Related papers: Atomic-scale study on core-shell Cu precipitation …
A multidisciplinary approach is presented to analyse the precipitation process in a model Al-Cu alloy. Although this topic has been extensively studied in the past, most of the investigations are focussed either on transmission electron…
We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…
Structural characterization of nanoscale-two-metal-phase systems, which exhibit partial, complete, or no mixing when co-sputtered with a few percent of a minority element, is extremely challenging. Co-sputtering two metals at room…
Precipitation of the \gamma' (AlAg2) phase was investigated in Al-Ag(-Cu) alloys using high resolution transmission electron microscopy and scanning transmission electron microscopy. Precipitation commenced with segregation of silver to…
The development of accurate methods for determining how alloy surfaces spontaneously restructure under reactive and corrosive environments is a key, long-standing, grand challenge in materials science. Current oxidation models, such as…
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…
Atomistic simulations are used to study linear complexion formation at dislocations in a body-centered cubic Fe-Ni alloy. Driven by Ni segregation, precipitation of the metastable B2-FeNi and stable L10-FeNi phases occurs along the…
The details of phase separation of a Ni-6.5Al-9.9Mo aged at 978 K for aging times ranging from 0.125 to 1024 h are investigated by atom-probe tomography and lattice-kinetic Monte Carlo (LKMC) simulations. On the basis of the temporal…
Nucleation and growth of Ti$_3$Al \textalpha{}$_2$ ordered domains in \textalpha{}-Ti--Al--X alloys were characterised using a combination of transmission electron microscopy, atom probe tomography and small angle X-ray scattering. Model…
A filamentary composite elaborated by cold drawing was processed by High Pressure Torsion (HPT). The nanostructure resulting from this severe plastic deformation (SPD) was investigated thanks to scanning electron microscopy, transmission…
The apex atom of a W scanning probe tip reveals a non-spherical charge distribution as probed by a CO molecule bonded to a Cu(111) surface [Welker et al. Science, 336, 444 (2012)]. Three high-symmetry images were observed and related to…
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…
Using special quasirandom structures (SQS's), we perform first-principles calculations studying the metastable bcc NiCu and FeCu alloys which occur in Fe-Cu-Ni alloy steels as precipitated second phase. The mixing enthalpies, density of…
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…
At the nanometric scale, the synthesis of a random alloy (i.e. without phase segregation, whatever the composition) by chemical synthesis remains a not easy task, even for simple binary type systems. In this context, a unique approach based…
Nanoprecipitates form during nucleation of multiphase equilibria in phase segregating multicomponent systems. In spite of their ubiquity, their size-dependent physical chemistry, in particular at the boundary between phases with…
In this work we use density functional theory (DFT) calculations to benchmark empirical potentials for the interaction between nickel and sp$^2$ bonded carbon nanoparticles. These potentials are then used in order to investigate how Ni…
The microstructure of the commercial alloy AA2195 was investigated on the nano-scale after conducting a T8 tempering. This particular thermo-mechanical treatment of the specimen resulted in the formation of platelet-shaped $T_{1}$…
We consider the process of precipitation in binary alloys in the presence of mechanical deformation. It is commonly observed that mechanical deformation prior to or during precipitation leads to microstructure with excess defects, which…
In this paper, the thermal and structural properties of Cu-Au (Copper-Gold) Janus nanoparticles with a diameter of 5 nm are investigated by using molecular dynamics (MD) simulations within the interactions defined by the many-body embedded…