Search results for " Simulation"

Cohesive–frictional interface constitutive model

2009

AbstractIn the framework of numerical analysis of joined bodies, the present paper is devoted to the constitutive modeling, via an interface kinematic formulation, of mechanical behaviour of internal adhesive layers. The proposed interface constitutive model couples a cohesive behaviour, based on the damage mechanics theory, with a frictional one, defined in a non-associative plasticity framework. Namely, the interface formulation follows the transition of the adhesive material from the sound elastic condition to the fully cracked one. This formulation is able to model, by means of a specific interpretation of the damage variable and in a relevant mathematical setting, the interface interme…

Burner backflow reduction in regeneration furnace

2011

In the present case from the steel industry, waste hydrochloric acid from the pickling process is regenerated using spray roasting. The process is driven by four burners placed symmetrically along the periphery of the cylindrical main section of the reactor. Severe problems with gas backflow and sintering of iron oxide inside the burner chamber have led to a complete shut down of the process 1-2 times every week, which is a frequency which significantly affects the productivity. In this study the influence of a kick-out on the gas flow in the vicinity of the burner chamber is investigated numerically. It is shown that the kick-out geometry creates a vortical low pressure region preventing t…

Numerical investigation of the mechanical properties of a novel hybrid polymer composite reinforced with graphene and MXene nanosheets

2020

Abstract This paper presents a numerical investigation of the elastic properties of a novel hybrid polymer composite reinforced with graphene and MXene nanosheets. A finite element computational model was developed to analyze the mechanical properties of a new polymer hybrid composite reinforced with MXene and graphene taking into account the properties of the 2D nanosheets, different aspect ratios, placement options and volume fractions of nanoreinforcements, as well as the interaction effects between the nanofillers and the surrounding polymer matrix. Using the developed numerical model, the influences of the interface layer properties, MXene and graphene aspect ratio, alignment and volum…

Gas Transport in Mixed Matrix Membranes: Two Methods for Time Lag Determination

2020

The most widely used method to measure the transport properties of dense polymeric membranes is the time lag method in a constant volume/pressure increase instrument. Although simple and quick, this method provides only relatively superficial, averaged data of the permeability, diffusivity, and solubility of gas or vapor species in the membrane. The present manuscript discusses a more sophisticated computational method to determine the transport properties on the basis of a fit of the entire permeation curve, including the transient period. The traditional tangent method and the fitting procedure were compared for the transport of six light gases (H2, He, O2, N2, CH4, and CO2) and ethane an…

The effect of a liquid CTBN rubber modifier on the thermo-kinetic parameters of an epoxy resin during a pultrusion process

2003

Abstract Rheo-kinetic behaviour of an epoxy resin, coupled with an anhydride hardener, with different CTBN liquid rubber concentration (0–15 phr), used in fibre reinforced plastics, was analysed comparing experimental data with theoretical models. The modelling of technological pultrusion process for thermoset matrix composites, developed through a numerical code realised with MATLAB, is reported, too. The model includes conduction and cure heat, degree of cure and viscosity evolution during the curing within the die. Considerable differences in process condition, using different rubber amount, are obtained. The numerical modelling of process conditions shows that the CTBN rubber presence i…

Numerical simulation of heat transfer problem for layered gypsum products exposed to fire

2018

A grain-scale model for high-cycle fatigue degradation in polycrystalline materials

2018

Abstract A grain-scale three-dimensional model for the analysis of fatigue intergranular degradation in polycrystalline materials is presented. The material microstructure is explicitly represented through Voronoi tessellations, of either convex or non-convex domains, and the mechanics of individual grains is modelled using a boundary integral formulation. The intergranular interfaces degrade under the action of cyclic loads and their behaviour is represented employing a cohesive zone model embodying a local irreversible damage parameter that evolves according to high-cycle continuum damage laws. The model is based on the use of a damage decomposition into static and cyclic contributions, a…

From Behavior of Water on Hydrophobic Graphene Surfaces to Ultra-Confinement of Water in Carbon Nanotubes

2021

In recent years and with the achievement of nanotechnologies, the development of experiments based on carbon nanotubes has allowed to increase the ionic permeability and/or selectivity in nanodevices. However, this new technology opens the way to many questionable observations, to which theoretical work can answer using several approximations. One of them concerns the appearance of a negative charge on the carbon surface, when the latter is apparently neutral. Using first-principles density functional theory combined with molecular dynamics, we develop here several simulations on different systems in order to understand the reactivity of the carbon surface in low or ultra-high confinement. …

On the blue phase structure of hydrogen-bonded liquid crystals via 19F NMR

2018

Abstract 19 F NMR spectra are simulated for blue phase I of FPHG( St 1.5 ∗ Ap 1.5 ) based on a model of a double-twisted substructure inside cylinders that form a body-centred cubic lattice. A kinetic matrix is included to describe jump processes over quarter pitch lengths. Though the lines in the NMR spectra are broad and featureless, changes in the widths and positions with temperature are well described by the blue phase model structure. The spectra in the chiral nematic N∗ phase are also simulated. Dynamics in the BP I are found to be slower than in the N∗ phase.

Multiscale modeling of polymers at interfaces

2009

A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this process, degrees of freedom on smaller scales are eliminated to the favor of a model suitable for efficient study of the system behavior on larger length and time scales. We emphasize the need to distinguish between dynamic and static properties regarding the model validation. A model which accurately reproduces static properties may fail completely, when it comes to the dynamic behavior of the system. Furthermore, we comment on the use of Monte Carlo method i…