Experimental investigations on the effect of thicknesses on mixed-mode I/II fracture are performed with an aluminum alloy with thicknesses of 2, 4, 8 and 14 mm. It is found that under pure-mode I loading condition, the loading capacity per unit thickness monotonically decreases with increasing thickness. However, under mixed-mode loading condition, the dependence of loading capacity on the thickness becomes very weak. Although the measured crack initiation angles from the mid-plane of the fractured specimens coincide well with typical existed criteria in the thin and thick specimens under all the mixed-mode conditions except pure-mode II, exceptional low crack initiation angles are found in the 8mm-thick specimens. Although ductile dimples are the dominated microscopic features in all the specimens, the size of the final voids varies significantly with specimen thickness and loading mode. The ductile dimples in the crack initiation zone become larger and shallower as the specimen thickness decreasing.
Fracture in aluminum alloys with precipitates involves at least two mechanisms, namely, ductile fracture of the aluminum-rich matrix and brittle fracture of the precipitates. In this work, a coupled crystal plasticity-phase field model for mixed ductile-brittle failure modes is formulated and used to investigate the effect of precipitate morphology and size distribution on damage evolution in aluminum alloys. A thermodynamically consistent framework for elastic and plastic work dissipation in the fracture process zone is used to formulate the coupled constitutive behavior for brittle and ducti…
We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based on ab initio modelling, we calculate solution energies, then employ Oriani's theory which reflects the influence of Al alloying via trap site diffusion. This local equilibrium model is complemented by qualitative considerations of Einstein diffusion. Therefore, we apply the climbing image nudged elastic band method to compute the minimum energy paths and energy barriers for hydrogen diffusion. Both for diffusivity and solubility of…
Precipitation kinetics of Al3Zr and Al3Sc in aluminum supersaturated solid solutions is studied using cluster dynamics, a mesoscopic modeling technique which describes the various stages of homogeneous precipitation by a single set of rate equations. The only parameters needed are the interface free energy and the diffusion coefficient which are deduced from an atomic model previously developed to study the same alloys. A comparison with kinetic Monte Carlo simulations based on the vacancy diffusion mechanism shows that cluster dynamics correctly predicts the precipitation kinetics provided a …
The microstructure, mechanical properties, and corrosion behavior of friction stir welded (FSW) AA6061 aluminum alloys were investigated. Dynamic recrystallized structures were observed and grain sizes of nugget zone (NZ), thermomechanically-affected zone (TMAZ), heat-affected zone (HAZ), and base material (BM) were different. Hardness test indicated that the minimum and maximum hardness values wereobtained in the HAZ and BM, respectively. Tensile results showed that fracture occurred in the relatively weak regions in between TMAZ and HAZ. Polarization tests illustrated that the FSW process im…
We use first principles calculations to study the influence of thermomechanical loads on the energetics of precipitation in magnesium-aluminum alloys. Using Density Functional Theory simulations, we present expressions of the energy of magnesium-aluminum binary solid solutions as a function of concentration, strain and temperature. Additionally, from these calculations, we observe an increase in equilibrium volume (and hence the equilibrium lattice constants) with the increase in concentration of magnesium. We also observe an increase in the cohesive energy of solutions with increase in concen…
Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys (CMAs): In a model quasicrystal the structure is determined by clusters of atoms, whereas the model C15 Laves phase is a simple periodic stacking of a unit cell. The simulations reveal that the basic building units of the structures also govern their fracture behaviour. Atoms in the Laves phase play a comparable role to the clusters in the quasicrystal. Although the latter are not rigid units, they have to be regarded as significant physical entities.
