Related papers: From solid solution to cluster formation of Fe and…
Concentration of Cr in the Fe-rich alpha-phase, x, resulted from a phase decomposition caused by an isothermal annealing at T = 415 and 450 C of a non-irradiated (NR) Fe-Cr14 EFDA sample and that of a He-ions irradiated (IR) one annealed at…
We consider a system of particles interacting via a purely repulsive, soft-core potential recently introduced to model effective pair interactions between dendrimers, which is expected to lead to the formation of crystals with multiple…
By studying Fe-doped ZnO pellets and thin films with various x-ray spectroscopic techniques, and complementing this with density functional theory calculations, we find that Fe-doping in bulk ZnO induces isovalent (and isostructural) cation…
Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify a vacancyinduced pseudo-gap formation in antiferromagnetic…
A clustering aspect is explained for the $^9$Be nucleus in charged-lepton deep inelastic scattering. Nuclear modifications of the structure function $F_2$ are studied by the ratio $R_{\rm EMC} = F_2^A /F_2^D$, where $A$ and $D$ are a…
Short-range order (SRO) alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion…
An electron diffraction study of nucleation and growth of the hcp phase in large pure Ar and mixed Ar-Kr clusters formed by supersonic jet expansion is carried out. The threshold cluster size corresponding to the appearance of an hcp phase…
We present a systematic analysis of XMM-Newton observations of 8 cool-core clusters of galaxies and determine the Fe distribution in the intracluster medium relative to the stellar distribution in the central dominant galaxy (CDG). Our…
Iron based industrial steels typically contain a large number of alloying elements, even so-called low alloyed steels. Under irradiation, these alloying elements form clusters that have a detrimental impact of the mechanical properties of…
The influence of Zr additions (in the form of ZrH2 particles) on the microstructure and mechanical properties of IN718 Ni-based superalloy manufactured by selective laser melting was explored. Fully dense alloys could be obtained by careful…
Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has…
Tens of Zr inter-atomic potentials (force fields) have been developed to enable atomic-scale simulations of Zr alloys. These can provide critical insight in the in-reactor behaviour of nuclear fuel cladding and structural components…
Some physical properties of bcc Fe/V and Fe/Co (001) superlattices are reviewed. The dependence of the magnetic anisotropy on the in-plane strain introduced by the lattice mismatch between Fe and V is measured and compared to a theoretical…
Cu-Cr-Zr alloys play a crucial role in electronic devices and the electric power industry, where their electrical conductivity and hardness are of great importance. However, due to the scarcity of available samples, there has been a lack of…
Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate…
A central drop of ICM Fe abundance has been observed in several cool-core clusters. It has been proposed that this abundance drop may be due, at least partially, to the depletion of Fe into dust grains in the central, high-density regions.…
We investigate the short-range order (SRO) and phase stability of the equiatomic CoCrFeMnNi high-entropy alloy using cluster expansion supplemented by an eigen-decomposition analysis of the SRO parameters. Our results reveal that the…
In the framework of density functional theory, the structural and magnetic properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the different structural order are investigated. Using the Korringa-Kohn-Rostoker Green's…
Cluster expansions are commonly employed as surrogate models to link the electronic structure of an alloy to its finite-temperature properties. Using cluster expansions to model materials with several alloying elements is challenging due to…
The core structure of galaxy clusters is fundamentally important. Even though self-gravitating systems have no stable equilibrium state due to their negative heat capacity, numerical simulations find density profiles which are universal in…