Related papers: Extension of structure integration to magnetic sys…
The short-time behaviour of the critical dynamics for magnetic systems is investigated with Monte Carlo methods. Without losing the generality, we consider the relaxation process for the two dimensional Ising and Potts model starting from…
The short-time dynamic evolution of an Ising model embedded in an infinitely ramified fractal structure with noninteger Hausdorff dimension was studied using Monte Carlo simulations. Completely ordered and disordered spin configurations…
In this paper, we provide the exact expression for the coefficients in the low-temperature series expansion of the partition function of the two-dimensional Ising model on the infinite square lattice. This is equivalent to exact…
It was recently proposed that the stress state of a material can also be altered via electron or hole doping, a concept termed electronic stress (ES), which is different from the traditional mechanical stress (MS) due to lattice contraction…
This paper reports numerical studies of a compressible version of the Ising spin glass in two dimensions. Compressibility is introduced by adding a term that couples the spin-spin interactions and local lattice deformations to the standard…
The two-dimensional Ising model is the simplest model of statistical mechanics exhibiting a second order phase transition. While in absence of magnetic field it is known to be solvable on the lattice since Onsager's work of the forties,…
We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…
We investigate the collective behavior of an Ising lattice gas, driven to non-equilibrium steady states by being coupled to {\em two} thermal baths. Monte Carlo methods are applied to a two-dimensional system in which one of the baths is…
A new method for direct evaluation of both crystalline structure, bulk modulus B_0, and bulk-modulus pressure derivative B'_0 of solid materials with complex crystal structures is presented. The explicit and exact results presented here…
An explicit expression for the partition function of two-dimensional nearest neighbour Ising models in the presence of a magnetic field is derived by a systematic enumeration of all the spin configurations pertaining to a square lattice of…
We show how to generalize the Lattice Switch Monte Carlo method to calculate the phase diagram of a binary system. A global coordinate transformation is combined with a modification of particle diameters, enabling the multi-component system…
Finding the true magnetic structure at given external conditions is crucial for describing magnetic materials and predicting their properties. This is especially important for high-throughput screening of potentially good magnets that…
We consider dimer model on a hexagonal lattice. This model can be seen as a "pile of cubes in the box". The energy of configuration is given by the volume of the pile and the partition function is computed by the classical MacMahon formula…
The molecular distributions obtained from canonical Monte Carlo simulations can be used to find an approximate interaction energy. This serves as the basis of a method for estimating the binding free energy for a ligand to a protein which…
Using classical density functional theory, we study the behavior of dimers, i.e. hard rods of length $L=2$, on a two-dimensional cubic lattice. For deriving a free energy functional, we employ Levy's prescription which is based on the…
We have measured the effective mass, m, and Lande g-factor in very dilute two-dimensional electron systems in silicon. Two independent methods have been used: (i) measurements of the magnetic field required to fully polarize the electrons'…
We study the analytic properties of the scaling function associated with the 2D Ising model free energy in the critical domain $T \to T_c$, $H \to 0$. The analysis is based on numerical data obtained through the Truncated Free Fermion Space…
We establish the existence of a hidden degree of freedom and the critical states of a spinless electron system in a spatially-correlated random magnetic field with vanishing mean. Whereas the critical states are carried by the zero-field…
The gain of free energy upon unmixing is determined via application of Markov state modeling (MSM), using an Ising model with a fixed number of up- and down-spins. MSM yields reasonable estimates of the free energies. However, a closer look…
Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…