Made available in DSpace on 2014-10-09T12:50:10Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:02:01Z (GMT). No. of bitstreams: 1 10557.pdf: 8187927 bytes, checksum: d75a44c7b8aac58fb39836dd7d91e5d8 (MD5) / Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) / Dissertacao (Mestrado) / IPEN/D / Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP / FAPESP:03/10049-5

Due to recent legislation aimed at reducing carbon emissions into the environment through weight reduction, the automotive and aerospace industries are using light alloys such as aluminium silicon (Al–Si) and aluminium zirconium (Al–Zr) instead of steel due to their excellent mechanical properties and low weight to strength ratio. In order to further improve mechanical and metallurgical properties in these alloys, grain refinement is usually used in industry. However, the current and most widely used grain refiner Al–5Ti–B is unable to refine Al–Si alloys with silicon content greater than 3 wt.%., and Al–Zr alloys due to poisoning of the refiner by silicon and zirconium. The Al–5Ti–B refiner also contains larger Al3Ti particles and agglomerates of TiB2 which affect its efficiency and suitability in industrial applications where thin sheets are required. In this study, a new technique which improves the microstructure and efficiency of the Al–5Ti–B refiner has been developed. This involves the reaction of potassium tetrafluoroborate (KBF4) and potassium hexafluorotitanate (K2TiF6) salts at shorter reaction time before ultrasonic processing during solidification. This leads to the formation of a new Al3Ti morphology and de-agglomeration of TiB2 particles which enhances its grain refinement efficiency by 20%. Secondly, through phase diagram analysis of Al grain refining systems and crystallography studies, it was observed that Al3Ti and Al3Nb display similar lattice parameters with atomic misfit of 4.2% and would undergo a peritectic reaction with α-Al at low contact angles. Based on this, and using the duplex nucleation theory and poisoning by Si and Zr, a new quaternary grain refiner containing aluminium, titanium, niobium and boron (Al–4Ti–Nb–B) has been developed. This novel grain refiner has been found to be efficient in Al–Si alloys and Al–Zr, both at laboratory and industrial scales, and to improve the mechanical properties of the alloys despite the presence of Ti in the alloy. It was observed that the addition of Nb to an Al–Ti–B system leads to the formation of solid solution phases of Al3Ti1-xNbx, Al3Nb1-xTx, and (Ti1-xNbx)B2 which prevents poisoning by Si and Zr. Experimental simulations showed that Al3Nb1-xSix rather than Ti(Al1-xSix)3 are formed in Al–Si alloys, and Al3(Ti1-xNbx) and (Al3Ti1-xNbx)B2 phases are formed in Al–Zr alloys rather than Al3(Zrx,Ti1-x), B2(Zrx,Ti1-x) or ZrB2 phases. A new grain refining mechanism, ‘The Quad Nucleation Theory’ based on four nucleation events in Al–4Ti–Nb–B has been proposed. Other newly developed quaternary and ternary novel grain refiners capable of refining aluminium silicon alloys are also presented in this thesis. This includes a novel method of refining Al–Si alloys using phosphorus and niobium.

