Faculty of Engineering
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Publication Embargo MCrAlY creep behaviour modelling by means of finite-element unit cells and self-consistent constitutive equations(SAGE Publications, 2009-01-01) Hermosilla, U; Karunaratne, M. S. A; Jones, I. A; Hyde, T. H; Thomson, R. CThe MCrAlY bond coats (BCs) used in thermal barrier coatings (TBCs) undergo severe microstructural changes that affect their creep behaviour. One method to take into account the effect of the high-temperature degradation in the creep properties of these alloys is by means of unit cell calculations that reproduce the microstructure present in the alloy. However, this method is not suitable to be included in large-scale calculations and a self-consistent constitutive model, based on Eshelby's inclusion technique, is presented for that purpose, showing good numerical agreement. Results are compared with experimental data obtained for several MCrAlY BCs.Publication Embargo Diffusion and activation of dopants in silicon and advanced silicon-based materials(IOP Publishing, 2006-08-17) Pichler, Peter; Ortiz, Christophe J; Colombeau, Benjamin; Cowern, Nicholas E B; Lampin, Evelyne; Uppal, Suresh; Karunaratne, M. S. AA quantitative description of the transient diffusion and activation of boron during post-implantation annealing steps is one of the most challenging tasks in the simulation of silicon doping processes. In industrially relevant situations, simulations needs to address diffusion at extrinsic concentrations, the agglomeration of self-interstitials, and the formation of boron-interstitial clusters. This paper describes the experimental work performed or used to calibrate model parameters as independently as possible. The combined model is then applied to ultra-shallow junction formation by annealing boron implanted into crystalline or preamorphized silicon. In comparison to bulk silicon, much less is known about diffusion of dopants in SiGe and germanium which are considered as technological options for future technology nodes. Therefore, dedicated experiments were performed to clarify open points in the diffusion behaviour of dopants in these materials.Publication Embargo Effect of fluorine implantation dose on boron transient enhanced diffusion and boron thermal diffusion in Si/sub 1-x/Ge/sub x/(IEEE, 2005-03-21) Mubarek, H.A.W.E; Karunaratne, M. S. A; Bonar, J. M; Dilliway, G. D; Wang, Y.; Hemment, P. L. FThis paper studies how boron transient enhanced diffusion (TED) and boron thermal diffusion in Si/sub 1-x/Ge/sub x/ are influenced by a high-energy fluorine implant at a dose in the range 5 /spl times/ 10/sup 14/ cm/sup -2/ to 1 /spl times/ 10/sup 16/ cm/sup -2/. Secondary ion mass spectroscopy (SIMS) profiles of boron marker layers are presented for different fluorine doses and compared with fluorine SIMS profiles and transmission electron microscopy (TEM) micrographs to establish the conditions under which boron diffusion is suppressed. The SIMS profiles show that boron thermal diffusion is reduced above a critical F/sup +/ dose of 7 - 9 /spl times/ 10/sup 14/ cm/sup -2/, whereas boron TED is suppressed at all doses. Fitting of the measured boron profiles gives suppressions of boron TED diffusion coefficients by factors of 6.8, 10.6, and 12.9 and of boron thermal diffusion coefficient by factors of 1.9, 2.5, and 3.5 for F/sup +/ implantation doses of 9 /spl times/ 10/sup 14/, 1.4 /spl times/ 10/sup 15/, and 2.3 /spl times/ 10/sup 15/ cm/sup -2/ respectively. The reduction of boron thermal diffusion above the critical fluorine dose correlates with the appearance of a shallow fluorine peak on the SIMS profile in the vicinity of the boron marker layer, which is attributed to vacancy-fluorine clusters. This reduction of boron thermal diffusion is explained by the effect of the clusters in suppressing the interstitial concentration in the Si/sub 1-x/Ge/sub x/ layer. The suppression of boron TED correlates with a deep fluorine peak around the range of the fluorine implant and TEM micrographs show that this peak is due to a band of dislocation loops. This suppression of boron TED is explained by the retention of interstitials in the dislocation loops, which suppresses their backflow to the surface. The fluorine SIMS profiles show that the fluorine concentration in the Si/sub 1-x/Ge/sub x/ layer increases with increasing germanium concentration and that the fluorine concentration in the Si/sub 1-x/Ge/sub x/ layer after anneal is much higher than after implant. This