相关论文: Size and shape dependence of finite volume Kirkwoo…

Kirkwood-Buff integrals (KBI) connect the microscopic structure and thermodynamic properties of liquid solutions. KBI are defined in the grand canonical ensemble and evaluated assuming the thermodynamic limit (TL). In order to reconcile…

Volume integrals over the radial pair-distribution function, so-called Kirkwood-Buff integrals (KBI) play a central role in the theory of solutions, by linking structural with thermodynamic information. The simplest example is the…

Simulations of quantum systems in finite volume have proven to be a useful tool for calculating physical observables. Such studies to date have focused primarily on understanding the volume dependence of binding energies, from which it is…

We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any…

The Kirkwood-Buff integrals for two-component mixtures in one-dimensional systems are calculated directly. The results are applied to square-well particles and found to agree with those obtained by the inversion of the Kirkwood-Buff theory…

Understanding the relationship between microscopic structure and macroscopic thermodynamic properties is a central challenge in the study of complex fluids. The Kirkwood-Buff (KB) theory offers an elegant and powerful framework for bridging…

Kirkwood-Buff (KB) integrals are notoriously difficult to converge from a canonical simulation because they require estimating the grand-canonical radial distribution. The same essential difficulty is encountered when attempting to estimate…

Computation of the excess entropy from the second-order density expansion of the entropy holds strictly for infinite systems in the limit of small densities. For the reliable and efficient computation of excess entropy, it is important to…

This thesis presents L\"uscher's $\mu$- and $F$-term corrections to volume dependence of non-diagonal finite volume form factors in the scaling Lee-Yang model. An explicit calculation proves the suspected relation that the $\mu$-terms known…

We propose an improved effective-medium theory to obtain the concentration dependence of the viscosity of particle suspensions at arbitrary volume fractions. Our methodology can be applied, in principle, to any particle shape as long as the…

We derive the leading exponential finite volume corrections in two dimensional integrable models for non-diagonal form factors in diagonally scattering theories. These formulas are expressed in terms of the infinite volume form factors and…

We investigate the performance of the finite volume method in solving viscoplastic flows. The creeping square lid-driven cavity flow of a Bingham plastic is chosen as the test case and the constitutive equation is regularised as proposed by…

Motivated by the inverse Littlewood-Offord problem for linear forms, we study the concentration of quadratic forms. We show that if this form concentrates on a small ball with high probability, then the coefficients can be approximated by a…

The form factors of integrable models in finite volume are studied. We construct the explicite representations for the form factors in terms of determinants.

A general formula is derived for the finite volume dependence of vacuum expectation values analogous to Luscher's formula for the masses. The result involves no integrals over kinematic quantities and depends only on the matrix element…

We extend the framework of the finite volume method to dispersive unidirectional water wave propagation in one space dimension. In particular we consider a KdV-BBM type equation. Explicit and IMEX Runge-Kutta type methods are used for time…

A classical model for water-gas flows in porous media is considered. The degenerate coupled system of equations obtained by mass conservation is usually approximated by finite volume schemes in the oil reservoir simulations. The convergence…

We derive a general formalism that relates the spectrum of two-particle systems in a finite volume to physical scattering amplitudes, taking into account the presence of any left-hand branch cuts due to single-particle exchanges. The method…

Two finite volume methods are derived and applied to the solution of problems of incompressible flow. In particular, external inviscid flows and boundary-layer flows are examined. The firstmethod analyzed is a cell-centered finite volume…

We generalise the two-sided Bogoliubov inequality for classical particles from [L. Delle Site et al., J.Stat.Mech.Th.Exp. 083201 (2017)] to systems of quantum particles. As in the classical set-up, the inequality leads to upper and lower…