Spinning of a common aluminum automotive casting alloy A356 (Al-7Si-0.3 Mg) at elevated temperatures has been investigated experimentally with a novel industrial-scale apparatus. This has permitted the implementation of a fully coupled thermomechanical finite element model aimed at quantifying the processing history (stress, strain, strain-rate and temperature) and predicting the final geometry. The geometric predictions of this model have been compared directly to the geometry of the workpieces obtained experimentally. This study is novel in regards to both the size and shape of the component…
Nanoindentation is a powerful tool capable of providing fundamental insights of material elastic and plastic response at the nanoscale. Alloys at nanoscale are particularly interesting as the local heterogeneity and deformation mechanism revealed by atomistic study offers a better way to understand hardening mechanism to build a stronger material. In this work, nanoindentation in Al-Cu alloys are studied using atomistic simulations to investigate the effects of loading direction, alloying percentages of Cu via dislocation-driven mechanisms. Also, a low-fidelity finite element (FE) model has be…
Surface bubbling and helium retention of pure aluminum and a solid solution of aluminum-gallium(Ga) alloy exposed to low-energy He plasma has been investigated with the fluence of 1.8E24 He/m2 at room temperature . Surface morphology observations show that after irradiation, the average size of He bubbles on Al-1.8 at.% Ga alloy is around 1.8 micro metre, smaller than that on pure Al. Ga doping noticeably increases the area density of the bubble. The thermal desorption spectroscopyshows that the release amount of He in Al-1.8 at.% Ga alloy is 1.77E21 He/m2, nearly three orders of magnitude hig…
Ultrafine-grained aluminum alloys offer interesting multifunctional properties with a combination of high strength, low electrical resistivity, and low density. However, due to thermally induced grain coarsening, they typically suffer from an intrinsic poor thermal stability. To overcome this drawback, an Al-2%Fe alloy has been selected because of the low solubility of Fe in Al and their highly positive enthalpy of mixing leading to the formation of stable intermetallic particles. The two-phase alloy has been processed by severe plastic deformation to achieve simultaneously submicrometer Al gr…
The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well studied, these properties are not understood. In stoichiometric B2 FeAl, including the effects of partial long-range order (i.e., thermal antisites), we find the observed paramagnetic response (with non-zero local moments), in contrast to past investigations which find ferromagnetism based on local density approximation (LDA) to density functional theory or whi…
With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to predict the properties of aluminum alloy. In this thesis, the data of Al-Cu-Mg-X (X: Zn, Zr, etc.) alloy are used to input the composition, aging conditions (time and temperature) and predict its hardness. An ensemble learning solution based on automatic machine learning and an attention mechanism introduced into the secondary learner of deep neural network …
A variety of chromate-free conversion coatings are being actively investigated to improve the corrosion performance of light-weight alloys for aerospace and defense applications. Advancing conversion coating, however, requires an in-depth understanding of the underlying corrosion mechanisms in order to rationally design sustainable coatings. Here, we present a multiscale modeling approach to predict corrosion performance of metallic materials, with a focus on localized corrosion of Cu-containing aluminum alloys coated with ZrO2 layer. First-principles and transition-state theory are used to im…
Ab initio-calculated ideal strength and toughness describe the upper limits for mechanical properties attainable in real systems and can, therefore, be used in selection criteria for materials design. We employ density-functional ab initio molecular dynamics (AIMD) to investigate the mechanical properties of defect-free rocksalt-structure (B1) TiN and B1 Ti1-xAlxN (x = 0.25, 0.5, 0.75) solid solutions subject to [001], [110], and [111] tensile deformation at room temperature. We determine the alloys' ideal strength and toughness, elastic responses, and ability to plastically deform up to fract…
This chapter begins with pure aluminium and a discussion of the form of the crystal structure and different unit cells that can be used to describe the crystal structure. Measurements of the face-centred cubic lattice parameter and thermal expansion coefficient in pure aluminium are reviewed and parametrisations given that allow the reader to evaluate them across the full range of temperatures where aluminium is a solid. A new concept called the vacancy triangle is introduced and demonstrated as an effective means for determining vacancy concentrations near the melting point of aluminium. The …
Site-specific atom probe tomography (APT) from aluminum alloys has been limited by sample preparation issues. Indeed, Ga, which is conventionally used in focused-ion beam (FIB) preparations, has a high affinity for Al grain boundaries and causes their embrittlement. This leads to high concentrations of Ga at grain boundaries after specimen preparation, unreliable compositional analyses and low specimen yield. Here, to tackle this problem, we propose to use cryo-FIB for APT specimen preparation specifically from grain boundaries in a commercial Al-alloy. We demonstrate how this setup, easily im…
Modified Yukawa's potential is used to fit model parameters of nucleus to the small angle thermal neutron scattering data on the nickel-chromium-aluminum alloy at the transferred momentum $Q$ and effective nucleus radius $R$ production satisfied by condition $Q R \le \hbar$. Analytical polydisperse sphere model is used to calculate a neutron scattering intensity and to determine most probable macroscopic sphere radius $R_0$ at $Q R_0 \ge 3\hbar$. Combination of gauss, Relay and Schulze-Zimm distributions can be used to fit model parameters to experimental data. Fast algorithm and program of fi…
The electrochemical behavior and mechanical properties of friction stir welded AA5086 and AA6061 Al alloys were investigated. Micro-hardness measurements and tensile tests showed that the heat-affected zone (HAZ) in AA6061 had minimum hardness value (i.e., 88 HV) and served as failure site in the dissimilar weld. Corrosion testing revealed that the minimum value of Icorr appeared in the HAZ 5086 (0.54 uA/cm2) and HAZ 5086 was most resistant to corrosion. The AA 5086 side of the weld showed better corrosion resistance than the AA 6061 side.
