Related papers: Packing Transitions in Nanosized Li Clusters
The even-even superheavy nuclei with $104 \leqslant Z \leqslant 126$ and $N\leqslant 258$ have been investigated using a microscopic five-dimensional collective Hamiltonian (5DCH) based on constrained triaxial relativistic…
We present a comprehensive density functional theory (DFT) study of Mo-doped silver clusters Ag$_n$Mo ($n=1$-14), focusing on their structural, electronic, and bonding properties. Global optimization reveals an evolution from planar and…
We model the quasicrystal-related structure CaCd$_6$, a bcc packing of icosahedral clusters containing tetrahedra which undergo orientational orderings at T<100 K. We use general schemes to evaluate an effective Hamltonian for…
Gold clusters Aun of size n = 2 to 12 atoms were studied by the density-functional theory with an ab-initio pseudopotential and a generalized gradient approximation. Geometry optimizations starting from a number of initial candidate…
Quantum phase transitions between competing equilibrium shapes of nuclei with an odd number of nucleons are explored using a microscopic framework of nuclear energy density functionals and a particle-boson core coupling model. The boson…
The crystal structure of Na0.5CoO2, determined by powder neutron diffraction, is reported. The structure consists of layers of edge-shared CoO6 octahedra in a triangular lattice, with Na ions occupying ordered positions in the interleaving…
We consider a Hamiltonian system made of $N$ classical particles moving in two dimensions, coupled via an {\it infinite-range interaction} gauged by a parameter $A$. This system shows a low energy phase with most of the particles trapped in…
The nucleation of quasicrystals remains a fundamental puzzle, primarily due to the absence of a periodic translational template. Here, we demonstrate that phasons - hidden degrees of freedom unique to quasiperiodic order - drive diverse…
Linearized Coupled Cluster Doubles (LinCCD) often provides near-singular energies in small-gap systems that exhibit static correlation. This has been attributed to the lack of quadratic $T_2^2$ terms that typically balance out small energy…
Nested sampling was employed to investigate adsorption equilibria on the truncated-octahedral Lennard-Jones nanocluster LJ$_{38}$ while systematically varying adsorbate-surface well depth and Lennard-Jones size parameters. Evaluation of the…
The proper design principles are essential for the efficient development of superionic conductors. However, the existing design principles are mainly proposed from the perspective of crystal structures. In this work, the face-centered cubic…
The work addresses the isotopic shift of nuclear radii for the even-even $^{36-52}$Ca isotopes using the interacting boson model (IBM) that includes the mixing from normal and intruder configurations. We obtain a good agreement between the…
We have identified a large number of possible very low mass members of the cluster IC2391 based primarily on their location in an I versus (R-I)_C CM diagram. We have obtained new photometry and low resolution ($\Delta \lambda = 2.7$ \AA)…
In the present work we attempt to study the cluster model in the transition metal region. The spectrum fitting method is studied for the selected nuclei (88,90,92^Sr, 92,94^Zr, 98,100^Mo, 100,102,104, 106^Ru, 108,110^Pd and…
A few experiments have already detected the presence of icosahedral superclusters in undercooled liquids, confirming a possible homogeneous nucleation of such entities as suggested by Franck. These superclusters survive in melts above the…
Room-temperature Coulomb blockade of charge transport through composite nanostructures containing organic inter-links has recently been observed. A pronounced charging effect in combination with the softness of the molecular links implies…
Nanocrystalline Ni can adopt a hexagonal close-packed (hcp) structure,which does not appear in a bulk form under any conditions.Structural studies found its $>$ 20% expansion of volume per atom compared with face-centered cubic (fcc)…
Transition metal compounds with complex crystal structures tend to demonstrate interesting magnetic coupling resulting in unusual magnetic properties. In this work, the structural and magnetic characterization of a single crystal of the…
We address the crystallization of monodisperse hard spheres in terms of the properties of finite- size crystalline clusters. By means of large scale event-driven Molecular Dynamics simulations, we study systems at different packing…
The clustering of nucleons in nuclei is a widespread but elusive phenomenon for study. Here, we wish to highlight the variety of theoretical approaches, and demonstrate how they are mutually supportive and complementary. On the experimental…