Materials Science Forum Vol. 941

Abstract: Metal nanoparticles have attracted more and more attention in the last years due to their unique chemical and physical properties which are very different from the metal bulk material. In particular, when the size of nanoparticles decreases below two nm, nanoparticles can be described as nanoclusters (NCs), and they present peculiar optical properties. The excited electrons in addition to specific absorption bands show also a bright luminescence related to the quantum size effect which produce discrete energy levels. Optical properties (absorption and fluorescence) of these NCs are widely used in many different applications in science and engineering, such as chemical sensors, fluorescent probes for bio imaging or in environmental issues. In the present study, we report on the synthesis of silver nanoclusters (AgNCs) in aqueous phase using silver nitrate as precursor salt and L-Glutathione (GSH) as stabilizer. AgNCs were characterized using absorption and fluorescence spectroscopy, and transmission electron microscopy (TEM). The strong absorption and luminescence shown by these NCs are very promising for a possible exploitation both as label for bioimaging and for optical sensors for heavy metal ions.

Abstract: Chemically curing adhesives are formulations requiring reactions to convert from liquid to solid. Once cured, these adhesives carry the potential to create strong load bearing joints, resisting even severe detrimental service conditions. In adhesively bonded joints with chemically curing adhesives the term "interphase" relates to the adhesive volume adjacent to the surface of the adherent (interface), which generally will exhibit properties different from those of the adhesive bulk polymer. The properties of these interphases play an important role concerning the performance and durability of structural adhesive joints. Therefore localized strain analysis in the cross-section of shear-loaded adhesive joints was performed by combining a high-precision mechanical testing device with digital microscopy and by developing a method for preparing, marking, and digitally tracking the local deformations in micro shear specimen. Non-uniform shear profiles developing in the cross-section of the adhesive joints after exceeding the yield point serve as a sensitive indication for mechanical surface-affected interphase properties and it could be observed, that deranged crosslinking promotes strain softening of the polymer in the interphase. Infrared analysis of the cross-sectional interphase region in adhesively bonded joints was performed with a Bruker Tensor II Fourier Transform Infrared (FTIR) spectrometer equipped with a Hyperion 3000 microscope with a 20x ATR germanium crystal objective and a MCT-Focal-Plane-Array-Detector (FPA), allowing to conduct high resolution chemical imaging and localized chemical analysis.

Abstract: The macroscopic strain rate sensitivity m and apparent activation energy Q are derived from their microscopic counterparts associated with strain hardening, grain boundary mobility, and nucleation rate in the case of steady state discontinuous dynamic recrystallization (DDRX). The case of solid solutions, involving effects of the solute concentration on strain hardening and boundary mobility, is also taken into consideration. Moreover, three distinct Derby exponents are introduced to refine the correlation between steady state flow stress and average grain size. Hot torsion data and micrographic observations on a set of nickel-niobium alloys are used to assess the predictions of this tentative approach.

Abstract: The flow curves determined on a series of Ni-Nb alloys are analysed. Six alloys containing Ni–0.01, 0.1, 1, 2, 5 and 10 wt. % Nb with pure Ni were tested in torsion at various strain rates within the hot forging temperature range. Under these conditions, large strains were attained, which permitted steady state flow to take place. The double-differentiation method is employed to define the critical strain for the initiation of DRX, leading to the evaluation of the strain hardening and dynamic recovery parameters. The relations obtained are compared to ones determined earlier using a least squares approach. It is shown that the two sets of relations do not differ appreciably. These results are employed to predict the Avrami kinetics of a range of Ni-Nb alloys strained at different temperatures and strain rates. The Avrami time exponents all fall in the range 1.0 to 5.0. The dependence of the time of half-softening, t₅₀, on Nb content, strain rate and temperature is also derived under the same conditions.

