Related papers: Atomic-scale study on core-shell Cu precipitation …
This paper focuses on the development of the atomistic framework for determining the lower scale mechanical parameters of single components of a metal matrix composite for final application to a micromechanical damage model. Here, the…
\theta' (Al2Cu) precipitates in Al-Cu-Ag alloys were examined using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). The precipitates nucleated on dislocation loops on which assemblies of {\gamma}'…
This paper describes atomistic simulations of deformation and fracture of Al reinforced with carbon nanotubes (CNTs). We use density functional theory (DFT) to understand the energetics of Al-graphene interfaces and gain reference data for…
A multiscale approach based on the phase-field model is developed to simulate homogeneous and heterogeneous formation of {\theta}' precipitates during high temperature ageing in Al-Cu alloys. The model parameters that determine the…
The carbon atom distribution in a tempered martensitic steel processed by cold drawing was investigated with a three-dimensional atom probe. Data clearly show that cementite starts to decompose at the early stage of deformation. This…
We report the chemical synthesis of Fe-core/Au-shell nanoparticles by a reverse micelle method, and the investigation of their growth mechanisms and oxidation-resistant characteristics. The core-shell structure and the presence of the Fe &…
Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…
In this study, the role of elastic and interfacial energies in the shape evolution of T1 precipitates in Al-Cu-Li alloys is investigated using phase-field modeling. We employ a formulation considering the stoichiometric nature of the…
The precipitation microstructure of the \gamma' (AlAg2) intermetallic phase has been examined in aluminium-silver-copper alloys. The microstructure developed in an Al-0.90at.%Ag-0.90at.%Cu alloy was significantly different from that…
We examine precipitate-induced dynamic strain aging in precipitation-hardened Al-Cu alloys by combining atomistic simulations, kinetic Monte Carlo, and analytical rate theory. Atomistic simulations were used to characterize (1) the…
The mechanisms of dislocation/precipitate interaction were studied by means of discrete dislocation dynamics within a multiscale approach. Simulations were carried out using the discrete continuous method in combination with a fast Fourier…
Bimetallic nanoparticles are often superior candidates for a wide range of technological and biomedical applications, thanks to their enhanced catalytic, optical, and magnetic properties, which are often better than their monometallic…
We study the phase behaviour of the Al$_x$CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of…
Research over the years has shown that the formation of the Fe$_3$Si phase in FINEMET (Fe-Si-Nb-B-Cu) alloys leads to superior soft magnetic properties. In this work, we use a CALPHAD approach to derive Fe-Si phase diagrams to identify the…
Atomic structure of a mono-dispersive hematite ($\alpha$-Fe$_2$O$_3$) nanocube $(0 1\bar1 2)$ surface was determined with synchrotron X-ray diffraction. The $\alpha$-Fe$_2$O$_3$ nanocubes were prepared through a hydrothermal process and a…
The paper presents the results of investigation of the structure of porous condensates of Ag-NaCl and Cu-NaCl composition; chemical and phase compositions and dimensions of nanoparticles, produced from the vapour phase by EBPVD method.…
We report the observation of the metallic niobium migration within the molten Cu-Nb alloy mass on the synthesis of nano-granular Cuxwt%Nb evolution, we prepared a series of granular samples by rapidly cooling a molten mixture of Cuxwt$%$Nb,…
The continuous miniaturization of modern electromechanical systems calls for a comprehensive understanding of the mechanical properties of metallic materials specific to micrometer and sub-micrometer scales. At these scales, the nature of…
We used nonequilibrium molecular dynamics simulations to study the shear deformation of metallic composites composed of alternating layers of Cu and Au. Our simulations reveal the formation of "vortices" or "swirls" if the bimaterial…
A Cu-Fe nanocomposite containing 50 nm thick iron filaments dispersed in a copper matrix was processed by torsion under high pressure at various strain rates and temperatures. The resulting nanostructures were characterized by transmission…