A methodology and infrastructure was established for the generation of images of embedded atom atomistic simulation data showing the deformed crystal lattice with one or more superimposed strain invariant fields. These methods were applied to data from simulations of B2 NiAl to study extended dislocation cores and how these cores react to nearby point defects and applied stress. Such images may be viewed as a series of images forming an animation such that a simulated quantity, such as applied stress, is cast into time. Three movies were made doing this. Invariant fields are seen to expand and/or contract before and as they slip depending upon their initial characteristics. Two different interatomic potentials were used to study the relationships between dislocation core structure and mobility for a variety of dislocations. Using the visualization techniques noted above, it was clearly seen that in some cases, the dislocation core transforms to a planar structure before the dislocation glides, whereas in some other cases the core retains the non-planar structure at stresses sufficient to sustain glide. The effects of stoichiometry deviations on the core structure and motion were also studied for two pure edge dislocations. A 2% deviation from stoichiometry affects the shapes of dislocation cores in agreement with the experimental results of high resolution electron microscopy. This deviation was also found to increase Peierls stress. / Master of Science

Uniaxial tension tests on uniform cross section specimens of Ti-6Al-4V and aluminum 7475-T651 show that the stress in the direction of load application determined by x-ray diffraction and the nominal applied stress display the expected linear correspondence up to a maximum stress somewhat below the bulk yield paint. Above this stress, the xray stress is noticeably less than expected. Upon unloading, there is a substantial acquired compressive residual stress. Because the x-ray diffraction measurements provided average stress values in a surface layer of only a few grain diameters, these results suggest that the surface layer of the metal is yielding at a lower stress than the bulk. This anomalous behavior is duplicated qualitatively with a continuum model of an aggregate of soft and hard square grains obeying the Von Mises yield criterion. The effect is purely mechanical. No material effects, such as lower yield point or dislocation density for the surface grains, are invoked. The continuum effect decreases rapidly with depth, becoming negligible for depths exceeding 2-3 grain or domain diameters. Further work is required to refine the model for real systems and to assess the importance of material effects acting in conjunction with the continuum effect. / Master of Science

A systematic study of the core structures of (100), (110), and (111) dislocations in B2 NiAI has been conducted using atomistic simulations with an embedded atom method (EAM) potential. New flexible boundary conditions and a new method of graphic representation of dislocation core structure have been employed. The main findings are the following: Core structures: There are no planar core structures of the dislocations found in B2 NiAl. The core spreading of (100) dislocations in NiAl can occur along a variety of planes depending on dislocation slip plane and line orientation. Discrete lattice effects reduced the high strain levels from anisotropic elasticity solution at the dislocation core considerably and resulted in asymmetrical core structures. The core structure of the (110) dislocations is mutilayered with spreading on the {110} plane. The extent of the same strain level comparing with (100) and (111) dislocations is much larger. The complete (111) dislocations in NiAl are also highly non-planar and are stable with respect to splitting into exact 1/2(111) partials as well as to alternative splittings that correspond to the stable fault in the vicinity of the antiphase boundary (APB), in both {110} and {112} planes. Peierls stresses: Peierls stresses of the dislocations have been calculated and have been compared for their relative ease of motion. Local disordering effects: The local disordering effects on the core structure are found to be significant only in the immediate vicinity of the point defect. Compositional deviation from stoichiometry: The simulation results of (100), (110), and (111)dislocations in off stoichiometric NiAl show that the core structures became more extended than the ones in the stoichiometric NiAl. The core structures are not only dependent on the overall composition but also on their local atomic arrangement near the core region. When compositional deviation from stoichiometry is introduced, the response to the applied stress is different for the various slip systems. The Peierls stresses for the usually easiest moving (100){110} dislocations increased and for the (100){100} dislocations decreased, and the latter are expected to be more active in the deformation processes. The practical implications of these results are that it seems very difficult to modify the alloy behaviors through local changes in stoichiometry and ordering state. The best way to improve the ductility of B2 NiAl is to stabilize (111) slip through the addition of alloying elements that can lower the APB energy. / Ph. D.

