Related papers: A Model for Hybrid Simulations of Molecular Dynami…
Understanding active matter has led to new perspectives on biophysics and non-equilibrium dynamics. However, the development of numerical tools for simulating active fluids capable of incorporating non-trivial boundaries or inclusions has…
We carry out a detailed comparison of soft particle molecular dynamics simulations with the theory of partially fluidized shear granular flows. We verify by direct simulations a constitutive relation based on the separation of the shear…
We present results from analytical and numerical studies of a flux tube model of hybrid mesons. Our numerical results use a Hamiltonian Monte Carlo algorithm and so improve on previous analytical treatments, which assumed small flux tube…
Microfluidic devices have been the subject of considerable attention in recent years. The development of novel microfluidic devices, their evaluation, and their validation requires simulations. While common methods based on Computational…
It has been reported recently that the equipartition theorem is violated in molecular dynamics simulations with periodic boundary condition [Shirts et al, J. Chem. Phys. 125, 164102 (2006)]. This effect is associated with the conservation…
We present the implementation and application of a multiphysics simulation technique to carrier dynamics under electromagnetic excitation in supported two-dimensional electronic systems. The technique combines ensemble Monte Carlo (EMC) for…
With the rapid development of studies involving droplet microfluidics, drug delivery, cell detection, and microparticle synthesis, among others, many scientists have invested significant efforts to model the flow of these fluid-filled…
We propose a hierarchical asynchronous iterative method that differs from the traditional synchronous iterative method used across the entire flow field in conventional Computational Fluid Dynamics applications. This method forcibly divides…
Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and…
The emergence of computational fluid dynamics (CFD) enabled the simulation of intricate transport processes, including flow in physiological structures, such as blood vessels. While these so-called hemodynamic simulations offer…
High-fidelity numerical simulations such as Computational Fluid Dynamics (CFD) have been proven effective in analysing haemodynamics, offering insight into many vascular conditions. However, these methods often face challenges of high…
Fluctuating hydrodynamics based techniques have been developed in recent years for the simulation of Brownian motion of particles. These mesoscale simulation tools are viable approaches for problems where molecular dynamics simulations may…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
Aerosol injectors applied in single-particle diffractive imaging experiments demonstrated their potential in efficiently delivering nanoparticles with high density. Continuous optimization of injector design is crucial for achieving…
Computational fluid dynamics (CFD) is a specialised branch of fluid mechanics that utilises numerical methods and algorithms to solve and analyze fluid-flow problems. One promising avenue to enhance CFD is the use of quantum computing,…
Fluid flow simulation is a highly active area with applications in a wide range of engineering problems and interactive systems. Meshless methods like the Moving Particle Semi-implicit (MPS) are a great alternative to deal efficiently with…
Grid based fluid simulation methods are not able to monolithically capture complex non-linear dynamics like the rupture of a dynamic liquid bridge between freely colliding solids, an exemplary scenario of capillary forces competing with…
A molecular dynamics (MD) simulation of planar Couette flow is presented for the minimal channel in which turbulence structures can be sustained. Evolution over a single breakdown and regeneration cycle is compared to computational fluid…
We introduce a model described in terms of a scalar velocity field on a 1d lattice, evolving through collisions that conserve momentum but do not conserve energy. Such a system posseses some of the main ingredients of fluidized granular…
The synchronized molecular dynamics simulation via macroscopic heat and momentum transfer is proposed for the non-isothermal flow behaviors of complex fluids. In this method, the molecular dynamics simulations are assigned to small fluid…