Search results for " Boundary conditions"
showing 10 items of 87 documents
Kac-potential treatment of nonintegrable interactions.
2000
We consider d-dimensional systems with nonintegrable, algebraically decaying pairwise interactions. It is shown that, upon introduction of periodic boundary conditions and a long-distance cutoff in the interaction range, the bulk thermodynamics can be obtained rigorously by means of a Kac-potential treatment, leading to an exact, mean-field-like theory. This explains various numerical results recently obtained for finite systems in the context of ``nonextensive thermodynamics,'' and in passing exposes a strong regulator dependence not discussed in these studies. Our findings imply that, contrary to some claims, Boltzmann-Gibbs statistics are sufficient for a standard description of this cla…
Approximate Modeling of Spherical Membrane
2010
Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting particles. Here we introduce an approach to model spherical systems, using revised periodic boundary conditions adapted to spherical symmetry. Method reduces computational costs by orders of magnitude, and is applicable for both solid and liquid membranes, provided the curvature is sufficiently small. We demonstrate the method by calculating the bending and Gaussian curvature moduli of single- and multi-layer graphene. Method works with any interaction (ab initio, classical interactions), with any approach (molecular …
Revised periodic boundary conditions: Fundamentals, electrostatics, and the tight-binding approximation
2011
Many nanostructures today are low-dimensional and flimsy, and therefore get easily distorted. Distortion-induced symmetry-breaking makes conventional, translation-periodic simulations invalid, which has triggered developments for new methods. Revised periodic boundary conditions (RPBC) is a simple method that enables simulations of complex material distortions, either classically or quantum-mechanically. The mathematical details of this easy-to-implement approach, however, have not been discussed before. Therefore, in this paper we summarize the underlying theory, present the practical details of RPBC, especially related to a non-orthogonal tight-binding formulation, discuss selected featur…
Anisotropic interfacial tension, contact angles, and line tensions: A graphics-processing-unit-based Monte Carlo study of the Ising model
2014
As a generic example for crystals where the crystal-fluid interface tension depends on the orientation of the interface relative to the crystal lattice axes, the nearest neighbor Ising model on the simple cubic lattice is studied over a wide temperature range, both above and below the roughening transition temperature. Using a thin film geometry $L_x \times L_y \times L_z$ with periodic boundary conditions along the z-axis and two free $L_x \times L_y$ surfaces at which opposing surface fields $\pm H_{1}$ act, under conditions of partial wetting, a single planar interface inclined under a contact angle $\theta < \pi/2$ relative to the yz-plane is stabilized. In the y-direction, a generaliza…
Unconstrained periodic boundary conditions for solid state elasticity
2004
We introduce a method to implement dynamics on an elastic lattice without imposing constraints via boundary or loading conditions. Using this method we are able to examine fracture processes in two-dimensional systems previously inaccessible for reliable computer simulations. We show the validity of the method by benchmarking and report a few preliminary results.
Perturbative results for two and three particle threshold energies in finite volume
2015
We calculate the energy of the state closest to threshold for two and three identical, spinless particles confined to a cubic spatial volume with periodic boundary conditions and with zero total momentum in the finite-volume frame. The calculation is performed in relativistic quantum field theory with particles coupled via a $\lambda \phi^4$ interaction, and we work through order $\lambda^3$. The energy shifts begin at ${\cal O}(1/L^3)$, and we keep subleading terms proportional to $1/L^4$, $1/L^5$ and $1/L^6$. These terms allow a non-trivial check of the results obtained from quantization conditions that hold for arbitrary interactions, namely that of L\"uscher for two particles and our re…
Classical thermodynamics of the Heisenberg chain in a field by generalized Bethe ansatz method
1990
Abstract Using the classical action-angle variables for the continuous model, we study the thermodynamics of the classical Heisenberg chain in an applied field by a generalized Bethe ansatz approach. The crucial point consists in the derivation of a phase-shifted density of states for the excitations of the model, obtained by imposing periodic boundary conditions. In the thermodynamic limit, the free energy can be expressed in terms of the solution of a non-linear integral equation, showing the universal dependece of the variable x=(JH) 1 2 /T .
The Poisson Bracket Structure of the SL(2, R)/U(1) Gauged WZNW Model with Periodic Boundary Conditions
2000
The gauged SL(2, R)/U(1) Wess-Zumino-Novikov-Witten (WZNW) model is classically an integrable conformal field theory. A second-order differential equation of the Gelfand-Dikii type defines the Poisson bracket structure of the theory. For periodic boundary conditions zero modes imply non-local Poisson brackets which, nevertheless, can be represented by canonical free fields.
High-precision studies of domain-wall properties in the 2D Gaussian Ising spin glass
2019
In two dimensions, short-range spin glasses order only at zero temperature, where efficient combinatorial optimization techniques can be used to study these systems with high precision. The use of large system sizes and high statistics in disorder averages allows for reliable finite-size extrapolations to the thermodynamic limit. Here, we use a recently introduced mapping of the Ising spin-glass ground-state problem to a minimum-weight perfect matching problem on a sparse auxiliary graph to study square-lattice samples of up to 10 000 × 10 000 spins. We propose a windowing technique that allows to extend this method, that is formally restricted to planar graphs, to the case of systems with …
Ising systems with pairwise competing surface fields
2005
The magnetization distribution and phase behaviour of large but finite Ising simple cubic L × L × L lattices in d = 3 dimensions and square L × L lattices in d = 2 dimensions are studied for the case where four free boundaries are present, at which surface fields +Hs act on one pair of opposite boundaries while surface fields −Hs act on the other pair (in d = 3, periodic boundary conditions are used for the remaining pair). Both the distribution PL(m) of the global magnetization and also the distribution of the local magnetization m(x,z) are obtained by Monte Carlo simulations, where x and z denote the coordinates when the boundaries are oriented along the x-axis and z-axis (in d = 2); or a…