Related papers: Accurate and efficient calculation of photoionizat…
We present an efficient solver for massively-parallel direct numerical simulations of incompressible turbulent flows. The method uses a second-order, finite-volume pressure-correction scheme, where the pressure Poisson equation is solved…
A two-phase, low-Mach-number flow solver is created and verified for variable-density liquid and gas with phase change. The interface is sharply captured using a split Volume-of-Fluid method generalized for a non-divergence-free liquid…
Ion-assisted surface processes are the basis of modern plasma processing. Ion energy distribution (IED) control is critical for precise material modification, especially in atomic-level technologies such as atomic layer etching. Since this…
Simulating particle detector response is the single most expensive step in the Large Hadron Collider computational pipeline. Recently it was shown that normalizing flows can accelerate this process while achieving unprecedented levels of…
Atomic cadmium ions are loaded into radiofrequency ion traps by photoionization of atoms in a cadmium vapor with ultrafast laser pulses. The photoionization is driven through an intermediate atomic resonance with a frequency-quadrupled…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
In the molecular dynamics calculations for the free energy of ions and ionic molecules, we often encounter wet charged molecular systems where electrical neutrality condition is broken. This causes a problem in the evaluation of…
Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…
Crank-Nicolson (C-N) Method combined with $ B $-spline basis set can be used in both time-dependent and time-independent calculations of the photoionization cross sections of atoms and molecules. For time-independent systems, it is found…
In a CMOS image sensor pixel, fast and complete charge transfer from pinned photodiode (PPD) is desired and necessary in some applications. In special cases such as time-of-flight imaging or large pinned photodiodes, the PPD potential well…
To obtain the initial pressure from the collected data on a planar sensor arrangement in Photoacoustic tomography, there exists an exact analytic frequency domain reconstruction formula. An efficient realization of this formula needs to…
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…
We develop a method for modeling and simulating a class of two-phase flows consisting of two immiscible incompressible dielectric fluids and their interactions with imposed external electric fields in two and three dimensions. We first…
We have developed an algorithm for transferring radiation in three-dimensional space. The algorithm computes radiation source and sink terms using the Fast Fourier Transform (FFT) method, based on a formulation in which the integral of any…
Purpose - This paper continues the development of a comprehensive methodology for fully resolved numerical simulations of fusion deposition modeling. Design/methodology/approach - A front-tracking/finite volume method introduced in Part I…
We describe a method for the calculation of photoionization cross-sections using square-integrable amplitudes obtained from the diagonalization of finite-basis set representations of the electronic Hamiltonian. Three examples are…
Three-dimensional numerical model is developed and applied for studies of physical processes in Electron Cyclotron Resonance Ion Source. The model includes separate modules that simulate the electron and ion dynamics in the source plasma in…
This work describes three diffuse-interface methods for the simulation of immiscible, compressible multiphase fluid flows and elastic-plastic deformation in solids. The first method is the localized-artificial-diffusivity approach of Cook…
Subsurface sequestration of CO2 has received attention from the global scientific community in response to climate change concerns due to higher concentrations of CO2 in the atmosphere. Mathematical models have thus been developed to aid…
We present an algorithm for solving the radiative transfer problem on massively parallel computers using adaptive mesh refinement and domain decomposition. The solver is based on the method of characteristics which requires an adaptive…