A Computational Comparison of Two FEM Solvers for Nonlinear Incompressible Flow

2003 ◽  
pp. 87-109 ◽  
Author(s):  
Jaroslav Hron ◽  
Abderrahim Ouazzi ◽  
Stefan Turek
Keyword(s):  
Incompressible Flow ◽  
Computational Comparison

Dilation-free solutions for the incompressible flow equations on nonstaggered grids

AIAA Journal ◽  
1997 ◽  
Vol 35 ◽  
pp. 585-586
Author(s):  
P. A. Russell ◽  
S. Abdallah
Keyword(s):  
Incompressible Flow ◽  
Flow Equations

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

INCOMPRESSIBLE FLOW AT LOW REYNOLDS NUMBER IN A CONICAL ENTRANCE ORIFICE PLATE

2019 ◽  
Author(s):  
MARA NILZA ESTANISLAU REIS ◽  
Wender Oliveira ◽  
Pedro Américo Almeida Magalhães Júnior
Keyword(s):  
Reynolds Number ◽  
Incompressible Flow ◽  
Low Reynolds Number ◽  
Orifice Plate ◽  
Low Reynolds

Flow through axial-flow-turbomachinery blading

2018 ◽  
Author(s):  
Marcel Escudier
Keyword(s):  
Flow Velocity ◽  
Compressible Flow ◽  
Dimensional Analysis ◽  
Incompressible Flow ◽  
Compressible Fluid ◽  
Axial Flow ◽  
Linear Cascade ◽  
Dimensional Parameters ◽  
Flow Through

This chapter is concerned primarily with the flow of a compressible fluid through stationary and moving blading, for the most part using the analysis introduced in Chapter 11. The principles of dimensional analysis are applied to determine the appropriate non-dimensional parameters to characterise the performance of a turbomachine. The analysis of incompressible flow through a linear cascade of aerofoil-like blades is followed by the analysis of compressible flow. Velocity triangles for flow relative to blades, and Euler’s turbomachinery equation, are introduced to analyse flow through a rotor. The concepts introduced are applied to the analysis of an axial-turbomachine stage comprising a stator and a rotor, which applies to either a compressor or a turbine.

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