Related papers: Atomic-scale study on core-shell Cu precipitation …
Icosahedral quasicrystals spontaneously form from the melt in simulations of Al--Cu--Fe alloys. We model the interatomic interactions using oscillating pair potentials tuned to the specific alloy system based on a database of density…
In this paper, we study the effects of $\theta ^\prime$-Al$_2$Cu plate-like precipitates on the plasticity of Al-Cu micro-pillars, with a sample size allowing the precipitates to cross the entire micro-pillar. {100}-slip traces are…
The kinetic pathways resulting from the formation of coherent L12-ordered y'-precipitates in the g-matrix (f.c.c.) of Ni-7.5 Al-8.5 Cr at.% and Ni-5.2 Al-14.2 Cr at.% alloys, aged at 873 K, are investigated by atom-probe tomography (APT)…
While liquid crystals (LCs) have been extensively studied, obtaining a comprehensive nanoscale picture of their molecular organization remains challenging, as conventional techniques face an intrinsic trade-off between spatial and chemical…
Body-centered cubic (bcc) Fe-Mn systems are known to exhibit a complex and atypical magnetic behaviour from both experiments and 0 K electronic-structure calculations, which is due to the half-filled 3d-band of Mn. We propose effective…
Atomic structures of nanomaterials are inherently dynamic, continuously reshaped through interactions with chemical species and external stimuli. Such dynamics are further amplified as the size and dimensionality of nanomaterials are…
The thermal decomposition behavior, the microstructural evolution and its influence on the mechanical properties of a supersaturated Cu Co solid solution with ~100 nm average grain size prepared by severe plastic deformation is investigated…
Quaternary phases formed in copper alloys are investigated through a combination of quantum-mechanical and classical computer simulations and active machine learning. Focus is given on nickel, silicon, and chromium impurities in a copper…
A comprehensive study of pulsed nitriding in AISI H13 tool steel at low temperature (400{\deg}C) is reported for several durations. X-ray diffraction results reveal that a nitrogen enriched compound (Epsilon-Fe2-3N, iron nitride) builds up…
Nanotubular materials inspired by crystalline diborides such as AlB_2 are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated…
We apply a combinatorial approach to study the influence of Mg concentration on the precipitation kinetics in an Al-Cu-Li alloy using a diffusion couple made by linear friction welding. The precipitation kinetics is monitored in the…
The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…
Modern engineering alloys have bespoke microstructures, where features such as precipitates are used to control properties. In many Ni-based alloys, carbo-nitride precipitates are introduced to strengthen and improve performance. These…
The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…
Recent studies on CoNi-based multi-principal element alloys (MPEAs) have demonstrated high strength and ductility, attributed to the formation of stable L12 nanoscale precipitates. However, the fundamental mechanisms behind such impressive…
In this article, we combine casting experiments and quantitative simulations to present a novel multiscale modeling approach to predict local primary dendritic spacings in metallic alloys solidified in conditions relevant to industrial…
Collapse modes in compressed simple cubic (SC) and body-centered cubic (BCC) periodic arrangements of elastic frictionless beads were studied numerically using the discrete element method. Under pure hydrostatic compression, the SC…
The interaction between edge basal dislocations and $\beta$-Mg$_{17}$Al$_{12}$ precipitates was studied using atomistic simulations. A strategy was developed to insert a lozenge-shaped Mg$_{17}$Al$_{12}$ precipitate with Burgers orientation…
As a typical immiscible binary system, copper (Cu) and lithium (Li) show no alloying and chemical intermixing under normal circumstances. A notable example that takes advantages of the immiscibility between Cu and Li is the widespread…
Radiation-induced segregation (RIS) of solutes in materials exposed to irradiation is a well-known problem. It affects the life-time of nuclear reactor core components by favouring radiation-induced degradation phenomena such as hardening…