A computational model for the cooling phase of injection moulding

This paper discusses the approaches and techniques used to build a realistic numerical model to analyse the cooling phase of the injection moulding process. The procedures employed to select an appropriate mesh and the boundary and initial conditions for the problem are discussed and justified. The final model is validated using direct comparisons with experimental results generated in an earlier study. The model is shown to be a useful tool for further studies aimed at optimising the cooling phase of the injection moulding process. Using the numerical model provides additional information relating to changes in conditions throughout the process, which otherwise could not be deduced or assessed experimentally. These results, and other benefits related to the use of the model, are also discussed in the paper. © 2007 Elsevier B.V. All rights reserved.

Comparative study of diastereoisomer interconversion in chiral BINOL-ate and diamine platinum complexes of conformationally flexible NUPHOS diphosphines

A thorough and detailed study of diastereointerconversion in the chiral platinum complexes [(NUPHOS)Pt{(S)-BINOL}] (3a-e) has been undertaken and compared with the results of a similar study with [(BIPHEP)Pt{(S)-BINOL}]. Rate data revealed that this process obeys first-order relaxation kinetics, and rate constants for conversion of the minor to the major diastereoisomer have been obtained. Eyring analysis of the data gave DeltaH(double dagger) and DeltaS(double dagger) values of 22-25 kcal mol(-1) and -1 to -16 eu, respectively. In combination with computational analysis, these studies indicate that atropinversion most likely occurs via an on-metal pathway involving a planar seven-membered transition state. Substitution of (S)-BINOL for (S,S)-DPEN results in a marked reduction in the barrier to atropinversion; a DeltaH(double dagger) value of 17 kcal mol(-1) has been determined for the conversion of delta-[(Ph-4-NUPHOS)Pt{(S,S)-DPEN}]Cl-2 to lambda-[(Ph-4-NUPHOS)Pt{(S,S)-DPEN}]Cl-2, which could indicate that an alternative mechanism operates.

Comparing the implementation of two-dimensional numerical quadrature on GPU, FPGA and ClearSpeed systems to study electron scattering by atoms

The use of accelerators, with compute architectures different and distinct from the CPU, has become a new research frontier in high-performance computing over the past ?ve years. This paper is a case study on how the instruction-level parallelism offered by three accelerator technologies, FPGA, GPU and ClearSpeed, can be exploited in atomic physics. The algorithm studied is the evaluation of two electron integrals, using direct numerical quadrature, a task that arises in the study of intermediate energy electron scattering by hydrogen atoms. The results of our ‘productivity’ study show that while each accelerator is viable, there are considerable differences in the implementation strategies that must be followed on each.

Cement mantle fatigue failure in total hip replacement: Experimental and computational testing

One possible loosening mechanism of the femoral component in total hip replacement is fatigue cracking of the cement mantle. A computational method capable of simulating this process may therefore be a useful tool in the preclinical evaluation of prospective implants. In this study, we investigated the ability of a computational method to predict fatigue cracking in experimental models of the implanted femur construct. Experimental specimens were fabricated such that cement mantle visualisation was possible throughout the test. Two different implant surface finishes were considered: grit blasted and polished. Loading was applied to represent level gait for two million cycles. Computational (finite element) models were generated to the same geometry as the experimental specimens, with residual stress and porosity simulated in the cement mantle. Cement fatigue and creep were modelled over a simulated two million cycles. For the polished stem surface finish, the predicted fracture locations in the finite element models closely matched those on the experimental specimens, and the recorded stem displacements were also comparable. For the grit blasted stem surface finish, no cement mantle fractures were predicted by the computational method, which was again in agreement with the experimental results. It was concluded that the computational method was capable of predicting cement mantle fracture and subsequent stem displacement for the structure considered. (C) 2006 Elsevier Ltd. All rights reserved.

Alternative method to evaluate discharge coefficients. Part 2: case study

The purpose of this article is to apply an alternative method whereby discharge coefficients can be estimated for the flow through a poppet valve at various lifts. Presented is the development of an operational quasi-steady flow rig. An engine cylinder head poppet valve was used as the case study. The requirement to directly measure mass flowrates using a standard conventional steady flow apparatus has been eliminated. Transient mass flowrates, pressures and temperatures of air during an inflow test for a poppet valve at various lifts were measured. Mass flowrates were also calculated from measured cylinder gas pressures and corrected for heat transfer. Using both methods to determine the mass flowrates, isentropic discharge coefficients were calculated and shown to compare within +/- 4.0 per cent of steady flow data. A computational fluid dynamics (CFD) validation of the quasi-steady flow rig is also presented.

