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 delta'/alpha'-interface both exhibit wide precipitate-to-precipitate variations.
The two-dimensional dislocation dynamics approach has been recently used for analyzing plastic deformation in metals and alloys at elevated temperatures. The two-dimensional approach, however, only accounts for the dislocation climbing process, and it assumes that dislocation bypassing and shearing of precipitates are negligible. To examine the validity of this assumption, this study quantifies dislocation bypassing and shearing of precipitates in terms of critical resolved shear stress, interaction time, and thermal activation energy for various precipitate strength levels, temperatures, and …
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 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…
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…
This work describes a multidisciplinary research methodology for quantifying the size distribution of nanoscale precipitates in polycrystalline alloys. Complementary transmission electron microscopy (TEM) and small-angle x-ray scattering (SAXS) are employed in a study of precipitate growth in an isothermally aged Mg-Zn alloy. TEM is used to identify the precipitate phases as rod-shaped β' particles and to determine their radii and aspect ratio. Subsequently, SAXS data obtained from bulk quantities of the alloy is interpreted via a novel Monte-Carlo method to obtain accurate, form-free size dis…
The Ni-based superalloy Alloy 718 is used in aircraft engines as high-pressure turbine discs and must endure challenging demands on high-temperature yield strength, creep-, and oxidation-resistance. Nanoscale $γ^{\prime}$- and $γ^{\prime \prime}$-precipitates commonly found in duplet and triplet co-precipitate morphologies provide high-temperature strength under these harsh operating conditions. Direct ageing of Alloy 718 is an attractive alternative manufacturing route known to increase the yield strength at 650 $^°$C by at least +10 $\%$, by both retaining high dislocation densities and chan…
High purity niobium (Nb), subjected to the processing methods used in the fabrication of superconducting RF cavities, displays micron-sized surface patches containing excess carbon. High-resolution transmission electron microscopy and electron energy-loss spectroscopy measurements are presented which reveal the presence of nanoscale NbC coherent precipitates in such regions. Raman backscatter spectroscopy on similar surface regions exhibit spectra consistent with the literature results on bulk NbC but with significantly enhanced two-phonon scattering. The unprecedented strength and sharpness o…
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…
Precipitation hardening, which relies on a high density of intermetallic precipitates, is a commonly utilized technique for strengthening structural alloys. Structural alloys are commonly strengthened through a high density of small size intermetallic precipitates. At high temperatures, however, the precipitates coarsen to reduce the excess energy of the interface, resulting in a significant reduction in the strengthening provided by the precipitates. In certain ternary alloys, the secondary solute segregates to the interface and results in the formation of a high density of nanosize precipita…
Age hardening induced by the formation of (semi)-coherent precipitate phases is crucial for the processing and final properties of the widely used Al-6000 alloys. Early stages of precipitation are particularly important from the fundamental and technological side, but are still far from being fully understood. Here, an analysis of the energetics of nanometric precipitates of the meta-stable $β''$ phases is performed, identifying the bulk, elastic strain and interface energies that contribute to the stability of a nucleating cluster. Results show that needle-shape precipitates are unstable to g…
The early stage of the chromium precipitation in copper was analyzed at the atomic scale by Atom Probe Tomography (APT). Quantitative data about the precipitate size, 3D shape, density, composition and volume fraction were obtained in a Cu-1Cr-0.1Zr (wt.%) commercial alloy aged at 713K. Surprisingly, nanoscaled precipitates exhibit various shapes (spherical, plates and ellipsoid) and contain a large amount of Cu (up to 50%), in contradiction with the equilibrium Cu-Cr phase diagram. APT data also show that some impurities (Fe) may segregate along Cu/Cr interfaces. The concomitant evolution of …