Abstract: The conventional characterization of work-hardening is to approximate the stress-strain diagram using the empirical curve-fitting of Hollomon or Voce. The new method uses the Taylor slip analyses to derive a functional form which is optimally fitted to the data. This constitutive relations analysis (CRA) duplicates the data using at least two fit loci. The fit parameters relate to the slip motion within the microstructure and hence its interpretation reveals the possible dynamic shape-change reactions. The fit-process defines a new yield stress which separates the yielding from the deformation mechanisms at large strains that breaks up into two regions separated by intersection parameters. The applications of CRA to nanovoid formation and growth leading to ductile failure, plane stress yield locus prediction using tensile tests and decoding the stress-strain diagram for age-hardened aluminum alloys have been successful. Using super-pure aluminum, this study confirms that CRA is based on crystal plasticity principles and that CRA can predict the correlation of the obstacle strength factor, α, with work-hardening, hence permitting conversion of flow stress at given strains to obstacle density. The derived results show that the inherent annihilation process and the changing strength factor are coordinated to result in a self-consistent constitutive relation.

Abstract: Simulation and analysis of thermal interactions during heat treatment is of great importance for accurate prediction of temperature evolution of work pieces and consequently controlling the final microstructure and mechanical properties of products. In the present study, a three-dimensional CFD model was employed to predict the heating process of large size forged ingots inside an industrial gas-fired heat treatment furnace. One-ninth section of a loaded furnace, including details such as fixing bars and high-momentum cup burners, was employed as the computational domain. The simulations were conducted using the ANSYS-FLUENT commercial CFD package. The k-ε, P-1 and Probability Density Function (PDF) in the non-premix combustion, as low computational cost numerical approaches were employed to simulate the turbulent fluid flow, thermal radiation, combustion and conjugate heat transfer inside the furnace. Temperature measurement at different locations of the forged ingot surfaces were used to validate the transient numerical simulations. Good agreement was obtained between the predictions of the CFD model and the experimental measurements, demonstrating the reliability of the proposed approach and application of the model for process optimization purposes. Detailed analysis of conjugate heat transfer together with the turbulent combustion showed that the temperature evolution of the product was significantly dependant on the furnace geometry and the severity of turbulent flow structures in the furnace.

Abstract: This paper presents a methodology in order to predict A1, solidus and liquidus temperatures using a relatively simple approach. The proposed approach is based on the combined use of the thermodynamic software Thermo-Calc and the composite centered design of experiments (DOE) method. Four important alloying elements (C, Ni, Mn and Cr) were considered in the DOE. The impact of each alloying element on the transformation temperatures was determined and discussed. It was found that carbon has the most important impact on solidus and liquidus whereas Ni, Mn, and Cr have a significant impact on A1. The proposed models were generated using Analysis of Variance (ANOVA) method. A good agreement between experimental and predicted results was found with a maximum error of 1.1 % for transformation temperatures. Furthermore, the proposed models were validated using a large amount of experimental data published in the literature with a maximum error equal to 7.8 %.

Abstract: We focus in this paper on a multiscale modeling approach of the materials’ reversible behavior involving couplings of the chemo-magneto-thermo-mechanical type. It is shown that it is possible to take into account a large variety of these coupled environments by a unified approach using the springs of the scale change and the build of an appropriate Gibbs free energy function. The approach is well suited to situations where some fields can be considered homogeneous at a relevant scale and where free deformation can be defined.

Abstract: The critical inconsistency on the small angle boundary energy between the theoretical prediction of Read-Shockley model and the experimental results was discussed. The plots of the ratio between boundary energy E and the tilt angle θ against log θ show different tendency between the EAM simulated and the experimental results. The first principles calculations on the small angle tilt boundary energy on Al ⟨100⟩ direction were performed. Still the calculation sizes of the model are limited, the obtained values are located between the EAM simulated and the experimetal results.

Abstract: The widely investigated perovskite oxides has attracted for a long time a great interest on the physical properties, in their bulk structures as well as the heterostructures components. The Lanthanum transition metal oxides LaMO₃ (M= Transition metal) is part of, due to their potential use in advanced technology (including superconductivity, magnetoresistance, ionic conductivity, and a multitude of dielectric properties). Despite the broad exploration of the physical properties, we found a considerable lack in the investigation of the mechanical properties of the LaMO₃ compounds. By applying the Density Functional Theory (DFT), we shed light on the structural, electronic, and especially mechanical properties of the experimentally verified phases of The LaMnO₃, and LaNiO₃. We first calculated the structural and electronic properties, then we continue with the single-crystal elastic constants and mechanical properties, where the bulk, shear and Young’s moduli, and the Anisotropy indexes were deduced, in order to remedy the existing gap of the theoretical knowledge about the mechanical behavior of the LaMnO₃, and LaNiO₃ compounds.