A fully kinetic 3D simulation of a Penning discharge using the LTP - PIC code. The computational configuration is shown on the left, while the right depicts the time evolution of the plasma density [1, 2, 3].
A kinetic simulation using EDIPIC-2D showing the time evolution of plasma breakdown in a showerhead electrode geometry. Densities, electric fields, potential, and ionization are shown, with red rectangles marking the cathode, dielectric block, and anode.
LTP - PIC was used to perform two and three dimensional Hall thruster simulations. The top left schematic depicts an axial-azimuthal slice at fixed radius of a Hall thruster channel (Villafana 2023), and the corresponding computational domains on the top right. The bottom left, center, and right visualizations depict the plasma densities for the 2D, 3D periodic, and 3D dielectric cases, respectively.
Modeling of carbon and boron nitride nanotubes synthesis in arcs and torches. Carbon fullerene formation during rapid cooling of carbon vapor using DFTB+ codes is shown below (L. Han et al.).
Structure videos of Fen clusters (n = 62, 78, 98) with global minimum energy configurations achieved through parallel tempering molecular dynamics. Surface atoms are colored white/transparent, and core atom color indicates different packing structures (yellow = icosahedral, red = hexagonal close-packed, purple = body-centered cubic).
Molecular dynamics trajectories in the micro-canonical ensemble (NVE - fixed number of atoms, volume, and energy) of Fe13 in the solid phase (~150 K), in an isomerization phase (~1500 K), and in the liquid phase (~3000 K).
Molecular dynamics trajectories in the canonical ensemble (NVT - fixed number of atoms, volume, and temperature) of nucleating Fe vapor (383 atoms) in a 20x20x20 nanometer simulation box at 800K with and without thermostatted Ar background gas. In the system with Ar, Ar is thermostatted with canonical stochastic velocity rescaling (CSVR), while Fe is not. The Fe in the system without Ar is directly thermostatted with CSVR.