The spallation of aluminum, chromium, and iron oxide scales is a chronic problem that critically impacts technological applications like aerospace, power plant operation, catalysis, petrochemical industry, and the fabrication of composite materials. The presence of interfacial impurities, mainly sulfur, has been reported to accelerate spallation, thereby promoting the high-temperature corrosion of metals and alloys. The precise mechanism for sulfur-induced destruction of oxides, however, is ambiguous. The objective of the present research is to elucidate the microscopic mechanism for the high-temperature corrosion of aluminum alloys in the presence of sulfur. Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and scanning tunneling microscopy (STM) studies were conducted under ultrahigh vacuum (UHV) conditions on oxidized sulfur-free and sulfur-modified Al/Fe and Ni3Al(111). Evaporative deposition of aluminum onto a sulfur-covered iron surface results in the insertion of aluminum between the sulfur adlayer and the substrate, producing an Fe-Al-S interface. Aluminum oxidation at 300 K is retarded in the presence of sulfur. Oxide destabilization, and the formation of metallic aluminum are observed at temperatures > 600 K when sulfur is located at the Al2O3-Fe interface, while the sulfur-free interface is stable up to 900 K. In contrast, the thermal stability (up to at least 1100 K) of the Al2O3 formed on an Ni3Al(111) surface is unaffected by sulfur. Sulfur remains at the oxide-Ni3Al(111) interface after oxidation at 300 K. During annealing, aluminum segregation to the g ¢ -Al2O3-Ni3Al(111) interface occurs, coincident with the removal of sulfur from the interfacial region. A comparison of the results observed for the Al2O3/Fe and Al2O3/Ni3Al systems indicates that the high-temperature stability of Al2O3 films on aluminum alloys is connected with the concentration of aluminum in the alloy.

Aluminum alloys are widely used materials in the aircraft industry due to their high specific strength and durability. The natural corrosion resistance of aluminum can be improved through an electrochemical anodizing process. Due to recent restrictions in the use of chromic acid with toxic hexavalent chromium as electrolyte, the industry has shifted towards the use of the functional comparable tartaric sulfuric acid (TSA). TSA anodizing provides a porous alumina layer with good corrosion resistance, yet there is a desire to tune the process to fit other purposes. For instance, ice accretion to aircraft surfaces implies a safety risk and reduced energy efficiency. Due to insufficient active anti-icing systems, aircraft manufacturers are in the search for passive anti-acing materials. The ice adhesion properties of a material are thought to be affected by wettability. In turn, the wettability is affected by the morphology of the alumina influenced by the anodizing conditions. Herein, the effects of the anodizing voltage, electrolyte temperature and anodizing time on the morphology and wettability of TSA-anodized aluminum alloy 2024-T3 were studied by scanning electron microscopy (SEM) and contact angle (CA) measurements. The morphology in relation to wettability and ice adhesion strength as well as the use of posttreatments such as hydrothermal sealing and silanization was investigated. SEM images show a clear influence by the anodizing conditions on the porosity, interpore distance and pore diameter of the porous alumina. The morphology has influence on the wettability although the relationship needs further investigation. A superhydrophobic surface obtained by silanization of a surface anodized at high voltage characterized by a rod-like morphology has potential as a passive anti-icing surface. Future work may include additional polishing pretreatments, testing of additional parameters, investigating the CA hysteresis and roll-off angle as well as measuring the adhesion strength of high-impact ice. By tuning the morphology of sustainable anodic coatings, the research area is one step closer to implementing passive anti-icing materials in aircrafts.