Made available in DSpace on 2014-10-09T12:52:04Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T13:58:08Z (GMT). No. of bitstreams: 0 / Nesse trabalho estudou-se a influência da adição de 0,5 % at. de zircônio (Zr) e gálio (Ga) nos ímãs permanentes à base de praseodímio (Pr) HD sinterizados obtidos por uma mistura de ligas. As ligas utilizadas foram: Pr12,6Fe68,3Co11,6B6Zr0,5Ga1, Pr16Fe75,5B8Zr0,5 e Pr13Fe80,5B6Zr0,5. A investigação foi realizada a partir das medidas das propriedades magnéticas e da microestrutura. Inicialmente, compararam-se as fases das ligas com as fases obtidas nos ímãs sinterizados. Posteriormente, os ímãs foram submetidos a um ciclo de tratamento térmico (de duas horas a 1000º C com resfriamento rápido até 10 horas, em seguida, de cinco horas nas mesmas condições, até 35 horas). Para o entendimento do papel de cada aditivo na fase magneticamente dura (fase Φ), foram analisadas as mudanças na microestrutura e relacionadas com as mudanças nas propriedades magnéticas. O Ga e Zr atuam como refinadores da fase Φ (matriz). O Ga atua no grão da fase Φ possibilitando a estabilidade da sua forma e melhorias das propriedades magnéticas. Para o ímã Pr14,3Fe71,9Co5,8B7Zr0,5Ga0,5 a evolução das propriedades magnéticas, após 15 h de tratamento térmico, foi: remanência de (1,25±0,02) T para (1,30±0,02) T, coercividade intrínseca de (1,11±0,02) T para (0,87±0,02) T, fator de quadratura de (0,68±0,02) para (0,89±0,02) e produto de energia de (285±5) kJ/m3 para (317±5) kJ/m3. O Zr tem uma atuação dual. Inibe o crescimento desordenado do grão e aumenta a anisotropia, mas, ao alojar-se no contorno de grão, gera domínios reversos prejudicando a coercividade intrínseca. Para o ímã Pr14.5Fe78B7Zr0.5 a evolução das propriedades magnéticas, após 15 h de tratamento térmico, foi: remanência (1,19±0,02) T para (1,25±0,02) T, coercividade de (0,74±0,02) T para (0,94±0,02) T, fator de quadratura de (0,88±0,02) para (0,85±0,02) e produto de energia (258±5) kJ/m para (291±5) kJ/m. Para o ímã Pr3316Fe75.5B8Zr0.5 a evolução das propriedades magnéticas, após 20 h de tratamento térmico, foi: remanência (1,17±0,02) T para (1,24±0,02) T, coercividade de (0,90±0,02) T para (1,22±0,02) T, fator de quadratura de (0,93±0,02) para (0,66±0,02) e produto de energia (258±5) kJ/m3 para (272±5) kJ/m3. / Dissertação (Mestrado) / IPEN/D / Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP

Made available in DSpace on 2014-10-09T12:50:10Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:02:01Z (GMT). No. of bitstreams: 1 10557.pdf: 8187927 bytes, checksum: d75a44c7b8aac58fb39836dd7d91e5d8 (MD5) / Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) / Dissertacao (Mestrado) / IPEN/D / Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP / FAPESP:03/10049-5

Thesis (M.Sc. (Physics)) -- University of Limpopo, 2021 / The ab initio density functional theory and molecular dynamics approach have been used to study the properties of Zr-based systems. In particular Zr-Nb, Zr-Nb-X (X = Co and Sn). We have calculated the structural, elastic, mechanical properties and temperature dependence particularly to determine their stabilities. These alloys are important for a wide range of technological applications, primarily in the nuclear and chemical industries due to their good irradiation stability, wear and corrosion resistance, high mechanical strength and superior neutron economy. The virtual crystal approximation was used to introduce small amounts of either Co or Sn contents on Zr-Nb system. The main idea is to advance high-temperature applications of Zr-Nb system through ternary alloying. Calculations were carried out using the ab initio DFT employing the plane-wave pseudopotential method as implemented within the CASTEP code. The influence of partial substitution for Nb concentration with either Co or Sn concentrations was investigated on the Zr-Nb-X systems of various concentrations. The resulting equilibrium lattice parameters, heats of formation, elastic properties, and the density of states were evaluated to mimic their structural, thermodynamic and mechanical stability trends. The lattice parameters of binary systems Zr99Nb1.0, Zr98.8Nb1.2, Zr98.1Nb1.9, Zr97.5Nb2.5, Zr97Nb3, Zr78Nb22, Zr78Nb22 and Zr50Nb50 gave better agreement with available experimental data to within 5 %, while those for ternary systems have shown a decrease with the introduction of the third element i.e. Co or Sn. The heats of formation were negative (stable) at smaller concentrations of ≤ 1 at. % Co. Moreover, the correlation of electronic stability using the DOS and the ∆Hf calculations has indicated that the systems are thermodynamically stable within ≤ 1 at. % Co for (Zr99Nb1-xCox, Zr98.8Nb1.2-xCox, Zr98.1Nb1.9Cox, Zr97.5Nb1.5-xCox, Zr97Nb3- xCox and Zr78Nb22-xCox) systems. It was found that the increase in Co concentration enhances the thermodynamic, elastic and mechanical stability of the systems and they are found to be stable at small concentrations of about 1 at. % Co. Furthermore, the temperature dependence was carried out using Dmol3 . In particular, the canonical ensemble (NVT) calculations were carried out at different temperatures and we observed their structural behaviour with regard to the binding energy and elastic properties at any given temperature up to 2400 K. We compare the temperature dependence of Zr, Zr50Nb50, Zr78Nb22, Zr78Nb21Co1, Zr78Nb20Co2, Zr78Nb19Co3, Zr50Nb49Sn1, Zr50Nb48Sn2 and Zr50Nb47Sn3 systems. In the case of binary system, the Zr78Nb22 was more promising, showing lower binding energy of - 6.87eV/atom. It was shown that ternary additions with small atomic percentages of Co and Sn have a significant impact on Zr-Nb alloy. Particularly, their elastic properties showed a possible enhancement on the strength and ductility at high temperature. This was observed for 1 at. % since it satisfied the requirements for ductility and strength as specified in literature. The Co and Sn addition on the Zr78Nb22 system is more promising for high-temperature applications, with Sn being more preferable. / National Research Foundation (NRF) and Titanium Centre of Competence (TiCoC)

