An Integrated Approach to Determine Phenomenological Equations in Metallic Systems

It is highly desirable to be able to make predictions of properties in metallic materials based upon the composition of the material and the microstructure. Unfortunately, the complexity of real, multi-component, multi-phase engineering alloys makes the provision of constituent-based (i.e., composition or microstructure) phenomenological equations extremely difficult. Due to these difficulties, qualitative predictions are frequently used to study the influence of microstructure or composition on the properties. Neural networks were used as a tool to get a quantitative model from a database. However, the developed model is not a phenomenological model. In this study, a new method based upon the integration of three separate modeling approaches, specifically artificial neural networks, genetic algorithms, and monte carlo was proposed. These three methods, when coupled in the manner described in this study, allows for the extraction of phenomenological equations with a concurrent analysis of uncertainty. This approach has been applied to a multi-component, multi-phase microstructure exhibiting phases with varying spatial and morphological distributions. Specifically, this approach has been applied to derive a phenomenological equation for the prediction of yield strength in a+b processed Ti-6-4. The equation is consistent with not only the current dataset but also, where available, the limited information regarding certain parameters such as intrinsic yield strength of pure hexagonal close-packed alpha titanium

Determination of the five parameter grain boundary character distribution of nanocrystalline alpha-zirconium thin films using transmission electron microscopy

Grain boundary engineering and other fundamental materials science problems (e.g., phase transformations and physical properties) require an improvement in the understanding of the type and population of grain boundaries in a given system – yet, databases are limited in number and spare in detail, including for hcp crystals such as zirconium. One way to rapidly obtain databases to analyze is to use small-grained materials and high spatial resolution orientation microscopy techniques, such as ASTAR™/precession electron diffraction. To demonstrate this, a study of grain boundary character distributions was conducted for α-zirconium deposited at room temperature on fused silica substrates using physical vapor deposition. The orientation maps of the nanocrystalline thin films were acquired by the ASTAR™/precession electron diffraction technique, a new transmission electron microscope based orientation microscopy method. The reconstructed grain boundaries were classified as pure tilt, pure twist, 180°-twist and 180°-tilt grain boundaries based on the distribution of grain boundary planes with respect to the angle/axis of misorientation associated with grain boundaries. The results of the current study were compared to the results of a similar study on α-titanium and the molecular dynamics results of grain boundary energy for α-titanium

A Constitutive Equation Relating Composition and Microstructure to Properties in Ti-6Al-4V: As Derived Using a Novel Integrated Computational Approach

While it is useful to predict properties in metallic materials based upon the composition and microstructure, the complexity of real, multi-component, and multi-phase engineering alloys presents difficulties when attempting to determine constituent-based phenomenological equations. This paper applies an approach based upon the integration of three separate modeling approaches, specifically artificial neural networks, genetic algorithms, and Monte Carlo simulations to determine a mechanism-based equation for the yield strength of α+βprocessed Ti-6Al-4V (all compositions in weight percent) which consists of a complex multi-phase microstructure with varying spatial and morphological distributions of the key microstructural features. Notably, this is an industrially important alloy yet an alloy for which such an equation does not exist in the published literature. The equation ultimately derived in this work not only can accurately describe the properties of the current dataset but also is consistent with the limited and dissociated information available in the literature regarding certain parameters such as intrinsic yield strength of pure hexagonal close-packed alpha titanium. In addition, this equation suggests new interesting opportunities for controlling yield strength by controlling the relative intrinsic strengths of the two phases through solid solution strengthening

Characterizing the nano-structure and defect structure of nano-scaled non-ferrous structural alloys

The presence and interaction of nanotwins, geometrically necessary dislocations, and grain boundaries play a key role in the mechanical properties of nanostructured crystalline materials. Therefore, it is vital to determine the orientation, width and distance of nanotwins, the angle and axis of grain boundary misorientations as well as the type and the distributions of dislocations in an automatic and statistically meaningful fashion in a relatively large area. In this paper, such details are provided using a transmission electron microscope-based orientation microscopy technique called ASTAR™/precession electron diffraction. The remarkable spatial resolution of this technique (~ 2 nm) enables highly detailed characterization of nanotwins, grain boundaries and the configuration of dislocations. This orientation microscopy technique provides the raw data required for the determination of these parameters. The procedures to post-process the ASTAR™/PED datasets in order to obtain the important (and currently largely hidden) details of nanotwins as well as quantifications of dislocation density distributions are described in this study

On the eutectoid transformation behavior of the Ti-Zn system and its metastable phases

To date, Zn has not been used as an alloying addition in structural Ti alloys. The main obstacle has been the disparity between their melting and vaporization temperatures. A novel processing technique was developed to create a Ti-Zn compound. The equilibrium phases and microstructures were studied by electron microscopy and x-ray diffraction techniques. Results show the presence of pearlitic domains of α-Ti (hexagonal closed packed crystal structure) and Ti2Zn (body center tetragonal structure) in regions that have a near eutectoid composition. Solutionizing and water quenching results in the formation of martensite along with intermetallic laths, suggesting that the eutectoid transformation is active

Oxidation behavior and microstructural evolution of Ti-6Al-4V and Ti-6Al-4V-1B sheet

A direct comparison between the oxidation behavior of Ti-6Al-4V and Ti-6Al-4V + 1B has been conducted to elucidate whether the addition of boron to Ti-6Al-4V impacts the oxidation behavior. Industrially prepared sheet of Ti-6Al-4V and Ti-6Al-4V + 1B were oxidized at temperatures between 650 and 950 °C for holding times of 25 and 50 h. Weight-gain measurements and characterization of surface and near-surface microstructures showed that the addition of 1 wt% B increased the material’s oxidation resistance. Additionally, the ingress of oxygen tends to decrease the solubility of other alloying species in α-Ti and leads to the formation of a distinctive and atypical microstructure with a distinct morphology

Oxidation behavior and microstructural evolution of Ti-6Al-4V and Ti-6Al-4V-1B sheet

A direct comparison between the oxidation behavior of Ti-6Al-4V and Ti-6Al-4V + 1B has been conducted to elucidate whether the addition of boron to Ti-6Al-4V impacts the oxidation behavior. Industrially prepared sheet of Ti-6Al-4V and Ti-6Al-4V + 1B were oxidized at temperatures between 650 and 950 °C for holding times of 25 and 50 h. Weight-gain measurements and characterization of surface and near-surface microstructures showed that the addition of 1 wt% B increased the material’s oxidation resistance. Additionally, the ingress of oxygen tends to decrease the solubility of other alloying species in α-Ti and leads to the formation of a distinctive and atypical microstructure with a distinct morphology