A Theoretical and Experimental Study of Resonance in a High Performance Engine Intake System: Part 1

The unsteady gas dynamic phenomena in engine intake systems of the type found in racecars have been examined. In particular, the resonant tuning effects, including cylinder-to-cylinder power variations, which can occur as a result of the interaction between an engine and its airbox have been considered. Frequency analysis of the output from a Virtual 4-Stroke 1D engine simulation was used to characterise the forcing function applied by an engine to an airbox. A separate computational frequency sweeping technique, which employed the CFD package FLUENT, was used to determine the natural frequencies of virtual airboxes in isolation from an engine. Using this technique, an airbox with a natural frequency at 75 Hz was designed for a Yamaha R6 4-cylinder motorcycle engine. The existence of an airbox natural frequency at 75 Hz was subsequently confirmed by an experimental frequency sweeping technique carried out on the engine test bed. A coupled 1D/3D analysis which employed the engine simulation package Virtual 4-Stroke and the CFD package FLUENT, was used to model the combined engine and airbox system. The coupled 1D/3D analysis predicted a 75 Hz resonance of the airbox at an engine speed of 9000 rpm. This frequency was the induction frequency for a single cylinder. An airbox was fabricated and tested on the engine. Static pressure was recorded at a grid of points in the airbox as the engine was swept through a speed range of 3000 to 10000 rpm. The measured engine speed corresponding to resonance in the airbox agreed well with the predicted values. There was also good correlation between the amplitude and phase of the pressure traces recorded within the airbox and the 1D/3D predictions.

Molecular modeling of N-terminal domains of NMDA-receptor. Study of ligand binding with N-terminal domains

Using the molecular-graphic complex Sybyl6.7.2, computational construction of spatial models for N-terminal domains (of NR1- and NR2B-subunits) of NMDA-receptor was conducted. On the basis of the constructed models and also CoMFA method the conclusion is made about presence of the binding site for the compounds similar to iphenprodyl in two N-terminal domains of NR1- and NR2B-subunits. The obtained data can be used for constructing new ligands.

Numerical Study of Film Cooling Scheme on a Blunt-Nosed Body in Hypersonic Flow

In hypersonic flight, the prediction of aerodynamic heating and the construction of a proper thermal protection system (TPS) are significantly important. In this study, the method of a film cooling technique, which is already the state of the art in cooling of gas turbine engines, is proposed for a fully reusable and active TPS. Effectiveness of the film cooling scheme to reduce convective heating rates for a blunt-nosed spacecraft flying at Mach number 6.56 and 40 deg angle of attack is investigated numerically. The inflow boundary conditions used the standard values at an altitude of 30 km. The computational domain consists of infinite rows of film cooling holes on the bottom of a blunt-nosed slab. Laminar and several turbulent calculations have been performed and compared. The influence of blowing ratios on the film cooling effectiveness is investigated. The results exhibit that the film cooling technique could be an effective method for an active cooling of blunt-nosed bodies in hypersonic flows.

Numerical study of film cooling scheme on a blunt-nosed body in hypersonic flow

In hypersonic flights, the prediction of aerodynamic heating and the construction of a proper thermal protection system (TPS) are significantly important. In this study, the method of a film cooling technique, which is already the state of the art in cooling gas turbine engine, is proposed for a fully reusable and active TPS. Effectiveness of the film cooling scheme to reduce convective heating rates for a blunt nosed spacecraft flying at Mach number 6.56 and 40 degree angle of attack is investigated numerically. The inflow boundary conditions used the standard values at an altitude of 30 km. Computational domain consists of infinite rows of film cooling holes on the bottom of a blunt-nosed slab. Laminar and several turbulent calculations have been performed and compared each other. The influence of blowing ratios on the film cooling effectiveness is investigated. The results exhibit that the film cooling technique could be an effective method for an active cooling of blunt-nosed bodies in hypersonic flows.

Numerical Study of Wave Slamming on an Oscillating Flap

Bottom hinged Oscillating Wave Surge Converters (OWSCs) are efficient devices for extracting power from ocean waves. There is limited knowledge about wave slamming on such devices. This paper deals with numerical studies of wave slamming on an oscillating flap to investigate the mechanism of slamming events. In our model, the Navier–Stokes equations are discretized using the Finite Volume method with the Volume of Fluid (VOF) approach for interface capturing. Waves are generated by a flaptype wave maker in the numerical wave tank, and the dynamic mesh method is applied to model the motion of the oscillating flap. Basic mesh and time step refinement studies are performed. The flow characteristics in a slamming event are analysed based on numerical results. Various simulations with different flap densities, water depths and wave amplitudes are performed for a better understanding of the slamming.