Tendo em conta os constantes problemas que apresentasse com os processos de corrosão, o presente trabalho de pesquisa tem como foco principal a alteração nas propriedades de superfície das ligas de alumínio empregadas nas aeronaves, AA2024 e AA7075, utilizando mono e bicamadas baseadas de octadecil-trimetóxi-silano (ODTMS) + poli(anilina-co-3-aminobenzoico/PAni3ABA) a fim de encontrar melhores condições para a redução da corrosão puntiformes. Posteriormente, avalia-se as características protetoras dos filmes através de testes de corrosão, como potencial de circuito aberto, curvas de polarização anódica e espectroscopia de impedância eletroquímica visando a caracterização do comportamento eletroquímico das amostras. Também foram realizadas análises de microscopia óptica para verificar a eficiência de proteção contra a corrosão dos revestimentos propostos antes e após os ensaios de corrosão. Os resultados obtidos demonstram que as camadas utilizadas melhoram a resistência contra a corrosão na seguinte ordem: PAni3ABA > ODTMS + PAni3ABA > ODTMS, sendo a primeira a que apresentou os melhores resultados como maiores deslocamentos do Ecorr para valores mais positivos, diminuição da icorr e menor número de pontos de corrosão após a realização das curvas de polarização. Além de testes de aderência para os filmes também foram efetuadas caracterizações das ligas por MEV. / Taking into account the constant problems that presents with corrosion processes, this research work has focused primarily on the change in surface properties of aluminum alloys used in aircraft, AA2024 and AA7075, with mono and bilayers using as a base octadecyl trimethoxy silane (ODTMS) + poly (aniline-co-3-aminobenzoic / PAni3ABA) to find optimum conditions for reducing corrosion punctiform. Later, it evaluates the protective features of the films through corrosion tests such as open circuit potential, anodic polarization curves and electrochemical impedance spectroscopy in order to characterize the electrochemical behavior of the samples. They were also carried out optical microscopy analysis to verify the efficiency of protection against corrosion of the coatings proposed before and after corrosion testing. The results obtained show that the layers used improve corrosion resistance in the following order: PAni3ABA> ODTMS + PAni3ABA> ODTMS, the first being the one that presented the best results as larger shifts towards more positive values, reduced and fewer corrosion points after performing the polarization curves. In addition to compliance tests for the films were also made characterizations of alloys by SEM.

