Computer Simulation Using Particles

Abstract

This book on numerical physics deals with the use of particle methods in simulating plasmas and plasmalike media. All the principal steps of a computer experiment are described starting with the physical phenomenon. Much attention is paid to the computer testing of programs. The methods are illustrated in detail on some examples of plasma physics, astrophysics, semiconductor physics, and solid state physics.There are 12 chapters: 1. Computer experiments using particle models; 2. A one-dimensional plasma model; 3. The simulation program; 4. Time integration schemes; 5. The particle-mesh force calculation; 6. The solution of the field equations; 7. Collisionless particle models; 8. Particle-particle-particle-mesh algorithms; 9. Plasma simulation; 10. Semiconductor device simulation; 11. Astrophysics; 12. Solids, liquids, and phase changes.

Influence of Substitutional Defects in ZIF-8 Membranes on Reverse Osmosis Desalination: A Molecular Dynamics Study

“…Other atomic interactions were modeled by the Chemistry at HARvard Macromolecular Mechanics (CHARMM) force field [ 28 ], for which both the Lennard-Jones and coulombic terms possess an inner cut-off distance of 10 Å and an outer cut-off distance of 12 Å. The long-range Coulombic interactions were computed by the particle–particle–particle–mesh (PPPM) method with an accuracy value of 10 −6 [ 29 ]. The partial charges and LJ parameters of the Na + ions, Cl − ions, and C atoms were adopted from previous studies [ 22 ].…”

PIC methods in astrophysics: simulations of relativistic jets and kinetic physics in astrophysical systems

“…Henceforth, a plethora of literature has become available, providing detailed descriptions of PIC implementation using High Performance Fortran (HPF) (Cai et al 2001(Cai et al , 2002(Cai et al , 2003. Here, we describe the original TRISTAN code based on Buneman's philosophy with additional explanations by Dawson (1983); Hockney and Eastwood (1988); Birdsall and Langdon (1991) making the PIC approach to plasma microphysics, as well as its recent developments, more accessible to readers. We also include configurations from TRISTAN-MPI (Niemiec et al 2008), e.g., for the shape functions representing a (macro) particle, boundary conditions, etc.…”

“…We provides an introductory discussion of the PIC method mainly based on Buneman's code (Buneman 1993) such that readers are able to understand how PIC method works and what kind of physical problems can be investigated with PIC simulations. Although a few textbooks and reviews on PIC methods are already available, it may be overwhelming to read such them; therefore this review may serve as an introduction into the topic and guide to those textbooks (Dawson 1983;Birdsall and Langdon 1991;Hockney and Eastwood 1988). Initially, in order to illustrate how PIC simulations work in the view of astrophysicalplasmas, we concentrate on PIC simulations of relativistic jets in a slab model and recent progresses of relativistic jets including velocity-shear instabilities.…”

Structure-guided glyco-engineering of ACE2 for improved potency as soluble SARS-CoV-2 decoy receptor

“…Non-bonded interactions were calculated within a cutoff sphere of 1.4 nm and electrostatic interactions were computed using a particle-particle particle-mesh (P3M) approach. 54 Bond-lengths were constrained to their optimal values using the Lincs algorithm. 55 Temperature was maintained at a constant value using a velocity-rescaling algorithm 56,57 with a relaxation time of 0.1 ps.…”