Reconstruction of 2D Al Ti on TiB in an aluminium melt

It has been widely considered that Al Ti is involved in the aluminium nucleation on TiB , although the mechanism has not been fully understood. In this paper molecular dynamics has been conducted to investigate this phenomenon at an atomistic scale. It was found that a two-dimensional Al Ti layer may remain on TiB above the aluminium liquidus. In addition, the results showed that this 2D Al Ti undergoes interface reconstruction by forming a triangular pattern. This triangular pattern consists of different alternative stacking sequences. The transition region between the triangles forms an area of strain concentration. By means of this mechanism, this interfacial Al Ti layer stabilizes itself by localizing the large misfit strain between TiB and Al Ti This reconstruction is similar to the hdp-fcc interface reconstruction in other systems which has been observed experimentally.EPSR

Mechanisms of grain refinement by intensive shearing of AZ91 alloy melt

The official published version of the article can be accessed at the link below.It has been demonstrated recently that intensive melt shearing can be an effective approach to the grain refinement of both shape casting and continuous casting of Mg alloys. In the present study, the mechanisms of grain refinement by intensive melt shearing were investigated through a combination of both modelling and experimental approaches. The measurement of the cooling curves during solidification, quantification of grain size of the solidified samples, and image analysis of the MgO particle size and size distribution in the pressurized filtration samples were performed for the AZ91 alloy with and without intensive melt shearing. The experimental results were then used as input parameters for the free growth model to investigate the mechanisms of grain refinement by intensive melt shearing. The experimental results showed that, although intensive melt shearing does not change the nucleation starting temperature, it increases the nucleation finishing temperature, giving rise to a reduced nucleation undercooling. The theoretical modelling using the free growth model revealed quantitatively that intensive melt shearing can effectively disperse MgO particles densely populated in the oxide films into more individual particles in the alloy melt, resulting in an increase in the MgO particle density by three orders of magnitude and the density of active nucleating MgO particles by a factor of 20 compared with those of the non-sheared melt. Therefore, the grain refining effect of intensive melt shearing can be confidently attributed to the significantly increased refining efficiency of the naturally occurring MgO particles in the alloy melt as potent nucleation sites.Financial support under Grant EP/H026177/1 from the EPSRC

Mechanisms of enhanced heterogeneous nucleation during solidification in binary Al-Mg alloys

This is the post-print version of the Article. The official published version can be accessed from the link below - Copyright @ 2012 ElsevierThe mechanisms involved in the grain refinement of Al–Mg alloys through varying the Mg content and applying intensive melt shearing were investigated. It was found that the oxide formed in Al–Mg alloys under normal melting conditions is MgAl2O4, which displays an equiaxed and faceted morphology with {1 1 1} planes exposed as its natural surfaces. Depending on the Mg content, MgAl2O4 particles exist either as oxide films in dilute Al–Mg alloys (Mg 1 wt.%). Such MgAl2O4 particles can act as potent sites for nucleation of α-Al grains, which is evidenced by the well-defined cube-on-cube orientation relationship between MgAl2O4 and α-Al. Enhanced heterogeneous nucleation in Al–Mg alloys can be attributed to the high potency of MgAl2O4 particles with a lattice misfit of 1.4% and the increased number density of MgAl2O4 particles due to either natural dispersion by the increased Mg content or forced dispersion through intensive melt shearing. It was also found that intensive melt shearing leads to significant grain refinement of dilute Al–Mg alloys by effective dispersion of the MgAl2O4 particles entrapped in oxide films, but it has marginal effect on the grain refinement of concentrated Al–Mg alloys, where MgAl2O4 particles have been naturally dispersed into individual particles by the increased Mg content.This study is funded from the EPSRC Grant EP/H026177/1

An epitaxial model for heterogeneous nucleation on potent substrates

© The Minerals, Metals & Materials Society and ASM International 2012In this article, we present an epitaxial model for heterogeneous nucleation on potent substrates. It is proposed that heterogeneous nucleation of the solid phase (S) on a potent substrate (N) occurs by epitaxial growth of a pseudomorphic solid (PS) layer on the substrate surface under a critical undercooling (ΔT ). The PS layer with a coherent PS/N interface mimics the atomic arrangement of the substrate, giving rise to a linear increase of misfit strain energy with layer thickness. At a critical thickness (h ), elastic strain energy reaches a critical level, at which point, misfit dislocations are created to release the elastic strain energy in the PS layer. This converts the strained PS layer to a strainless solid (S), and changes the initial coherent PS/N interface into a semicoherent S/N interface. Beyond this critical thickness, further growth will be strainless, and solidification enters the growth stage. It is shown analytically that the lattice misfit (f) between the solid and the substrate has a strong influence on both h and ΔT ; h decreases; and ΔT increases with increasing lattice misfit. This epitaxial nucleation model will be used to explain qualitatively the generally accepted experimental findings on grain refinement in the literature and to analyze the general approaches to effective grain refinement.EPSRC Centre for Innovative Manufacturing in Liquid Metal Engineerin

Culture change in elite sport performance teams: Examining and advancing effectiveness in the new era

Reflecting the importance of optimizing culture for elite teams, Fletcher and Arnold (2011) recently suggested the need for expertise in culture change. Acknowledging the dearth of literature on the specific process, however, the potential effectiveness of practitioners in this area is unknown. The present paper examines the activity's precise demands and the validity of understanding in sport psychology and organizational research to support its delivery. Recognizing that sport psychologists are being increasingly utilized by elite team management, initial evidence-based guidelines are presented. Finally, to stimulate the development of ecologically valid, practically meaningful knowledge, the paper identifies a number of future research directions

Recent Developments in Modeling Heteroepitaxy/Heterogeneous Nucleation by Dynamical Density Functional Theory