Experimental and Computational Approach Investigating Burst Fracture Augmentation Using PMMA and Calcium Phosphate Cements

The aim of the study was to use a computational and experimental approach to evaluate, compare and predict the ability of calcium phosphate (CaP) and poly (methyl methacrylate) (PMMA) augmentation cements to restore mechanical stability to traumatically fractured vertebrae, following a vertebroplasty procedure. Traumatic fractures (n = 17) were generated in a series of porcine vertebrae using a drop-weight method. The fractured vertebrae were imaged using μCT and tested under axial compression. Twelve of the fractured vertebrae were randomly selected to undergo a vertebroplasty procedure using either a PMMA (n = 6) or a CaP cement variation (n = 6). The specimens were imaged using μCT and re-tested. Finite element models of the fractured and augmented vertebrae were generated from the μCT data and used to compare the effect of fracture void fill with augmented specimen stiffness. Significant increases (p <0.05) in failure load were found for both of the augmented specimen groups compared to the fractured group. The experimental and computational results indicated that neither the CaP cement nor PMMA cement could completely restore the vertebral mechanical behavior to the intact level. The effectiveness of the procedure appeared to be more influenced by the volume of fracture filled rather than by the mechanical properties of the cement itself.

Kinetics study on thermal dissociation of levoglucosan during cellulose pyrolysis

(Chemical Equation Presented) The mechanisms and kinetics studies of the levoglucosan (LG) primary decomposition during cellulose pyrolysis have been carried out theoretically in this paper. Three decomposition mechanisms (C-O bond scission, C-C bond scission, and LG dehydration) including nine pathways and 16 elementary reactions were studied at the B3LYP/6-31 + G(D,P) level based on quantum mechanics. The variational transi-tion- state rate constants for every elementary reaction and every pathway were calculated within 298-1550 K. The first-order Arrhenius expressions for these 16 elementary reactions and nine pathways were suggested. It was concluded that computational method using transition state theory (TST) without tunneling correction gives good description for LG decomposition by comparing with the experimental result. With the temperature range of 667-1327 K, one dehydration pathway, with one water molecule composed of a hydrogen atom from C3 and a hydroxyl group from C2, is a preferred LG decomposition pathway by fitting well with the experimental results. The calculated Arrhenius plot of C-O bond scission mechanism is better agreed with the experimental Arrhenius plot than that of C-C bond scission. This C-O bond scission mechanism starts with breaking of C1-O5 and C6-O1 bonds with formation of CO molecule (C1-O1) simultaneously. C-C bond scission mechanism is the highest energetic barrier pathway for LG decomposition. © 2013 Elsevier Ltd. All rights reserved.

A numerical study of automotive turbocharger mixed flow turbine inlet geometry for off design performance

Mixed flow turbines represent a potential solution to the increasing requirement for high pressure, low velocity ratio operation in turbocharger applications. While literature exists for the use of these turbines at such operating conditions, there is a lack of detailed design guidance for defining the basic geometry of the turbine, in particular, the cone angle – the angle at which the inlet of the mixed flow turbine is inclined to the axis. This investigates the effect and interaction of such mixed flow turbine design parameters.
Computational Fluids Dynamics was initially used to investigate the performance of a modern radial turbine to create a baseline for subsequent mixed flow designs. Existing experimental data was used to validate this model.
Using the CFD model, a number of mixed flow turbine designs were investigated. These included studies varying the cone angle and the associated inlet blade angle.
The results of this analysis provide insight into the performance of a mixed flow turbine with respect to cone and inlet blade angle.

Validated Cfd Study of Indoor Environmental Conditions in a Highly Glazed , Cross-Ventilated Meeting Room

This paper investigates the environmental conditions inside a highly-glazed cross-ventilated meeting room. A 3D computational fluid dynamics (CFD) model of an indoor environment is developed with the support of the field measurements performed in a normally operating room. The work presented here follows the steps of the formal calibration methodology for the development of CFD models of naturally ventilated environments. This paper utilises the calibration methodology in order to predict environmental conditions within the highly-glazed cross-ventilated room occupied by people. The CFD model is verified and validated with field measurements performed in an operating building. Moreover, parametric analysis determines the most influential boundary conditions on indoor air temperatures and air speeds