations. Results …
Order and Chaos in the Statistical Mechanics of the Integrable Models in 1+1 Dimensions
1991
This paper was presented at the meeting under this title. But, originally, the more cumbersome ‘Quantum chaos — classical chaos in k-space: thermodynamic limits for the sine-Gordon models’ was proposed. Certainly this covers more technically the content of this paper.
Optimized analysis of the critical behavior in polymer mixtures from Monte Carlo simulations
1992
A complete outline is given for how to determine the critical properties of polymer mixtures with extrapolation methods similar to the Ferrenberg-Swendsen techniques recently devised for spin systems. By measuring not only averages but the whole distribution of the quantities of interest, it is possible to extrapolate the data obtained in only a few simulations nearT c over the entire critical region, thereby saving at least 90% of the computer time normally needed to locate susceptibility peaks or cumulant intersections and still getting more precise results. A complete picture of the critical properties of polymer mixtures in the thermodynamic limit is then obtained with finite-size scali…
Monte Carlo study of the ising model phase transition in terms of the percolation transition of “physical clusters”
1990
Finite squareL×L Ising lattices with ferromagnetic nearest neighbor interaction are simulated using the Swendsen-Wang cluster algorithm. Both thermal properties (internal energyU, specific heatC, magnetization 〈|M|〉, susceptibilityχ) and percolation cluster properties relating to the “physical clusters,” namely the Fortuin-Kasteleyn clusters (percolation probability 〈P∞〉, percolation susceptibilityχp, cluster size distributionnl) are evaluated, paying particular attention to finite-size effects. It is shown that thermal properties can be expressed entirely in terms of cluster properties, 〈P∞〉 being identical to 〈|M|〉 in the thermodynamic limit, while finite-size corrections differ. In contr…
Classification theory for anequilibrium phase transitions
1993
The paper introduces a classification of phase transitions in which each transition is characterized through its generalized order and a slowly varying function. This characterization is shown to be applicable in statistical mechanics as well as in thermodynamics albeit for different mathematical reasons. By introducing the block ensemble limit the statistical classification is based on the theory of stable laws from probability theory. The block ensemble limit combines scaling limit and thermodynamic limit. The thermodynamic classification on the other hand is based on generalizing Ehrenfest's traditional classification scheme. Both schemes imply the validity of scaling at phase transition…
Elastic constants from microscopic strain fluctuations
1999
Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse- grained by averaging them within subsystems (of size $L_b$) of a system (of total size $L$) in the canonical ensemble. Using a simple finite size scaling theory we predict the behaviour of the fluctuations $$ as a function of $L_b/L$ and extract elastic constants of the system {\em in the thermodynamic limit} at nonzero temperature. Our method is simple to implement, efficient and general e…
Monte Carlo studies of finite-size effects at first-order transitions
1990
Abstract First-order phase transitions are ubiquitous in nature but their presence is often uncertain because of the effects which finite size has on all transitions. In this article we consider a general treatment of size effects on lattice systems with discrete degrees of freedom and which undergo a first-order transition in the thermodynamic limit. We review recent work involving studies of the distribution functions of the magnetization and energy at a first-order transition in a finite sample of size N connected to a bath of size N′. Two cases: N′ = ∞ and N′ = finite are considered. In the former (canonical ensemble) case, the distributions are approximated by a superposition of Gaussi…
Numerical evidence of hyperscaling violation in wetting transitions of the random-bond Ising model in d = 2 dimensions
2017
We performed extensive simulations of the random-bond Ising model confined between walls where competitive surface fields act. By properly taking the thermodynamic limit we unambiguously determined wetting transition points of the system, as extrapolation of localization-delocalization transitions of the interface between domains of different orientation driven by the respective fields. The finite-size scaling theory for wetting with short-range fields establishes that the average magnetization of the sample, with critical exponent β, is the proper order parameter for the study of wetting. While the hyperscaling relationship given by γ+2β=ν +ν requires β=1/2 (γ=4, ν =3, and ν =2), the therm…
Critical behaviour of coupled spin chains
1991
The authors investigate, using numerical computation of the eigenvalues of short chains, the critical behaviour of two composite spin models, which interpolate smoothly between isotropic Heisenberg chains with different values of S. For the first model which interpolates between S=1/2 and S=3/2 they find that the model is critical over the whole range and the values of the central charge and critical exponents (scaling dimensions) appear to be constant in the thermodynamic limit. In the second model, which interpolates between S=1/2 and S=1 they find that, except at S=1/2, the central charge is effectively zero, implying a non-critical behaviour.