Material design and development: From classical thermodynamics to CALPHAD and ICME approaches

This paper presents an overview and examples of material design and development using (1) classical thermodynamics; (2) CALPHAD (calculation of phase diagrams) modeling; and (3) Integrated Computational Materials Engineering (ICME) approaches. Although the examples are given in lightweight aluminum and magnesium alloys for structural applications, the fundamental methodology and modeling principles are applicable to all materials and engineering applications. The examples in this paper have demonstrated the effectiveness and limitations of classical thermodynamics in solving specific problems (such as nucleation during solidification and solid-state precipitation in aluminum alloys). Computational thermodynamics and CALPHAD modeling, when combined with critical experimental validation, have been used to guide the selection and design of new magnesium alloys for elevated-temperature applications. The future of material design and development will be based on a holistic ICME approach. However, key challenges exist in many aspects of ICME framework, such as the lack of diffusion/mobility databases for many materials systems, limitation of current microstructural modeling capability and integration tools for simulation codes of different length scales.     

Producing fully-lamellar microstructure for wrought beta-gamma TiAl alloys without single α-phase field

Fine-grained fully-lamellar (FL) microstructure is desired for TiAl components to serve as compressor/turbine blades and turbocharger turbine wheels. This study deals with the process and phase transformation to produce FL microstructure for Mo stabilized beta-gamma TiAl alloys without single α-phase field. Unlike the α + γ two-phased TiAl or beta-gamma TiAl with single α-phase field, the wrought multi-phase TiAl–4/6Nb–2Mo–B/Y alloys exhibit special annealing process to obtain FL microstructure. Short-term annealing at temperatures slightly above β-transus is recommended to produce the desired FL microstructure. The related mechanism is to guarantee the sufficient diffusion homogenization of β stabilizers during single β-phase annealing, and further avoid α decomposition by α → γ + β when cooling through α + β + γ phase field. The colony boundary β phase contributes to fine-grained nearly FL microstructure, by retarding the coarsening of the α phase grains.     

Towards type-selective carbon nanotube growth at low substrate temperature via photo-thermal chemical vapour deposition

Carbon nanotubes have been intensively researched for electronic applications, driven by their excellent electronic properties, where the goals are control and reproducibility of growth, semiconducting/metallic type selectivity and maintaining high quality of carbon nanotubes, in a process that is temperature-compatible with the electronics. Photo-thermal chemical vapour deposition can achieve these goals and, through a thorough investigation of the parameter space, we achieve very high nanotube-quality and growth rates, and produce a phase-diagram that reveals distinct regions for growing semiconducting and metallic single-walled nanotubes, as well as multi-walled. Correlation with the carbon-catalyst phase diagram allows for the development of a novel growth model. We propose that the temperature-gradient induces carbon diffusivity-gradient across the catalyst to yield the high growth rate. This is attributed to the increase of α-iron of catalyst. The growth control demonstrated here allows for integration of the nanotube growth process by photo-thermal deposition into mainstream electronics manufacture.     

Influence of internally dropped-off plies on the impact damage of asymmetrically tapered laminated CFRP

This paper presents an experimental study of low velocity impact response of carbon/epoxy asymmetrically tapered laminates. The tests are realised at energy between 10 and 30 J on two types of layup with multiple terminated plies. The type and localisation of damage are analysed using C-scan and micrographs. Then, the data is compared with the response of corresponding respective plain laminate. The effects of some tapering parameters (taper angle, drop-off disposition and configuration) on the impact damage mechanisms are also investigated. Very similar impact damage phenomena are found between tapered and plain laminates. The presence of material discontinuity due to the resin pocket affects less the damage mechanism than the structural difference between the thick and the thin sections.     

Intrinsic dielectric behavior of Mg2TiO4 spinel ceramic

In the work, we focused on the intrinsic dielectric behavior of Mg₂TiO₄ spinel ceramic by P–V–L theory and infrared spectra analysis. Ti–O bonds have larger bond ionicity values, thus playing an important role in dielectric polarization. The theoretical dielectric constant was predicted by calculating the bond susceptibility of each chemical bond. Furthermore, Ti(1)–O bonds are responsible for the structural stability of Mg₂TiO₄ ceramic. Based on classical dispersion theory, permittivity and loss corresponding to each infrared active mode were quantified, and then the crucial contribution of low-frequency modes to intrinsic dielectric properties were determined.     