Thesis (Nucl.E.)--Massachusetts Institute of Technology, Dept. of Nuclear Engineering, 1981. / MICROFICHE COPY AVAILABLE IN ARCHIVES AND SCIENCE. / Includes bibliographical references. / by El-Khider Si Ahmed. / Nucl.E.

No description available.

Among Al alloys, 2219 Al alloy possesses highest strength at elevated temperatures. However, the application of this alloy is also restricted to a maximum temperature of 150°C, above which, the strengthening precipitates coarsen rapidly resulting in a steep loss in strength. In the present investigation, an attempt has been made to improve the elevated as well as the room temperature properties of commercial 2219 alloy by the addition of small amounts of Sc & Mg, Sc & Zr, and Nb & Zr, and these are designated as 2219ScMg, 2219ScZr and 2219NbZr alloys, respectively. All the three alloys were cast in the form of strips in a water cooled copper mould using suction casting technique with a cooling rate of 102 to 103 K/s. The as-cast strips of 2219ScMg alloys were naturally aged and cold rolled by following three different routes (a) cold rolling, (b) homogenization and cold rolling and (c) hot rolling and cold rolling. A significant improvement in strength has been achieved by all the three wrought processing routes with greater than 140 MPa increase in 0.2% proof stress at room temperature and greater than 110 MPa increase in 0.2% proof stress at 200°C as compared to 2219-T851 alloy having 0.2% proof stress of 345 MPa at room temperature and 205 MPa at 200°C. Hardness values, measured at room temperature after exposure at 200°C, remain stable up to 1000 h. Microstructural analysis of 2219ScMg alloy reveals that Al3Sc or Al3(Sc,Zr) dispersoids form during casting and GP zones form on {100} and {111} plane during natural ageing. Subsequently, rolling introduces higher dislocation densities in the matrix. All these microstructural features contribute to the improvement of the room temperature strength of the alloy. On exposure at 200°C, GP zones transform to mainly θ′ and a few Ω precipitates. A finer, homogeneous distribution of θ′ and Ωprecipitates yields higher strength. Sc and Mg atoms are segregated at the θ′/matrix interface, which gives rise to slower growth kinetics of θ′ precipitates. As a result, the alloy exhibits better thermal stability at 200°C. For 2219ScZr and 2219NbZr alloys, the processing of the cast strip involves a two stage ageing procedure. This includes first stage ageing at 375°C for 2219ScZr alloy and at 400°C for 2219NbZr alloy. This is followed by solution treatment at 535°C for 30 minutes and second stage ageing at 200°C for both the alloys. For 2219ScZr alloy, tensile tests performed at room temperature, 200°C and 250°C show 0.2% proof stress of 456 ± 22 MPa, 295 ± 20 MPa and 227 ± 2 MPa respectively. The alloy is found to be thermally stable at 200°C. It is found that the addition of Sc and Zr results in the formation of Al3(Sc,Zr) precipitates during ageing at 375°C. These precipitates are fully coherent with the matrix and have a significant precipitation hardening effect. They also stimulate the nucleation of θ′′ and θ′precipitates during ageing at 200°C making them finer, homogeneously distributed and thermally stable. Therefore, the strength of the alloy at ambient and elevated temperature is improved. For 2219NbZr alloy, the tensile tests show that 0.2% proof stress is 409 ± 10 MPa at room temperature and 252 ± 22 MPa at 200°C. Microstructural observations reveal that the increase in strength is mainly due to the high volume fraction of Al3Zr precipitates, which form during ageing at 400°C, and due to the formation of θ′′ and θ′precipitates during ageing at 200°C. It is observed that Al3Zr precipitates facilitate the nucleation of θ′′ and θ′ precipitates making them finer, homogeneously distributed and thermally stable, as in the case of 2219ScZr alloy.