We report on the fabrication of fractal dendrites by laser induced melting of aluminum alloys. We target boron carbide (B4C) that is one of the most effective radiation-absorbing materials which is characterised by a low coefficient of thermal expansion. Due to the high fragility of B4C crystals we were able to introduce its nanoparticles into a stabilization aluminum matrix of AA385.0. The high intensity laser field action led to the formation of composite dendrite structures under the effect of local surface melting. The modelling of the dendrite cluster growth confirms its fractal nature an…
In the present investigation, a strongly bonded strip of an aluminium-magnesium based alloy AA5086 is successfully produced through accumulative roll bonding (ARB). A maximum of up to eight passes has been used for the purpose. Microstructural characterization using electron backscatter diffraction (EBSD) technique indicates the formation of submicron sized (~200-300 nm) subgrains inside the layered microstructure. The material is strongly textured where individual layers possess typical FCC rolling texture components. More than three times enhancement in 0.2% proof stress (PS) has been obtain…
A multiple scattering formulation for the electromigration wind force on atoms in dilute alloys is developed. The theory describes electromigration via a vacancy mechanism. The method is used to calculate the wind valence for electromigration in various host metals having a close-packed lattice structure, namely aluminum, the noble metals copper, silver and gold and the $4d$ transition metals. The self-electromigration results for aluminum and the noble metals compare well with experimental data. For the $4d$ metals small wind valences are found, which make these metals attractive candidates f…
Aluminum and their alloys, after careful treatments, can develop excellent mechanical, tribological, electrical and chemical (high corrosion resistance) properties. However, 7000 series, with Cu in the alloy, have a poor corrosion resistance. On the other hand, aluminum nitride (AlN) has a wurtzitic phase and good thermal stability, optical, electric, piezoelectric, mechanical, tribological, and chemical properties, so the application range is huge. In this paper, AlN deposition on Al 7075 was done using the reactive magnetron sputtering technique in order to verify the aluminum nitride perfor…
Plasma electrolytic oxidation (PEO) is a process for obtaining oxide coatings on valve metals. Mostly PEO is done in an aqueous solution electrolyte which limits the size of treated parts due to the system heating up. In presented work an alternative method of PEO processing applied in aluminum 1050 alloy in nitrate molten salt was investigated. The morphology, phase and chemical compositions, micro-hardness, and corrosion resistance were examined using. The obtained results showed that formed coating contains from two sub-layers, outer soft layer with the thickness of 4 micrometer and inner, …
NPs are ultrafine-grain crystal or amorphous substances which are as small as 100nm. They have unique physical, chemical and mechanical properties, which are very different from those of large scale materials. This uniqueness is attributed to the fact that the number of atoms in the surface layer and in the bulk is commensurable. As the atoms in the surface layer of nanoparticles have their counterparts from one side only, their balance is impaired, and the resulting structure relaxation leads to the displacement of atomic spacing in a 2-3nm layer. Therefore the surface layers expand while int…
An Al-11.3Li-0.11Sc (at. %) alloy was double-aged to induce first alpha'-Al3Sc and then delta'-Al3Li precipitates. Atom-probe tomography revealed both single-phase delta'-precipitates and core-shell alpha'/delta'-precipitates (with respective average radii of 16 and 27 nm, and respective volume fractions of 12 and 9%) conferring a high strength to the alloy. Although the delta'-shells contain little Sc (~0.027 at. %), the alpha'-cores have a high Li content, with an average composition of Al0.72(Sc0.17 Li0.11). The Li concentrations within the delta'-phase and the Li interfacial excess at the …
The fracture properties of as-cast TiVNbTa, a refractory high-entropy alloy (RHEA), were investigated using four-point bending tests from -139C to 20C under a strain-rate of 10-3 s-1. From those tests and fractography, the conditional fracture toughness values and the brittle-to-ductile transition temperature were obtained. The brittle-to-ductile transition temperature was between -47C to -27C, which gives an estimated activation energy value of 0.52+-0.09 eV for the alloy. This study provides a preliminary understanding of the nature of dislocation motion in a relatively ductile RHEA.