indicates that fluorine is transported into the Si/sub 1-x/Ge/sub x/ layer from the adjacent silicon, and is explained by the lower formation energy for vacancies in Ge than in Si. This accumulation of fluorine in the Si/sub 1-x/Ge/sub x/ layer during anneal is advantageous for devices like SiGe heterojunction bipolar transistors, where the boron must be kept within the Si/sub 1-x/Ge/sub x/ layer.Publication Embargo Effect of fluorine implantation dose on boron transient enhanced diffusion and boron thermal diffusion in Si/sub 1-x/Ge/sub x(IEEE, 2005-03-21) Mubarek, HAW El; Bonar, J M; Dilliway, G D; Wang, Y; Hemment, Peter L F; Willoughby, A F; Ashburn, Peter; Karunaratne, M. S. AThis paper studies how boron transient enhanced diffusion (TED) and boron thermal diffusion in Si/sub 1-x/Ge/sub x/ are influenced by a high-energy fluorine implant at a dose in the range 5 /spl times/ 10/sup 14/ cm/sup -2/ to 1 /spl times/ 10/sup 16/ cm/sup -2/. Secondary ion mass spectroscopy (SIMS) profiles of boron marker layers are presented for different fluorine doses and compared with fluorine SIMS profiles and transmission electron microscopy (TEM) micrographs to establish the conditions under which boron diffusion is suppressed. The SIMS profiles show that boron thermal diffusion is reduced above a critical F/sup +/ dose of 7 - 9 /spl times/ 10/sup 14/ cm/sup -2/, whereas boron TED is suppressed at all doses. Fitting of the measured boron profiles gives suppressions of boron TED diffusion coefficients by factors of 6.8, 10.6, and 12.9 and of boron thermal diffusion coefficient by factors of 1.9, 2.5, and 3.5 for F/sup +/ implantation doses of 9 /spl times/ 10/sup 14/, 1.4 /spl times/ 10/sup 15/, and 2.3 /spl times/ 10/sup 15/ cm/sup -2/ respectively. The reduction of boron thermal diffusion above the critical fluorine dose correlates with the appearance of a shallow fluorine peak on the SIMS profile in the vicinity of the boron marker layer, which is attributed to vacancy-fluorine clusters. This reduction of boron thermal diffusion is explained by the effect of the clusters in suppressing the interstitial concentration in the Si/sub 1-x/Ge/sub x/ layer. The suppression of boron TED correlates with a deep fluorine peak around the range of the fluorine implant and TEM micrographs show that this peak is due to a band of dislocation loops. This suppression of boron TED is explained by the retention of interstitials in the dislocation loops, which suppresses their backflow to the surface. The fluorine SIMS profiles show that the fluorine concentration in the Si/sub 1-x/Ge/sub x/ layer increases with increasing germanium concentration and that the fluorine concentration in the Si/sub 1-x/Ge/sub x/ layer after anneal is much higher than after implant. This indicates that fluorine is transported into the Si/sub 1-x/Ge/sub x/ layer from the adjacent silicon, and is explained by the lower formation energy for vacancies in Ge than in Si. This accumulation of fluorine in the Si/sub 1-x/Ge/sub x/ layer during anneal is advantageous for devices like SiGe heterojunction bipolar transistors, where the boron must be kept within the Si/sub 1-x/Ge/sub x/ layer.Publication Embargo Effect of point defect injection on diffusion of boron in silicon and silicon–germanium in the presence of carbon(American Institute of Physics, 2005-06-01) Karunaratne, M. S. A; Willoughby, A F W; Bonar, J M; Zhang, J; Ashburn, PBoron diffusion in Si and strained SiGe with and without C was studied using point defect injection. Interstitial-, vacancy- and noninjection conditions were achieved by annealing Si capping layers which were either bare, with Si3N4 film or with Si3N4+SiO2 bilayers, respectively. Concentration profiles of B, Ge, and C were obtained using secondary-ion-mass spectrometry and diffusion coefficients of B in each type of matrix were extracted by computer simulation. Under inert annealing, we find that C strongly suppresses B diffusion in SiGe:C, but the effect of C is less strong in Si:C, particularly at high temperatures. In contrast, C only weakly suppresses B diffusion in both Si:C and SiGe:C under interstitial injection. For inert anneal conditions, C reduces the B diffusion coefficient in Si:C by factors of 4.2, 5.9, and 1.9 at 940, 1000, and 1050 °C respectively, whereas for interstitial injection the factors are 2.1, 1.3, and 1.1, respectively. The equivalent factors for SiGe:C are 8.4, 5.9, and 8.0 for inert anneal conditions and 2.2, 3.4, and 1.6 for interstitial injection conditions. The degree of B diffusion