Publications
Showing 130 results for Author: Srdjan Simunovic
Oct, 2012
Journal
The Thermochemistry Library Thermochimica
Progress in numerical methods in computing thermodynamic equilibria is presented that is particularly well suited to large multicomponent multiphase systems. This method exploits fundamental principles of equilibrium thermodynamics that results in simplifying the numerical approach. The chemical potentials of all species and phases are defined by the chemical potentials of…
Sep, 2012
Journal
The AMP (Advanced MultiPhysics) Nuclear Fuel Performance Code
The AMP (Advanced MultiPhysics) Nuclear Fuel Performance code is a new, three-dimensional, multi-physics tool that uses state-of-the-art solution methods and validated nuclear fuel models to simulate the nominal operation and anticipated operational transients of nuclear fuel. The AMP Nuclear Fuel Performance code leverages existing validated material models from tradition…
Aug, 2012
Book Chapter
Multiscale/Multiphysics Modeling of Biomass Thermochemical Processes
Computational problems in simulating biomass thermochemical processes involve coupling processes that span several orders of magnitude in space and time. Computational difficulties arise from the multitude of the problem governing equations, each typically applying over a narrow range of spatiotemporal scales, thus making it necessary to represent the processes as the resu…
May, 2012
Conference Paper
NUMERICAL VERIFICATION OF EQUILIBRIUM CHEMISTRY
A numerical tool is in an advanced state of development to compute the equilibrium compositions of phases and their proportions in multi-component systems of importance to the nuclear industry. The resulting software is being conceived for direct integration into large multi-physics fuel performance codes, particularly for providing boundary conditions in heat and mass tra…
Mar, 2011
ORNL Report
The AMP (Advanced MultiPhysics) Nuclear Fuel Performance Code
The AMP (Advanced MultiPhysics) Nuclear Fuel Performance code is a new, three-dimensional, multi- physics tool that uses state-of-the-art solution methods and validated nuclear fuel models to simulate nominal operation and anticipated operational transients of nuclear fuel. The AMP Nuclear Fuel Perfor- mance code leverages existing validated material models from traditiona…
May, 2010
Journal
Time-parallel multiscale/multiphysics framework
We introduce the time-parallel compound wavelet matrix method (tpCWM) for modeling the temporal evolution of multiscale and multiphysics systems. The method couples time parallel (TP) and CWM methods operating at different spatial and temporal scales. We demonstrate the efficiency of our approach on two examples: a chemical reaction kinetic system and a non-linear predator…
May, 2010
Journal
Modeling the coupling of reaction kinetics and hydrodynamics in a collapsing cavity
We introduce a model of cavitation based on the multiphase Lattice Boltzmann method (LBM) that allows for coupling between the hydrodynamics of a collapsing cavity and supported solute chemical species. We demonstrate that this model can also be coupled to deterministic or stochastic chemical reactions. In a two-species model of chemical reactions (with a major and a minor…