This DPhil project is set in the context of single crystal elasticity-plasticity finite element modelling. Its core objective was to develop and implement a methodology for predicting the evolution of texture in single and dual-phase material systems. This core objective has been successfully achieved. Modelling texture evolution entails essentially modelling large deformations (as accurately as possible) and taking account of the deformation mechanisms that cause texture to change. The most important deformation mechanisms are slip and twinning. Slip has been modelled in this project and care has been taken to explore conditions where it is the dominant deformation mechanism for the materials studied. Modelling slip demands that one also models dislocations since slip is assumed to occur by the movement of dislocations. In this project a model for geometrically necessary dislocations has been developed and validated against experimental measurements. A texture homogenisation technique which relies on interpretation of EBSD data in order to allocate orientation frequencies based on representative area fractions has been developed. This has been coupled with a polycrystal plasticity RVE framework allowing for arbitrarily sized RVEs and corresponding allocation of crystallographic orientation. This has enabled input of experimentally measured initial textures into the CPFE model allowing for comparison of predictions against measured post-deformation textures, with good agreement obtained. The effect of texture on polycrystal physical properties has also been studied. It has been confirmed that texture indeed has a significant role in determining the average physical properties of a polycrystal. The thesis contributes to the following areas of micro-mechanics materials research: (i) 3D small deformation crystal plasticity finite element (CPFE) modelling, (ii) geometrically necessary dislocation modelling, (iii) 3D large deformation CPFE modelling, (iv) texture homogenisation methods, (v) single and dual phase texture evolution modelling, (vi) prediction of polycrystal physical properties, (vii) systematic calibration of the power law for slip based on experimental data, and (viii) texture analysis software development (pole figures and Kearns factors).

A new generation of compact and highly efficient power production and propulsion technologies are critically needed in enabling NASAs long-term goals. Nuclear fission power technologies as part of project Prometheus are in development to meet this need. Proposed reactor concepts utilize a combination of refractory metals and stainless steels. One such refractory alloy, Niobium 1% Zirconium (Nb-1Zr), will be used because of its strength at high temperatures, neutron absorption properties, and resistance to corrosion by liquid alkali metals. One potential problem in using Nb-1Zr is that it undergoes rapid high temperature oxidation, even in low oxygen concentrations. Long-term oxidation of the niobium matrix can significantly deteriorate the mechanical properties of the alloy. This thesis reports on experimental studies of the high temperature interaction of 316 stainless steel (316 SS) and Nb-1Zr under prototypic space fission reactor operating conditions. Specifically, how the high temperature oxidation rate of Nb-1Zr changes when in contact with 316 SS at low external oxygen concentrations. The objective of the project is to determine if transport of gaseous contaminants, such as oxygen, will occur when Nb-1Zr is in contact with 316 SS, thereby increasing the oxidation rate and degrading material properties. Experiments were preformed in a realistic non-nuclear environment at the appropriate operating conditions. Thermal Gravimetric Analysis techniques were used to quantify results. Coupons of Nb-1Zr and Nb-1Zr in contact with 316 SS foil are subjected to flowing argon with oxygen concentrations between 4-15ppm and heated to a temperature of 500, 750, and 1000oC for 2 to 10 hours. Experiments were conducted at the Early Flight Fission Test Facility at NASA Marshall Space Flight Center. The experimental results indicate that a complex oxidation process, which depends greatly on temperature and oxygen concentration, occurs at the expected operating conditions. Non-linear regression techniques were applied to experimental data in order to derive correlations for the approximate oxidation rate of Nb-1Zr and Nb-1Zr in contact with 316 SS as a function of time, temperature, and oxygen concentration.