O desenvolvimento de novos revestimentos ou métodos de proteção considerados ambientalmente amigáveis é extremamente importante para a substituição das eficientes camadas de conversão do cromo, as quais são amplamente utilizadas para proteção anticorrosiva do alumínio e suas ligas. Entre as alternativas relatadas na literatura, podemos destacar a aplicação de filmes de polianilina (PAni) e o uso de camadas de conversão de cério. Neste trabalho é proposta a utilização de revestimentos do tipo bicamadas formada pela combinação de: 1) duas camadas de polianilina ou 2) camadas de conversão de cério (depositadas pelo método electroless ou catodicamente) e filmes de PAni para proteção contra a corrosão das ligas de alumínio AA7075-T6 e AA8006-F em meio aquoso contendo íons cloreto. Nos ensaios de corrosão foram utilizados o monitoramento do potencial de circuito aberto e a polarização potenciodinâmica em meio de NaCl 0,6 mol L-1. A superfície das ligas com e sem os recobrimentos foram analisadas por microscopia óptica e microscopia eletrônica de varredura. Também foi realizado o teste de aderência dos filmes de PAni presentes nas bicamadas sobre as ligas estudadas. O revestimento bicamada composto por uma camada de filme de PAni quimicamente depositada e um filme casting de PAni apresenta excelente aderência sobre as ligas AA7075-T6 e AA8006-F e combina a proteção oferecida pelos filmes casting com a boa aderência dos filmes de PAni depositados quimicamente. O uso da bicamada de cerato electroless e PAni apresenta propriedades anticorrosivas inferiores quando comparadas ao filme de PAni aplicado diretamente sobre o substrato metálico, entretanto, o uso de cerato electroless melhora a aderência dos filmes casting de PAni sobre as ligas estudas. O uso de bicamadas formadas por cerato depositado catodicamente e PAni sobre a liga AA8006-F apresenta valores de potencial de corrosão e potencial de pite inferiores ao do filme casting de PAni aplicado diretamente sobre o substrato metálico, enquanto que para a liga AA7075-T6 foram obtidas melhores propriedades anticorrosivas quando utilizada uma camada de cerato espessa (obtida utilizando uma solução de cério contendo 8 ou 25 µL mL-1 de H2O2). / The development of new coatings or protection methods considered environmentally friendly is extremely important to replace the efficient conversion layers of chromium, which are widely used for corrosion protection of aluminum and its alloys. Among the alternative methods reported in the literature, it can be highlighted the application of polyaniline (PAni) films and the use of cerium conversion layers. This work proposes the use of bi-layers based on: 1) two layers of polyanilines or 2) combination cerium conversion layers (deposited by electroless or cathodic electrodeposition) and PAni films for corrosion protection of AA7075-T6 and AA8006-F alloys in aqueous solutions containing chloride ions. Open circuit potential and potentiodynamic polarization curves were used for the corrosion tests, which were performed in 0.6 mol L-1 NaCl solution. The surface of the alloys with and without the coatings were characterized by optical microscopy and scanning electronic microscopy. It was also performed the adhesion test of the PAni films present in the bi-layers on the studied alloys. The bi-layers formed by a layer of PAni chemically deposited and a layer of PAni film exhibited excellent adhesion to the AA7075-T6 and AA8006-F alloys and combined the protection offered by the cast film of PAni with the good adhesion of PAni chemically deposited. The use of a bi-layer formed by cerium oxides (deposited by electroless) with PAni film as coating presented lower anticorrosive properties compared to the PAni films applied directly on the substrate, however, the use of the cerium layer improves the adhesion of the PAni films on the alloys. The use of bi-layers formed by electrodeposited cerium oxides and PAni films on AA8006-F showed corrosion potential and pitting potential lower when compared with the PAni film directly applied on the substrate, whereas for AA7075-T6, the best anticorrosive properties was obtained using a thick cerium layer (cerium solution containing 8 or 25 µL mL-1 of H2O2).

