Related papers: Atomic-scale study on core-shell Cu precipitation …
This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…
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…
The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and…
The high strength of structural aluminium alloys depends strongly on the controlled precipitation of specific intermetallic phases, whose identity and crystal structure can be difficult to predict. Here, we investigate the Al-Pt system,…
We aim to investigate relationships between select processing parameters or inputs (composition, temperature, annealing time) and two structural parameters, specifically, the mean radius and volume fraction of the Fe$_3$Si nanocrystals. To…
The early stage of the reactive interdiffusion in the Cu-Al system was investigated at 350 {\textdegree}C and 300 {\textdegree}C thanks to in-situ transmission electron microscopy. A special care was given to find conditions where the…
We present molecular dynamics (MD) simulations of radiation damage in pure Fe nanoparticles (NP) and bimetallic FeCu core-shell nanoparticles (CSNP). The CSNP includes a perfect body centered cubic (bcc) Fe core coated with a face-centered…
Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…
Absorption efficiency profiles and localized surface plasmon resonance (LSPR) wavelengths are reported for metallic core-shell nanoparticles (NPs) placed over a BK7 glass substrate. A numerical study is performed with the vectorized version…
The weathering of iron-rich phases within meteorites is a process that significantly alters the microstructure and chemical composition based on the environmental conditions at the location of landing and exposure time since fall. This work…
Using spin polarized density functional theory (DFT) based calculations, combined with ab-initio molecular dynamics simulation, we carry out a systematic investigation of the bimetallic Ni$_{13-n}$Ag$_n$ nano clusters, for all compositions.…
Femtosecond (fs) laser sintering enables ultrafast and spatially localized energy deposition, making it attractive for additive manufacturing of metal nanoparticles. However, undesired ablation during fs irradiation of copper (Cu)…
This study aimed to explore and develop a new material with high cost-effectiveness, excellent strength, light weight, high hardness, great wear resistance, corrosion resistance, and favorable oxidation resistance. Structural analysis…
This work demonstrates the development of a strong and ductile medium entropy alloy by employing conventional alloying and thermomechanical processing to induce partial recrystallization (PR) and precipitation strengthening in the…
While most of the experimental studies are dealing with partially oxidized metallic nanosolids, their behaviour is not well understood theoretically. To this end we utilized molecular dynamics simulation and charge-optimized many-body…
We study the influence of the atomic structure in the vicinity of voids on their growth rate anisotropy. In the first part, we model the atomic structure in the vicinity of nanovoids in Fe and W using the advanced Molecular Statics method.…
In the nanometric scale, alloy nanomaterials behave as new materials since they are able to display structures and properties which are different from those of the pure metal nanostructures or bulk alloys. In this work, the compositional…
Using first principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the…
Copper precipitation is a technique extensively deployed in steel strengthening. Being as tiny as a few nanometers in diameter, the Cu precipitates present a real challenge to experimental techniques in determination of their composition.…
Porous metal oxides with nano-sized features attracted intensive interest in recent decades due to their high surface area which is essential for many applications, e.g. Li ion batteries, photocatalysts, fuel cells and dye-sensitized solar…