Search results for "Statistical physics"
showing 10 items of 1402 documents
The Ornstein-Uhlenbeck Process
2009
Monte Carlo simulation of correlated electrons in disordered systems
1992
Abstract The properties of many-electron states in disordered systems with long-range electron-eletron interaction are investigated by means of a Monte Carlo simulation. Using the Metropolis algorithm, three-dimensional systems up to 512 sites are systematically analysed. The low-lying excitations are investigated in order to distinguish between one-particle and many-particle hopping. In the interesting regime in which disorder and correlation effects are equally important we find that variable-range hopping is insignificant for electron transfer when compared with the contribution from nearest-neighbour one-electron hopping processes as well as variable-number hopping.
Local correlation functional for electrons in two dimensions
2008
We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation for the pair density. Then, we introduce an ad-hoc modification which better accounts for both the long-range correlation, and the kinetic-energy contribution to the correlation energy. The resulting functional is local, and depends parametrically on the number of electrons in the system. We apply this functional to the homogeneous electron gas and to a set of two-dimensional quantum dots covering a wide range of electron densities and thus various amount…
CHANGES OF ELECTRONIC NOISE INDUCED BY OSCILLATING FIELDS IN BULK GaAs SEMICONDUCTORS
2008
A Monte Carlo study of hot-electron intrinsic noise in a n-type GaAs bulk driven by one or two mixed cyclostationary electric fields is presented. The noise properties are investigated by computing the spectral density of velocity fluctuations. An analysis of the noise features as a function of the amplitudes and frequencies of two applied fields is presented. Numerical results show that it is possible to reduce the intrinsic noise. The best conditions to realize this effect are discussed.
Calculating thermodynamic properties from fluctuations at small scales.
2011
We show how density and energy fluctuations of small nonperiodic systems embedded in a reservoir can be used to determine macroscopic thermodynamic properties like the enthalpy density and the thermodynamic correction factor. For mixtures, the same formalism leads to a very convenient method to obtain so-called total correlation function integrals, also often referred to as Kirkwood-Buff integrals. Using finite size scaling, the properties obtained for small systems can be extrapolated to the macroscopic system limit provided that the system is sufficiently far from the critical point. As derived in our previous work (Chem. Phys. Lett. 2011, 504, 199-201), the finite size scaling is signifi…
Quantum Monte Carlo methods
2005
Introduction In most of the discussion presented so far in this book, the quantum character of atoms and electrons has been ignored. The Ising spin models have been an exception, but since the Ising Hamiltonian is diagonal (in the absence of a transverse magnetic field), all energy eigenvalues are known and the Monte Carlo sampling can be carried out just as in the case of classical statistical mechanics. Furthermore, the physical properties are in accord with the third law of thermodynamics for Ising-type Hamiltonians (e.g. entropy S and specific heat vanish for temperature T → 0, etc.) in contrast to the other truly classical models dealt with in previous chapters (e.g. classical Heisenbe…
Entropy Driven Phase Separation
2006
BoltzmaNN: Predicting effective pair potentials and equations of state using neural networks
2019
Neural networks (NNs) are employed to predict equations of state from a given isotropic pair potential using the virial expansion of the pressure. The NNs are trained with data from molecular dynamics simulations of monoatomic gases and liquids, sampled in the NVT ensemble at various densities. We find that the NNs provide much more accurate results compared to the analytic low-density limit estimate of the second virial coefficient and the Carnahan-Starling equation of state for hard sphere liquids. Furthermore, we design and train NNs for computing (effective) pair potentials from radial pair distribution functions, g(r), a task that is often performed for inverse design and coarse-graini…
A generalization of the Carnahan–Starling approach with applications to four- and five-dimensional hard spheres
2018
Abstract Development of good equations of state for hard spheres is an important task in the study of real fluids. In a way consistent with other theoretical results, we generalize the famous Carnahan–Starling approach for arbitrary dimensions and apply it to four- and five-dimensional hard spheres. We obtain simple and integer representations for virial coefficients of lower orders and accurate equations of state. Since theoretically and practically validated, these results improve understanding of hard sphere fluids.
Comment on “Scaling behavior in explosive fragmentation”
2002
We discuss the data analysis and the conclusions based upon the analysis given in the paper by Diehl et al. Following the suggestion in the Comment on our previous work by Astrom, Linna, and Timonen [Phys. Rev. E 65,048101 (2002)], we performed extensive molecular-dynamics simulations to confirm that our numerical results for the mass distribution of fragments after the "explosion" of thermalized samples are consistent with the scaling form n(m)∼m - ( α + 1 ) f(m/M 0 ), where ∫(m/M 0 ) is a cutoff function, M 0 is a cutoff parameter, and the exponent a is close to zero.