Related papers: Structure prediction for cobalt-rich decagonal AlC…
Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys (CMAs): In a model quasicrystal the structure is determined by clusters of atoms, whereas the model C15 Laves phase is a…
Motivated by recent experimental findings, we investigate the possible occurrence and characteristics of quasicrystalline order in two-dimensional mixtures of point dipoles with two sorts of dipole moments. Despite the fact that the dipolar…
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…
The three-dimensional structures of the primary Al3Sc particles in an Al-2Sc master alloy were studied by synchrotron X-ray microtomography, scanning and transmission electron microscopy. The Al3Sc phases were found to be a single cube and…
Aluminum alloys, the most widely utilized lightweight structural materials, predominantly depend on coherent complex-structured nano-plates to enhance their mechanical properties. Despite several decades of research, the atomic-scale…
The Y33.33Ni66.67-xAlx system has been investigated in the region 0 <= x <= 33.3. The alloys were synthesized by induction melting. Phase occurrence and structural properties were studied by X-Ray powder Diffraction (XRD). The Al solubility…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
A local and medium range atomic structure model for the face centred icosahedral (fci) Mg25Y11Zn64 alloy has been established in a sphere of r = 27 A. The model was refined by least squares techniques using the atomic pair distribution…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
We report $^{23}$Na and $^{59}$Co nuclear magnetic (NMR) and quadrupolar resonance (NQR) studies for the $x=2/3$ phase of the lamellar oxide Na$_{x}$CoO$_{2}$, which allowed us to establish reliably the atomic order of the Na layers and…
A systematic study on $\alpha$-decay half-lives for the nuclei in the range $93\leq Z \leq 118$ is done by employing various versions of proximity potentials. To obtain the more reliable results, the deformation terms are included up to…
Isothermal ageing of plastically deformed Mg-Zn-Y alloys resulted in precipitation along {10-12} twin boundaries. The bulky precipitates formed had structures similar to those recently reported for the rod-like \beta' precipitates, but…
The self-assembly of two-dimensional dodecagonal quasicrystal (DDQC) from patchy particles are investigated by Brownian dynamics simulations. The patchy particle has a five-fold rotational symmetry pattern described by the spherical…
Nuclear clustering describes the appearance of structures resembling smaller nuclei such as alpha particles (4He nuclei) within the interior of a larger nucleus. While clustering is important for several well-known examples, much remains to…
The first analytic topologically non-trivial solutions in the (3+1)-dimensional gauged non-linear sigma model representing multi-solitons at finite volume with manifest ordered structures generating their own electromagnetic field are…
The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more stable than the empty Au14-cage, with a triplet ground…
We have located the global minimum for all lead clusters with up to 160 atoms using a glue potential to model the interatomic interactions. The lowest-energy structures are not face-centred cubic as suggested previously. Rather, for N<40…
The radio lobes of the radio galaxy Hercules A contain intriguing ring-like structures concentric with the jet axis. To investigate the occurrence of such features, we have used hydrodynamic simulations of jets with a range of Mach numbers…
For many years, quasicrystals were observed only as solid-state metallic alloys, yet current research is now actively exploring their formation in a variety of soft materials, including systems of macromolecules, nanoparticles and colloids.…
Possible crystalline modifications of chemical compounds at low temperatures correspond to local minima of the energy landscape. Determining these minima via simulated annealing is one method for the prediction of crystal structures, where…