Related papers: A new constant-pressure molecular dynamics method …
We present a set of effective outflow/open boundary conditions and an associated algorithm for simulating the dynamics of multiphase flows consisting of $N$ ($N\geqslant 2$) immiscible incompressible fluids in domains involving outflows or…
Two-phase outflows refer to situations where the interface formed between two immiscible incompressible fluids passes through open portions of the domain boundary. We present in this paper several new forms of open boundary conditions for…
We consider nonlinear multibody systems and present a suitable set of coordinates for the internal dynamics which allow to decouple the internal dynamics without the need to compute the Byrnes-Isidori form. Furthermore, we derive sufficient…
We describe a method that focuses sampling effort on a user-defined selection of a large system, which can lead to substantial decreases in computational effort by speeding up the calculation of nonbonded interactions. A naive approach can…
We propose a computational method to simulate anomalous self-diffusion in a simple liquid. The method is based on a molecular dynamics simulation on which we impose the following two conditions: firstly, the inter-particle interaction is…
Composite system is studied in noncommutative phase space with preserved rotational symmetry. We find conditions on the parameters of noncommutativity on which commutation relations for coordinates and momenta of the center-of-mass of…
We develop a cavity-based method which allows to extract thermodynamic properties from position information in hard-sphere/disk systems. So far, there are 'available-volume' and 'free-volume' methods. We add a third one, which we call…
A crucial issue in fluid dynamics is related to the knowledge of the fluid pressure. A new general pressure equation is derived from compressible Navier-Stokes equation. It is argued that this new pressure equation allows unifying…
The effects of a finite system volume on thermodynamic quantities, such as the pressure, energy density, specific heat, speed of sound, conserved charge susceptibilities and correlations, in hot and dense strongly interacting matter are…
The aim of this work is to propose a provably convergent finite volume scheme for the so-called Stefan-Maxwell model, which describes the evolution of the composition of a multi-component mixture and reads as a cross-diffusion system. The…
The stability criteria for spatially flat homogeneous and isotropic cosmological dynamical system is investigated with the interaction of a scalar field endowed with a perfect fluid.In this paper, we depict the dynamical system perspective…
Numerous mathematical models have emerged in the medical literature over the past two decades attempting to characterize the pressure and volume dynamics the central nervous system compartment. These models have been used to study he…
In this paper, we introduce a nonlocal model for linear steady Stokes system with physical no-slip boundary condition. We use the idea of volume constraint to enforce the no-slip boundary condition and prove that the nonlocal model is…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a…
We model the dynamics of a closed quantum system brought out of mechanical equilibrium, undergoing a non-driven, spontaneous, thermodynamic transformation. In particular, we consider a quantum particle in a box with a moving and insulating…
We consider the dynamics of two-phase fluids, in particular the moving contact line, on a solid substrate. The dynamics are governed by the sharp-interface model consisting of the incompressible Navier-Stokes\slash Stokes equations with the…
We introduce a simple method to estimate the system parameters in continuous dynamical systems from the time series. In this method, we construct a modified system by introducing some constants (controlling constants) into the given…
We introduce a new type of boundary conditions, {\it smooth boundary conditions}, for numerical studies of quantum lattice systems. In a number of circumstances, these boundary conditions have substantially smaller finite-size effects than…
In this work we present, for the first time, a computational fluid dynamics tool for the simulation of the metered discharge in a pressurized metered dose inhaler. The model, based on open-source software, adopts the Volume-Of-Fluid method…