Os materiais magnetostrictivos apresentam deformação elástica quando são submetidos a um campo magnético ou mudança das propriedades magnéticas quando são submetidos a uma tensão mecânica, e por isso são de grande interesse para aplicações em atuadores, sensores e aproveitadores de energia. Entretanto, os melhores materiais magnetostrictivos disponíveis são caros e frágeis. Nos últimos anos foi descoberta uma nova classe de materiais magnetostrictivos que superam este problema, a classe das ligas Fe-Ga e Fe-Al, que possuem a rara combinação de moderada magnetostricção, boas propriedades mecânicas e baixo custo associado. Atualmente, as pesquisas têm buscado meios de melhorar a magnetostricção destas ligas, tanto por adições ternárias de outros átomos, como pela utilização de diferentes métodos de fabricação, tratamentos térmicos ou processamentos mecânicos. No presente trabalho foi avaliado o efeito das adições de B e do processo de solidificação rápida na magnetostricção e microestrutura das ligas Fe-Al e Fe-Ga. Para isso, ligas policristalinas de composição nominal (Fe80Al20)1-0,01yBy, (Fe80Ga20)1-0,01yBy e (Fe72Ga28)1-0,01yBy, com y = 0; 0,5; 1; 1,5 e 2% at., foram produzidas por fusão a arco e pela técnica de solidificação rápida \"splat cooling\". A caracterização microestrutural das amostras foi realizada no MEV/EDS e DRX. A magnetostricção foi medida com campo magnético de 0 a ±2 T em 4,2, 77 e 300 K, por dilatometria de capacitância. As adições de B ocasionaram a precipitação de Fe2B nos contornos de grão da fase A2 e/ou D03 das ligas Fe-Al e Fe-Ga, resultando na redução do tamanho de grão e formação de cristais dendríticos. As ligas Fe80Al20 apresentaram um valor máximo de magnetostricção de 74 ppm com a adição de 2% at. de B. Já as ligas Fe80Ga20 e Fe72Ga28 apresentaram um máximo com a adição de 1% at. de B, sendo de 81 ppm e 143 ppm, respectivamente. Conclui-se que estas adições de B tiveram um efeito benéfico na magnetostricção das ligas Fe-Al e Fe-Ga como-solidificadas, uma vez que chegaram a ocasionar um aumento de até 100% desta propriedade em relação à liga sem B. Por outro lado, a solidificação rápida não teve efeito sobre a magnetostricção das ligas Fe-Al-B. / Magnetostrictive materials exhibit elastic deformation when subjected to a magnetic field or changing in magnetic properties when subjected to mechanical stress, so they are of great interest for applications in actuators, sensors and energy harvesters. However, the best available magnetostrictive materials are expensive and fragile. In the last years has been discovered a new class of magnetostrictive material which overcome this problem, the class of the Fe-Ga and Fe-Al alloys, which have the unusual combination of moderate magnetostriction, good mechanical properties and low associated cost. Currently, research has searched ways to improve the magnetostriction of these alloys, both for ternary additions of other atoms or by using different methods of preparation, heat treatment or mechanical processing. In the present study, we evaluated the effect of B additions and rapid solidification process on the microstructure and magnetostriction of Fe- Al and Fe-Ga alloys. For this purpose, polycrystalline alloys of nominal composition (Fe80Al20)1-0.01yBy, (Fe80Ga20)1-0.01yBy and (Fe72Ga28)1-0.01yBy, with y = 0, 0.5, 1, 1.5 e 2 at.% were produced by arc melting and splat cooling rapid solidification technique. Microstructural characterization of the samples was performed by SEM/EDS and XRD. The magnetostriction was measured under magnetic field of 0 to ±2 T, at 4.2, 77 and 300 K, by capacitance dilatometry. The B additions caused precipitation of Fe2B at the grain boundaries of A2 and/or D03 phase of Fe-Al and Fe-Ga alloys, resulting in a reduction of the grain size and formation of dendritic crystals. The Fe80Al20 alloys showed a maximum magnetostriction of 74 ppm with the addition of 2 at.% B. And, the Fe80Ga20 and Fe72Ga28 alloys showed a peak with the addition of 1 at.% B, of 81 ppm and 143 ppm, respectively. We concluded that these B additions had a beneficial effect on the magnetostriction of Fe- Al and Fe-Ga as-cast alloys, since they caused an increase up to 100% of this property in relation to the alloy without B. On the other hand, the rapid solidification had no the same effect on the magnetostriction of Fe-Al-B alloys.

"This research investigated the relationship between T5 heat treatment and elongation in thixocast and rheocast SSM components as a means to reduce the energy, time, and cost associated with T6 treatments while still producing improved properties over the as-cast condition. Temperature and time were varied as a part of work to optimize aging conditions for SSM materials. Both conventional furnace and fluidized bed heat treatments were employed. Tensile bars were fabricated from the heat treated A356 components and were pulled. Extensive SEM and stereo microscopy were performed to examine the factors which produced favorable results in the T5 condition. Data generated for T6 and as-cast components were also collected for purposes of comparison. Quality index calculations were employed to help evaluate the results. Optimized procedures and aging parameters have been presented"

Thesis: Ph. D., Massachusetts Institute of Technology. Department of Materials Science and Engineering, 1975. / Vita. / Includes bibliographical references. / The discrepancy between two recent phase diagram determinations of the Fe-Al system is resolved experimentally. Both diagrams are correct, but-one is a metastable coherent phase diagram. The iron-aluminum system possesses a tricritical point where a line of [lambda]- transitions ends at a miscibility gap at about 23 atom percent aluminum and 615°C. Rules of general applicability governing phase separation within the miscibility gap are developed. Application of the rules to the iron-aluminum system results in detailed predictions about the mechanisms of decomposition and their sequences in this system. Electron microscopy is used to study the reactions experimentally and the results are in agreement with theoretical predictions. / by Samuel Miller Allen. / Ph. D.