In this work the global and local mechanical properties of the magnetocaloric intermetallic LaFe11.2Si1.8 alloy are investigated by a combination of different testing and characterization techniques in order to shed light on the partly contradictory data in recent literature. Macroscale compression tests were performed to illuminate the global fracture behavior and evaluate it statistically. LaFe11.2Si1.8 demonstrates a brittle behavior with fracture strains below 0.6 % and widely distributed fracture stresses of 180-620 MPa leading to a Weibull modulus of m = 2 to 6. The local mechanical prop…
In this research a novel and simple electrochemical method is developed in order to facilitate the large-scale production of nanowires. The proposed electrochemical technique shows versatile controllability over chemical composition and crystalline structure of Cu-Sn nanowires. Another important factor, which could be controlled by using this method, is the order structure of nanowires more accurately in comparison to conventional synthesizing procedures. As a result, the Cu-Sn nanowires as well as Aluminum Oxide templates synthesized by using the proposed electrochemical method are examined d…
ANN (Artificial Neural Networks) modeling methodology was adopted for predicting mechanical properties of aluminum cast composite materials. For this purpose aluminum alloy were developed using conventional foundry method. The composite materials have complex nature which posses the nonlinear relationship among heat treatment, processing parameters, and composition and affects their mechanical properties. These nonlinear relation ships with properties can more efficiently be modeled by ANNs. Neural networks modeling needs sufficient data base consisting of mechanical properties, chemical compo…
Medium- and high-entropy alloys based on the CrCoNi-system have been shown to display outstanding strength, tensile ductility and fracture toughness (damage-tolerance properties), especially at cryogenic temperatures. Here we examine the JIc and (back-calculated) KJIc fracture toughness values of the face-centered cubic, equiatomic CrCoNi and CrMnFeCoNi alloys at 20 K. At flow stress values of ~1.5 GPa, crack-initiation KJIc toughnesses were found to be exceptionally high, respectively 235 and 415 MPa(square-root)m for CrMnFeCoNi and CrCoNi, with the latter displaying a crack-growth toughness …
The mechanism of AgCl-induced stress corrosion cracking of Ti-6246 was examined at \SI{500}{\mega\pascal} and \SI{380}{\celsius} for \SI{24}{\hour} exposures. SEM and STEM-EDX examination of a FIB-sectioned blister and crack showed that metallic Ag was formed and migrated along the crack. TEM analysis also revealed the presence of \ce{SnO2} and \ce{Al2O3} corrosion products mixed into \ce{TiO2}. The fracture surface has a transgranular nature with a brittle appearance in the primary $α$ phase. Long, straight and non-interacting dislocations were observed in a cleavage-fractured primary $α$ gra…
Identification and characterization of three-dimensional crack propagation mechanism in the Aluminium alloy AA2024-T3 using high-resolution Digital Image Correlation
Damage-tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ~1 GPa, excellent ductility (~60-70%) and exceptional fracture toughness (KJIc > 200 MPa/m). Here, through the use of in-situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties.…
High-strain-rate shear tests were conducted on a three-layered bonded test piece comprising a central aluminum layer with PMMA resin layers bonded on both sides. Upon calculating the displacement field and the strain field using digital image correlation (DIC), the crack tip was located, and the fracture toughness was evaluated at the Aluminum/PMMA bonding interface. As a result of the DIC, it was possible to determine the process by which 1) the elastic stress wave propagated to the aluminum section, 2) the wave was transmitted to the PMMA section, and 3) the crack developed at the interface.…
Zr and Sc precipitate in aluminum alloys to form the compounds Al3Zr and Al3Sc which for low supersaturations of the solid solution have the L12 structure. The aim of the present study is to model at an atomic scale this kinetics of precipitation and to build a mesoscopic model based on classical nucleation theory so as to extend the field of supersaturations and annealing times that can be simulated. We use some ab-initio calculations and experimental data to fit an Ising model describing thermodynamics of the Al-Zr and Al-Sc systems. Kinetic behavior is described by means of an atom-vacancy …
Machine learning is changing how we design and interpret experiments in materials science. In this work, we show how unsupervised learning, combined with ab initio modeling, improves our understanding of structural metastability in multicomponent alloys. We use the example case of Al-O-N alloys where the formation of aluminum vacancies in wurtzite AlN upon the incorporation of substitutional oxygen can be seen as a general mechanism of solids where crystal symmetry is reduced to stabilize defects. The ideal AlN wurtzite crystal structure occupation cannot be matched due to the presence of an a…
Strain heterogeneity at the microstructural level plays a vital role in the deformation and fracture behaviour of dual or multi-phase materials. In the present work, the strain heterogeneity, localization and partitioning arising at the sub-micron scale during elevated temperature (170 °C) tensile deformation of an Mg-5Al-3Ca alloy was investigated using quasi in-situ μ-DIC experiments. The results reveal that the strain is mainly carried by the α-Mg phase, while the intermetallic Laves phase plays a critical role in that strain concentrations build up at the α-Mg matrix and Laves phase interf…
A novel phase-field for ductile fracture model is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling mechanism between plasticity and fracture by degrading the fracture toughness as the equivalent plastic strain increases. The proposed model is compared with a recent alternative where plasticity and fracture are strongly coupled. Several representative numerical examples motivate specific modeling choices. In particular, a linear crack geometric function provides …