Microstructure,mechanical properties and bio-corrosion properties of Mg-HA bionanocomposites fabricated by a novel severe plastic deformation process

This research investigates the alterations in microstructure, mechanical properties, and corrosion behavior of binary magnesium-hydroxyapatite bionanocomposites with 2, 5, and 10 wt%HA. By mixing Mg and HA powders with different percentages of HA contents, a combined method of cyclic extrusion compression (CEC), equal channel angular pressing (ECAP) and conventional extrusion were employed to consolidate the mixture of powders. All composites were examined. The results indicate that the addition of hydroxyapatite to magnesium improves the mechanical properties, but these properties are deteriorated with the hydroxyapatite content of over 5 wt%. The corrosion behavior of the composites was examined by immersion test, mass loss and polarization tests in Hank’s solution. The results indicate that Mg-5HA exhibits the best corrosion resistance and the corrosion rate increases when the HA content rises to more than 5 wt%. In addition, the specimen produced through the proposed method in this work indicates better corrosion resistance in comparison with cast and extruded pure Mg.     

Nb和时效时间对热轧中锰TRIP钢中P偏聚的影响

热轧态中锰TRIP钢首先经650 ℃退火2 h,随后在550 ℃进行等温时效热处理,采用场发射扫描电镜(FE-SEM)研究该钢中P的偏聚和时效析出行为的变化情况。结果表明,中锰TRIP钢中P在晶界的偏聚是一种非平衡偏聚现象,临界时间约为50 h,与理论计算结果48 h较为吻合。在局部偏聚区域内,C与P存在共偏聚的关系,即P偏聚量高的地方,C含量也高。而合金元素Nb具有抑制P偏聚的效果,在20~70 h时效时间内,可以相对降低6.57%~19.5%的最大P偏聚量。根据电子背散射衍射(EBSD)菊池线分析,P偏聚量低于2.28at%时,P为固溶状态,高于2.28at.%时,P为析出状态。     

Tribological behavior of graphene reinforced chemically bonded ceramic coatings

To investigate tribological behavior of graphene reinforced chemically bonded ceramic coatings at different temperatures, tribological tests at room temperature, 200 °C and 500 °C were carried out. Results show that the fracture toughness and the hardness of the coating are improved with the introduction of graphene. Besides, the friction coefficient of the coating decreases with the addition of graphene at the room temperature and 200 °C. The coating without graphene achieves the similar friction coefficient at all temperatures. However, the coating with graphene achieves the lowest friction coefficient at 200 °C, and achieves the highest at 500 °C. In addition, the wear rate of the coating decreases with the increase of graphene. Besides, the wear rate at 200 °C is almost similar with that at room temperature. In contrast, the wear rate at 500 °C is much larger than those at room temperature and 200 °C. The mechanisms for graphene to decrease the friction coefficient and improve the wear resistance of chemically bonded ceramic coatings at evaluated temperatures are clarified.     

Use of conditioning time to investigate the mechanisms of interactions of selected fatty acids on hematite Part II laboratory investigations

It is the aim of this paper to examine the effects of conditioning time on the flotation of hematite using three technical grade fatty acid reagents as providing additional evidence on their mechanism of interaction with the hematite surface. Various mechanisms have been postulated as occurring as conditioning time is increased. Both physical (e.g. conditioning time and power input) and chemical (nature, dispersion and solubility of the adsorbing species) contribute to the mechanisms of attachment of collector. In this paper, the mechanism of attachment of oleate to hematite can be readily explained by chemisorption, but the mechanism of attachment of lauric acid appears to be physical adsorption at neutral pH. The flotation of hematite with a mixture of tallow-type fatty acids (palmitic, stearic and oleic acids) is very sensitive to conditioning time, and suggests that, even though flotation is very effective at short conditioning times, it is very susceptible to the presence of fines and their associated high surface areas. It is therefore obvious that both the physical and chemical conditions contribute to the mechanisms of adsorption of fatty acids on iron-containing oxide minerals and must be understood in order to optimise the flotation of these minerals in an industrial situation.