suppression achieved in both Si:C and SiGe:C is dependent on the level of C retained during annealing. Diffusion of C is shown to be faster in Si:C and hence less C is retained there after annealing than in SiGe:C. Interstitial injection is shown to strongly enhance C diffusion in both Si:C and SiGe:C and hence decreases the effectiveness of C for B diffusion suppression. These findings illustrate that the retarding effect of C on B diffusion in both Si:C and SiGe:C is strongly reduced when the anneal is carried out under conditions where interstitials are injected from the surface.Publication Embargo Modelling the high temperature behaviour of TBCs using sequentially coupled microstructural–mechanical FE analyses(Elsevier, 2009-07-15) Hermosilla, U; Karunaratne, M. S. A; Jones, I. A; Hyde, T. H; Thomson, R. CThermal barrier coatings provide a means of thermal insulation of gas turbine components exposed to elevated temperatures. They undergo severe microstructural changes and material degradation, which have been implemented in this work by means of a sequentially coupled microstructural mechanical calculation that made use of a self-consistent constitutive model within finite element calculations. Analyses for different temperatures and bond coat compositions were run, which reproduced the trends reported in previous research and identified the accumulation of high out-of-plane tensile stresses within the alumina layer as an additional phenomenon that could drive high temperature crack nucleation.Publication Open Access Topologically close packed phases in an experimental rhenium-containing single crystal superalloy(TMS, 2000) Rae, C. M. F; Karunaratne, M. S. A; Small, C. J; Broomfield, R. W; Jones, C. N; Reed, R. CThe kinetics, morphology and composition of the formation of TCP phases in an experimental alloy containing no tungsten is studied. At high temperature P phase forms after 20 h, whereas below 950°C the phases p and R occur. At lower temperatures a polycrystalline form of cr phase is observed which is meta-stable but acts as a nucleation site for the other phases. The phase occurrence and compositions are compared with a thermodynamic model using a rhenium-containing database, and reasonable agreement is found for the P, R and cs phases. However the model underestimates the stability of the p phase.Publication Embargo Interdiffusion of the platinum-group metals in nickel at elevated temperatures(Pergamon, 2003-06-11) Reed, R. C; Karunaratne, M. S. ARates of interdiffusion of the platinum group metals Ir, Pd, Pt, Rh and Ru with nominally pure nickel have been characterised. Interdiffusion coefficients are estimated by analysing the measured diffusion profiles. In the composition range studied (no greater than 10 wt.% of the platinum group metal), the interdiffusion coefficients display little concentration dependence, but the values can differ by an order of magnitude. In order to rationalise the dependence of the interdiffusion coefficient on atomic number, the data are compared with values for other elements which are already in the literature. A systematic trend is observed: elements furthest from the centre of the period display the largest values and elements at the centre the smallest. It appears therefore that the magnitude of the interdiffusion coefficient correlates strongly with the atomic radius of the interdiffusing transition metal species. Our results suggest the existence of a binding energy between the vacancies and the impurity species. We believe that the interdiffusion data are of considerable use to those designing new and novel grades of superalloy for high temperature applications.Publication Embargo Interdiffusion in the face-centred cubic phase of the Ni–Re, Ni–Ta and Ni–W systems between 900 and 1300 C(Elsevier, 2000-04-15) Karunaratne, M. S. A; Carter, P; Reed, R. CIn order to deduce the temperature and composition dependence of the interdiffusion coefficient in the nickel-rich end of the Ni–Re, Ni–Ta and Ni–W systems, a number of diffusion couples have been fabricated and heat treated at temperatures between 900°C and 1300°C. The concentration profiles so-obtained have been determined using an electron microprobe. Subsequently, values of the interdiffusion coefficients were determined using a modified form of the Boltzmann–Matano analysis, and these are presented. Only a very weak concentration dependence of the interdiffusion coefficients was found. The results are compared with the very limited data which are available in the literature.
