Computational simulations of latent heat thermal energy storage systems - with innovative and first-principles based simulation for the underlying unsteady melting (and solidification) processes

This thesis develops an effective modeling and simulation procedure for a specific thermal energy storage system commonly used and recommended for various applications (such as an auxiliary energy storage system for solar heating based Rankine cycle power plant). This thermal energy storage system transfers heat from a hot fluid (termed as heat transfer fluid - HTF) flowing in a tube to the surrounding phase change material (PCM). Through unsteady melting or freezing process, the PCM absorbs or releases thermal energy in the form of latent heat. Both scientific and engineering information is obtained by the proposed first-principle based modeling and simulation procedure. On the scientific side, the approach accurately tracks the moving melt-front (modeled as a sharp liquid-solid interface) and provides all necessary information about the time-varying heat-flow rates, temperature profiles, stored thermal energy, etc. On the engineering side, the proposed approach is unique in its ability to accurately solve – both individually and collectively – all the conjugate unsteady heat transfer problems for each of the components of the thermal storage system. This yields critical system level information on the various time-varying effectiveness and efficiency parameters for the thermal storage system.

Modelling and simulations of ductile iron solidification-induced variations in mechanical behaviour on component and microstructural level

The mechanical behaviour and performance of a ductile iron component is highly dependent on the local variations in solidification conditions during the casting process. Here we show a framework which combine a previously developed closed chain of simulations for cast components with a micro-scale Finite Element Method (FEM) simulation of the behaviour and performance of the microstructure. A casting process simulation, including modelling of solidification and mechanical material characterization, provides the basis for a macro-scale FEM analysis of the component. A critical region is identified to which the micro-scale FEM simulation of a representative microstructure, generated using X-ray tomography, is applied. The mechanical behaviour of the different microstructural phases are determined using a surrogate model based optimisation routine and experimental data. It is discussed that the approach enables a link between solidification- and microstructure-models and simulations of as well component as microstructural behaviour, and can contribute with new understanding regarding the behaviour and performance of different microstructural phases and morphologies in industrial ductile iron components in service.

Mechanical Blocking Mechanism for the Columnar to Equiaxed Transition

Mechanical blocking of the columnar front during the columnar to equiaxed transition (CET) is studied by quantitatively comparing the CET positions obtained with one stochastic model and two deterministic models for the unidirectional solidification of an Al-7 (wt pct) Si alloy. One of the deterministic models is based on the solutal blocking of the columnar front, whereas the other model is based on the mechanical blocking. The solutal-blocking model and the mechanical-blocking model with the traditional blocking fraction of 0.49 give columnar zones larger than those predicted with the stochastic model. When a blocking fraction of 0.2 is adopted, however, the agreement is very good for a range of nucleation undercoolings and number density of equiaxed grains. Therefore, changing the mechanical-blocking fraction in deterministic models from 0.49 to 0.2 seems to model more accurately the mechanical-blocking process that can lead to the CET.

Bioactive coating on titanium implants modified by Nd:YVO4 laser

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Untersuchungen zur Verfestigungskinetik in Suspensionen kolloidaler Partikel

Kolloidale Suspensionen, bei denen man die kolloidalen Teilchen als "Makroatome" in einem Kontinuum aus Lösungsmittelmolekülen auffaßt, stellen ein geeignetes Modellsystem zur Untersuchung von Verfestigungsvorgängen dar. Auf Grund der typischen beteiligten Längen- und Zeitskalen können Phasenübergänge bequem mit optischen Verfahren studiert werden. In der vorliegenden Arbeit wurde die Kinetik der Kristallisation in drei kolloidalen Systemen unterschiedlicher Teilchen-Teilchen-Wechselwirkung mit Lichtstreu- und mikroskopischen Methoden untersucht. Zur Untersuchung von Suspensionen aus sterisch stabilisierten PMMA-Teilchen, die in guter Näherung wie harte Kugeln wechselwirken, wurde ein neuartiges Laserlichtstreuexperiment aufgebaut, das die gleichzeitige Detektion von Bragg- und Kleinwinkelstreuung an einer Probe erlaubt. Damit konnte der zeitliche Verlauf der Kristallisation verfolgt sowie u.a. Nukleationsraten und erstmals auch Wachstumsgeschwindigkeiten bestimmt werden; diese wurden mit klassischer Nukleationstheorie sowie Wilson-Frenkel-Wachstum verglichen. In beiden Fällen konnte sehr gute Übereinstimmung mit der Theorie festgestellt werden. In Systemen geladener Partikel wurden mit Bragg-Mikroskopie die Wachstumsgeschwindigkeiten heterogener, an der Wand der Probenzelle aufwachsender Kristalle untersucht. Die Anpassung eines Wilson-Frenkel-Wachstumsgesetzes gelingt auch hier, wenn man die dazu eingeführte reskalierte Energiedichte auf den Schmelzpunkt bezieht. Geeignete Reskalierung der Daten erlaubt den Vergleich mit den Hartkugelsystemen. Zum ersten Mal wurde die Kristallisationskinetik in zwei verschiedenen kolloidalen binären Mischungen bestimmt und ausgewertet: In Beimischungen einer nichtkristallisierenden Teilchensorte zu einer kristallisierenden Suspension konnten die Daten mit einem modifizierten Wilson-Frenkel-Gesetz beschrieben werden, während in Mischungen aus zwei kristallisierenden Partikelsystemen eine unerwartet hohe Abnahme der Wachstumsgeschwindigkeiten beobachtet wurde. Kolloidale Suspensionen hartkugelähnlicher Mikrogel-Partikel konnten mit Hilfe des Lichtstreuaufbaues ebenfalls zum ersten Mal untersucht werden. Es wurde eine ähnliche Kristallisationskinetik wie in den PMMA-Systemen gefunden, jedoch auch einige wichtige Unterschiede, die insbesondere den Streumechanismus im Kleinwinkelbereich betrafen. Hier wurden verschiedene Interpretationsvorschläge diskutiert.

