Related papers: Implementation of Analytical Jacobian and Chemical…
In this study, we introduce a novel open-source chemistry model for OpenFOAM to speed-up the reactive computational fluid dynamics (CFD) simulations using finite-rate chemistry. First, a dynamic load balancing model called DLBFoam is…
Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for…
Failure modes and effects analysis (FMEA) is one of the most practical design tools implemented in the product design to analyze the possible failures and to improve the design. The use of FMEA is diversified, and different approaches are…
This paper presents the first time implementation of the eXtended Finite Element Method (XFEM) in the general purpose commercial software COMSOL Multiphysics. An enrichment strategy is proposed, consistent with the structure of the…
Biomedical applications of plasmonic nanoparticle conjugates need control over their optical properties modulated by surface coating with stabilizing or targeting molecules often attached to or embedded in the secondary functionalization…
We develop an Fe-C-H interatomic potential based on the modified embedded-atom method (MEAM) formalism based on density functional theory to enable large-scale modular dynamics simulations of carbon steel and hydrogen.
Recent developments of the Cascade-Exciton Model (CEM) of nuclear reactions to describe high energy particle induced fission are briefly described. The increased accuracy and predictive power of the CEM are shown by several examples.…
A novel extension of a rapid compression machine (RCM), namely a Rapid Compression Expansion Machine (RCEM), is described and its use for studying chemical kinetics is demonstrated. Like conventional RCMs, the RCEM quickly compresses a…
This paper recalls the principles of the finite-element methods (FEM) theory and declines its application in the EN-MME group, for the numerical modelling and study of particle accelerator equipment. Implicit and explicit methods are…
Determination of the explosion severity parameters of biomass is crucial for the safety management and dust explosion risk assessment of biomass-processing industries. These are commonly determined following experimental tests in the 20L…
The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the binding energy…
In full-scale forced vibration tests, the demand often arises to capture high-spatial-resolution mode shapes with limited number of sensors and shakers. Multi-setup experimental modal analysis (EMA) addresses this challenge by roving…
The electrochemical frequency modulation (EFM) technique can consider as a new tool for electrochemical corrosion monitoring. The calculation of corrosion rate with a non-destructive and rapid technique is a necessity to study corrosion…
In almost 30 years of PEM fuel cell modeling, countless numerical models have been developed in science and industrial applications, almost none of which have been fully disclosed to the public. There is a large need for standardization and…
A set of Modified Embedded Atom Method (MEAM) potentials for the interactions between Al, Si, Mg, Cu, and Fe was developed from a combination of each element's MEAM potential in order to study metal alloying. Previously published MEAM…
An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…
Determining the effective permeability (keff) of geological formations has broad applications to site remediation, aquifer discharge or recharge, hydrocarbon production, and enhanced oil recovery. The objectives of this study are: (1) to…
We present our simulation tool JCMmode for calculating propagating modes of an optical waveguide. As ansatz functions we use higher order, vectorial elements (Nedelec elements, edge elements). Further we construct transparent boundary…
Recent improvements to the Cascade-Exciton Model (CEM) of nuclear reactions are briefly described. They concern mainly the cascade stage of reactions and a better description of nuclei during the preequilibrium and evaporation stages of…
The determination of liquid phase equilibria plays an important role in chemical process simulation. This work presents a generalization of an approach called the convex envelope method (CEM), which constructs all liquid phase equilibria…