Related papers: Structure prediction for cobalt-rich decagonal AlC…
Mechanisms that stabilize quasicrystals are much discussed but not finally resolved. We confirm the random tiling hypothesis and its predictions in a fully atomistic decagonal quasicrystal model by calculating the free energy and the phason…
By fitting to a database of ab-initio forces and energies, we can extract pair potentials for alloys, with a simple six-parameter analytic form including Friedel oscillations, which give a remarkably faithful account of many complex…
In the present investigation, the chemical leaching of the poly-grain Al65Cu15Co20 and Al65Cu20Co15 decagonal quasicrystalline alloy have been studied. The polished surfaces of as-cast alloys were leached with 10 mole NaOH solution for 0.5-…
We argue that 2D dodecagonal spherical quasicrystalls (QCs) will be discovered in the nearest future and investigate how the planar QC order becomes compatible with the spherical geometry. We show that the appearance of curvature-induced…
Tight-binding molecular dynamics simulated annealing technique is employed to search for the ground state geometries of silicon clusters containing 11-17 atoms. These studies revealed that layer formation is the dominant growth pattern in…
To investigate cylindrical ultrathin copper nanowires, we performed atomistic simulations using the steepest descent method. The stable structures of the cylindrical ultrathin copper nanowires were multi-shell packs composed of coaxial…
Frank-Kasper (F-K) phases form an important set of large-cell crystalline structures describing many inter-metallic alloys. They are usually described in term of their atomic environments, with atoms having $12, 14, 15$ and $16$ neighbours,…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
In this work, we present the formation and characterization of a quaternary (pseudo ternary) icosahedral quasicrystal in Al65Ga5Pd17Mn13 alloy. The X ray diffraction and transmission electron microscopy confirmed the formation of…
We suggest that the emergence of a large deformation in the magnesium, Mg, nuclides, especially at the Z = 12, N = 12, should be associated with an octahedral deformed shape. Within the framework of molecular geometrical symmetry, we find a…
Nuclear matter at large number of colors is necessarily in a solid phase. In particular holographic nuclear matter takes the form of a crystal of instantons of the flavor group. In this article we initiate the analysis of the…
A multi-channel algebraic scattering theory has been used to study the properties of nucleon scattering from 12C and of the sub-threshold compound nuclear states, accounting for properties in the compound nuclei to ~10 MeV. All compound and…
The carbon atom provides the backbone for the complex organic chemistry composing the building blocks of life. The physics of the carbon nucleus in its predominant isotope, $^{12}$C, is similarly full of multifaceted complexity. Some…
We investigate the structure of 13-particle clusters in binary alloys for various size ratios and different concentrations via MD simulation. Our goal is to predict which systems are likely to form local icosahedral structures when rapidly…
The algebraic cluster model is is applied to study cluster states in the nuclei 12C and 16O. The observed level sequences can be understood in terms of the underlying discrete symmetry that characterizes the geometrical configuration of the…
It is shown that tiling in icosahedral quasicrystals can also be properly described by cyclic twinning at the unit cell level. The twinning operation is applied on the primitive prolate golden rhombohedra, which can be considered a result…
We report the in situ formation of an ordered equilibrium decagonal Al-Pd-Mn quasicrystal overlayer on the 5-fold symmetric surface of an icosahedral Al-Pd-Mn monograin. The decagonal structure of the epilayer is evidenced by x-ray…
Using first-principles density functional theory calculations, we investigate a family of stable two-dimensional crystals with chemical formula $A_2B_2$, where $A$ and $B$ belong to groups IV and V, respectively ($A$ = C, Si, Ge, Sn, Pb;…
Soft particles are known to overlap and form stable clusters that self-assemble into periodic crystalline phases with density-independent lattice constants. We use molecular dynamics simulations in two dimensions to demonstrate that,…
First-principles density functional calculations reveal that aluminum can form planar chains in zigzag and ladder structures. The most stable one has equilateral triangular geometry with four nearest neighbors; the other stable zigzag…