Related papers: A symplectic integrator for molecular dynamics on …
We present a new particle-based (discrete element) numerical method for the simulation of granular dynamics, with application to motions of particles on small solar system body and planetary surfaces. The method employs the parallel N-body…
Simulating plasmas in the Hall-MagnetoHydroDynamics (Hall-MHD) regime represents a valuable {approach for the investigation of} complex non-linear dynamics developing in astrophysical {frameworks} and {fusion machines}. Taking into account…
This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…
We consider deflection of rotating symmetric molecules by inhomogeneous optical and static electric fields, compare results with the case of linear molecules, and find new singularities in the distribution of the scattering angle.…
Hamiltonian systems are differential equations which describe systems in classical mechanics, plasma physics, and sampling problems. They exhibit many structural properties, such as a lack of attractors and the presence of conservation…
We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referred to as 'Bohm SPH'. This treatment is founded upon Bohm's…
Modern N-body techniques for planetary dynamics are generally based on symplectic algorithms specially adapted to the Kepler problem. These methods have proven very useful in studying planet formation, but typically require the timestep for…
Time-reversible symplectic methods, which are precisely compatible with Liouville's phase-volume-conservation theorem, are often recommended for computational simulations of Hamiltonian mechanics. Lack of energy drift is an apparent…
We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…
Particle-based simulations of the Vlasov equation typically require a large number of particles, which leads to a high-dimensional system of ordinary differential equations. Solving such systems is computationally very expensive, especially…
We present a new family of relativistic lattice kinetic schemes for the efficient simulation of relativistic flows in both strongly-interacting (fluid) and weakly-interacting (rarefied gas) regimes. The method can also deal with both…
A new algorithm for numerical integration of the rigid-body equations of motion is proposed. The algorithm uses the leapfrog scheme and the quantities involved are angular velocities and orientational variables which can be expressed in…
We describe an implementation of a particle physics module available for the PLUTO code, appropriate for the dynamical evolution of a plasma consisting of a thermal fluid and a non-thermal component represented by relativistic charged…
Simulation schemes that allow to change molecular representation in a subvolume of the simulation box while preserving the equilibrium with the surrounding introduce conceptual problems of thermodynamic consistency. In this work we present…
Soft solids in fluids find wide range of applications in science and engineering, especially in the study of biological tissues and membranes. In this study, an Eulerian finite volume approach has been developed to simulate fully resolved…
Accelerated gradient methods have had significant impact in machine learning -- in particular the theoretical side of machine learning -- due to their ability to achieve oracle lower bounds. But their heuristic construction has hindered…
We present a symplectic integrator, based on the canonical midpoint rule, for classical spin systems in which each spin is a unit vector in $\mathbb{R}^3$. Unlike splitting methods, it is defined for all Hamiltonians, and is…
We present a multiscale integrator for Hamiltonian systems with slowly varying quadratic stiff potentials that uses coarse timesteps (analogous to what the impulse method uses for constant quadratic stiff potentials). This method is based…
We connect an appropriate feedback loop to a model of 2D vertical eddy of airflow which unfolds a wide range of vorticity behavior. Computational fluid dynamics of the twisted roll display a class of long lifespan 3D vortices. On the one…
Nonholonomic systems are variational models commonly used for mechanical systems with ideal no-slip constraints. This note provides a differential-geometric derivation of the nonholonomic equations of motion for an arbitrary rigid body…