Prediction of cold shuts using an unstructured mesh finite volume code

Abstract not available

A three dimensional finite volume approach to the thermo-mechanical modelling of the shape casting of metals

This paper presents a three dimensional, thermos-mechanical modelling approach to the cooling and solidification phases associated with the shape casting of metals ei. Die, sand and investment casting. Novel vortex-based Finite Volume (FV) methods are described and employed with regard to the small strain, non-linear Computational Solid Mechanics (CSM) capabilities required to model shape casting. The CSM capabilities include the non-linear material phenomena of creep and thermo-elasto-visco-plasticity at high temperatures and thermo-elasto-visco-plasticity at low temperatures and also multi body deformable contact with which can occur between the metal casting of the mould. The vortex-based FV methods, which can be readily applied to unstructured meshes, are included within a comprehensive FV modelling framework, PHYSICA. The additional heat transfer, by conduction and convection, filling, porosity and solidification algorithms existing within PHYSICA for the complete modelling of all shape casting process employ cell-centred FV methods. The termo-mechanical coupling is performed in a staggered incremental fashion, which addresses the possible gap formation between the component and the mould, and is ultimately validated against a variety of shape casting benchmarks.

Computational modelling of interacting phenomena in the shape casting process

Abstract not available

Finite volume modelling of shrinkage porosity formation in metal casting

Abstract not available

The spectral modelling of contactless induction melting for reactive metals

Abstract not available

Rheological behaviour of the mushy zone and its effect on the formation of casting defects during solidification

A new conceptual framework has been developed which explains the formation of shear-related casting defects such as porosity, segregation and tears. The theory relates defect formation to the mechanical behaviour of the partially solidified microstructure when shear stresses are developed during the filling of a casting and by the subsequent feeding processes during solidification. Two transition points, the dendrite coherency point and the maximum packing solid fraction, divide the mushy zone into three regions of different mechanical and feeding behaviours. The response of the mush to shear is related to the presence of these zones during solidification of a casting. The resulting defects are rationalized by considering the governing local shear stress and shear rate, local strength and time available for fluid flow. The design of the casting, the casting process used and the alloy composition all influence the relative importance of shearing on defect formation. (C) 1998 Acta Metallurgica Inc. Published by Elsevier Science Ltd. All rights reserved.

Investigations of growth processes in Y-Ba-Cu-O materials by microstructural examination of quenched samples

Y-Ba-Cu-O samples with additions of Y2O3 and CeO2 were quenched during seeded isothermal melt processing and examined by optical microscopy and scanning electron microscopy. Large YBa2Cu3O7-y (Y123) particles in the starting powder were found to form a distinct type of melt during heating, which was unaffected by the Y2O3 or CeO2 additives. This type of melt later formed regions with a low concentration of Y2BaCuO5 (Y211) particles in the Y123 matrix. The maximum growth rate of Y123 that could be sustained in the sample was found to be lower in the melt formed from large Y123 particles, and this may lead to growth accidents and subgrains in some samples.

Recommendations and guidelines for the performance of accurate heat transfer measurements in rapid forming processes

The published requirements for accurate measurement of heat transfer at the interface between two bodies have been reviewed. A strategy for reliable measurement has been established, based on the depth of the temperature sensors in the medium, on the inverse method parameters and on the time response of the sensors. Sources of both deterministic and stochastic errors have been investigated and a method to evaluate them has been proposed, with the help of a normalisation technique. The key normalisation variables are the duration of the heat input and the maximum heat flux density. An example of application of this technique in the field of high pressure die casting is demonstrated. The normalisation study, coupled with previous determination of the heat input duration, makes it possible to determine the optimum location for the sensors, along with an acceptable sampling rate and the thermocouples critical response-time (as well as eventual filter characteristics). Results from the gauge are used to assess the suitability of the initial design choices. In particular the unavoidable response time of the thermocouples is estimated by comparison with the normalised simulation. (c) 2006 Elsevier Ltd. All rights reserved.

An experimental study of the effects of double-diffusive convention processes during the solification of binary alloys

Experiments were conducted to show the effects of thermal and geometric boundary conditions on the liquid pool of a binary alloy system which is undergoing phase change, solidification. Transparent analogue solutions were selected for study and experimental apparatus were designed and built. Thermal distribution and concentration data were collected and analysed for the melt pool of various selected geometries and boundary conditions of the systems under study. The data indicate-that characteristic flows develop for both Hypereutectic and Hypoeutectic concentration levels and that the development of macrosegregation and microsegregation defects in continuous casting materials can be minimised by the adjustment of the process variables.