Crystallization of supersaturated liquids usually starts by epitaxial growth or by heterogeneous nucleation on foreign surfaces. Herein, we review recent advances made in modeling heteroepitaxy and heterogeneous nucleation on flat/modulated surfaces and nanoparticles within the framework of a simple dynamical density functional theory, known as the phase-field crystal model. It will be shown that the contact angle and the nucleation barrier are nonmonotonous functions of the lattice mismatch between the substrate and the crystalline phase. In continuous cooling studies for substrates with lattice mismatch, we recover qualitatively the Matthews–Blakeslee mechanism of stress release via the misfit dislocations. The simulations performed for particle-induced freezing will be confronted with recent analytical results, exploring thus the validity range of the latter. It will be demonstrated that time-dependent studies are essential, as investigations based on equilibrium properties often cannot identify the preferred nucleation pathways. Modeling of these phenomena is essential for designing materials on the basis of controlled nucleation and/or nano-patterning

The Influence of the effect of solute on the thermodynamic driving force on grain refinement of Al alloys

Grain refinement is known to be strongly affected by the solute in cast alloys. Addition of some solute can reduce grain size considerably while others have a limited effect. This is usually attributed to the constitutional supercooling which is quantified by the growth restriction factor, Q. However, one factor that has not been considered is whether different solutes have differing effects on the thermodynamic driving force for solidification. This paper reveals that addition of solute reduces the driving force for solidification for a given undercooling, and that for a particular Q value, it is reduced more substantially when adding eutectic-forming solutes than peritectic-forming elements. Therefore, compared with the eutectic-forming solutes, addition of peritectic-forming solutes into Al alloys not only possesses a higher initial nucleation rate resulted from the larger thermodynamic driving force for solidification, but also promotes nucleation within the constitutionally supercooled zone during growth. As subsequent nucleation can occur at smaller constitutional supercoolings for peritectic-forming elements, a smaller grain size is thus produced. The very small constitutional supercooling required to trigger subsequent nucleation in alloys containing Ti is considered as a major contributor to its extraordinary grain refining efficiency in cast Al alloys even without the deliberate addition of inoculants.The Australian Research Council (ARC DP10955737)

Relationship between solidification microstructure and hot cracking susceptibility for continuous casting of low-carbon and high-strength low-alloyed steels: A phase-field study

© The Minerals, Metals & Materials Society and ASM International 2013Hot cracking is one of the major defects in continuous casting of steels, frequently limiting the productivity. To understand the factors leading to this defect, microstructure formation is simulated for a low-carbon and two high-strength low-alloyed steels. 2D simulation of the initial stage of solidification is performed in a moving slice of the slab using proprietary multiphase-field software and taking into account all elements which are expected to have a relevant effect on the mechanical properties and structure formation during solidification. To account for the correct thermodynamic and kinetic properties of the multicomponent alloy grades, the simulation software is online coupled to commercial thermodynamic and mobility databases. A moving-frame boundary condition allows traveling through the entire solidification history starting from the slab surface, and tracking the morphology changes during growth of the shell. From the simulation results, significant microstructure differences between the steel grades are quantitatively evaluated and correlated with their hot cracking behavior according to the Rappaz-Drezet-Gremaud (RDG) hot cracking criterion. The possible role of the microalloying elements in hot cracking, in particular of traces of Ti, is analyzed. With the assumption that TiN precipitates trigger coalescence of the primary dendrites, quantitative evaluation of the critical strain rates leads to a full agreement with the observed hot cracking behavior. © 2013 The Minerals, Metals & Materials Society and ASM International

Mediation: Incomplete information bargaining with filtered communication

Trabajo publicado como artículo en Journal of Mathematical Economics 39(7): 803-830 (2003).-- http://dx.doi.org/10.1016/S0304-4068(03)00048-XWe analyze a continuous-time bilateral double auction in the presence of two-sided incomplete information and a smallest money unit. A distinguishing feature of our model is that intermediate concessions are not observable by the adversary: they are only communicated to a passive auctioneer. An alternative interpretation is that of mediated bargaining. We show that an equilibrium using only the extreme agreements always exists and display the necessary and sufficient condition for the existence of (perfect Bayesian) equilibra which yield intermediate agreements. For the symmetric case with uniform type distribution we numerically calculate the equilibria. We find that the equilibrium which does not use compromise agreements is the least efficient, however, the rest of the equilibria yield the lower social welfare the higher number of compromise agreements are used

Grain refinement of magnesium alloys: a review of recent research, theoretical developments and their application

This paper builds on the ‘‘Grain Refinement of Mg Alloys’’ published in 2005 and reviews the grain refinement research onMg alloys that has been undertaken since then with an emphasis on the theoretical and analytical methods that have been developed. Consideration of recent research results and current theoretical knowledge has highlighted two important factors that affect an alloy’s as-cast grain size. The first factor applies to commercial Mg-Al alloys where it is concluded that impurity and minor elements such as Fe and Mn have a substantially negative impact on grain size because, in combination with Al, intermetallic phases can be formed that tend to poison the more potent native or deliberately added nucleant particles present in the melt. This factor appears to explain the contradictory experimental outcomes reported in the literature and suggests that the search for a more potent and reliable grain refining technology may need to take a different approach. The second factor applies to all alloys and is related to the role of constitutional supercooling which, on the one hand, promotes grain nucleation and, on the other hand, forms a nucleation-free zone preventing further nucleation within this zone, consequently limiting the grain refinement achievable, particularly in low solute-containing alloys. Strategies to reduce the negative impact of these two factors are discussed. Further, the Interdependence model has been shown to apply to a broad range of casting methods from slow cooling gravity die casting to fast cooling high pressure die casting and dynamic methods such as ultrasonic treatment