High strength 7xxx Al-alloys are currently commonly used in aerospace and are expected to be increasingly employed in the automotive sector for weight reduction purposes. These alloys can however be sensitive to stress-corrosion cracking (SCC) depending on temper and loading conditions. Both the alloy's grain structure and composition are believed to play a key role in determining sensitivity to SCC. Here, we study at the nanometer scale the evolution of the microstructure near stress corrosion cracks on two different model variants of the 7140 aluminum alloy. We performed double cantilever be…
Exploring the impact of Ti/Al on L12 nanoprecipitation and deformation behavior in CoNiFeAlTi multi-principal element alloys through atomistic simulations
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 …
The effects of various heat treatments on the microstructure and hardness of new Ni56Ti41Hf3 and Ni56Ti36Hf8 (atomic %) alloys were studied to evaluate the suitability of these materials for tribological applications. A solid-solution strengthening effect due to Hf atoms was observed for the solution annealed (SA) Ni56Ti36Hf8 alloy (716 HV), resulting in a comparable hardness to the Ni56Ti41Hf3 alloy containing 54 vol.% of Ni4Ti3 precipitates (707 HV). In the Ni56Ti41Hf3 alloy, the maximum hardness (752 HV), achieved after aging at 300C for 12 h, was attributed to dense, semi-coherent precipit…
The temporal evolution of ordered gamma prime (L12)-precipitates precipitating in a disordered gamma(f.c.c.) matrix is studied in extensive detail for a Ni-12.5 Al at.% alloy aged at 823 K (550 oC), for times ranging from 0.08 to 4096 h. Three-dimensional atom-probe tomography (3-D APT) results are compared to monovacancy-mediated lattice-kinetic Monte Carlo (LKMC1) simulations, which include monovacancy-solute binding energies through 4th nearest-neighbor distances, for the same mean composition and aging temperature. The temporal evolution of the measured values of the mean radius, <R(t)>, n…
Nanoscale particles embedded in a metallic matrix are of considerable interest as a route towards identifying and tailoring material properties. We present a detailed investigation of the electronic structure, and in particular the Fermi surface, of a nanoscale phase ($L1_2$ Al$_3$Li) that has so far been inaccessible with conventional techniques, despite playing a key role in determining the favorable material properties of the alloy (Al\nobreakdash-9 at. %\nobreakdash-Li). The ordered precipitates only form within the stabilizing Al matrix and do not exist in the bulk; here, we take advantag…
While lean Mg-Zn-Ca alloys are promising materials for temporary implants, questions remain on the impact of Zn and Ca. In this context, the precipitation in Mg-1.5Zn-0.25Ca (ZX20, in wt.%) was investigated upon linear heating from about room temperature to 400 C, with a particular focus on the debated ternary precipitate phase. Three exothermic differential scanning calorimetry (DSC) peaks were observed at 125, 250 and 320 C. The microstructure at the end of these peaks (205, 260 and 350 C) was probed in a multiscale correlative approach using atom probe tomography (APT) and transmission elec…
High-spatial-resolution secondary ion mass spectrometry offers a method for mapping lithium at nanoscale lateral resolution. Practical implementation of this technique offers significant potential for revealing the distribution of Li in many materials with exceptional lateral resolution and elemental sensitivity. Here, two state-of-the-art methods are demonstrated on an aluminium-lithium alloy to visualise nanoscale Li-rich phases by mapping the 7Li+ secondary ion. NanoSIMS 50L analysis with a radio frequency O- plasma ion source enabled visualisation of needle-shaped T1 (Al2CuLi) phases as sm…
The development of new engineering alloy chemistries is a time consuming and iterative process. A necessary step is characterization of the nano/microstructure to provide a link between the processing and properties of each alloy chemistry considered. One approach to accelerate the identification of optimal chemistries is to use samples containing a gradient in composition, ie. combinatorial samples, and to investigate many different chemistries at the same time. However, for engineering alloys, the final properties depend not only on chemistry but also on the path of microstructure developmen…
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 …
Using a first-principles cluster expansion, we shed light on the solid-state phase diagram and structure of the recently discovered high-performance thermoelectrics, Pb-Ag-Sb-Te alloys. The observed nanoscale inhomogeneities are shown to be coherent precipitates of ordered (Ag)m(Sb)n(Te)m+n phases, such as AgSbTe2, all immiscible with rocksalt PbTe. The solubility is high for PbTe in AgSbTe2 and low for (Ag,Sb)Te in PbTe (8% vs. 0.6% at 850 K). The differences in the phonon spectra of PbTe and AgSbTe2 confirm that the inhomogeneities enhance the thermoelectric performance.
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…
