Related papers: Stability mechanism of cuboctahedral clusters in U…
Since in DFT+U there are multiple self-consistent electronic solutions, the so called metastable states, the elastic constants computed from stress-vs-strain will be incorrect if some of the strained configurations fall into a different…
The mass spectra of gas-phase clusters in cluster beams have a rich structure where the relative heights of the peaks compared to peaks corresponding to clusters of neighbor sizes reveal the stability of the clusters as a function of the…
A general thermodynamic argument shows that multi-component matter in full chemical equilibrium, with uniform entropy per baryon, is generally stably stratified. This is particularly relevant for neutron stars, in which the effects of…
We present a new instability driven by a combination of coagulation and radial drift of dust particles. We refer to this instability as ``coagulation instability" and regard it as a promising mechanism to concentrate dust particles and…
This study contributes to the body of work on instabilities in the homogeneous cooling system focusing on clustering in the multiphase gas-particle system. The critical system size for the onset of instability, $L^*_c$, is studied via three…
We study stability and dynamics of the single cylindrically symmetric solitary structures and dipolar solitonic molecules in spatially nonlocal media. The main properties of the solitons, vortex solitons, and dipolar solitons are…
We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n=4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with…
We investigate the structural properties of a two-dimensional system of ellipsoidal particles carrying a linear quadrupole moment in their center. These particles represent a simple model for a variety of uncharged, non-polar conjugated…
Understanding the mechanism of nucleation of the stable phase inside the metastable parent phase during a first order phase transition has been a subject of outstanding interest in natural science. The problem becomes even more challenging…
Despite the rapid pace of computationally and experimentally discovering new two-dimensional layered materials, a general criteria for a given compound to prefer a layered structure over a non-layered one remains unclear. Articulating such…
We use high-throughput first-principles sampling to investigate competitive factors that determine the crystal structure of high-entropy alloys (HEAs) and the energetics dependence of the stable phase on the atomic configuration of fully…
The (111), (110), and (001) surfaces properties of PuO2 are studied by using density-functional theory+U method. The total-energy static calculations determine the relative order of stability for low-index PuO2 surfaces, namely,…
The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest…
Pure carbon clusters have received considerable attention for a long time. However, fundamental questions such as what the smallest stable carbon cluster dication is remain unclear. Here, we investigated the stability and fragmentation…
We derive a variational principle for the dynamical stability of a cluster as a gas sphere in a box. Newtonian clusters are always dynamically stable and, for relativistic clusters, the relation between dynamical and thermodynamical…
The backbone of nonequilibrium thermodynamics is the stability structure, where entropy is related to a Lyapunov function of thermodynamic equilibrium. Stability is the background of natural selection: unstable systems are temporary, and…
This study investigates the structural stability of ionized gold clusters of sizes ranging from 22 to 100 atoms, contrasting compact, cage and planar structures. While it is well known that neutral clusters in the upper part of this size…
Defects are crucial in determining a variety of material properties especially in low dimensions. In this work, we study point defects in monolayer alpha-phase Ruthenium (III) chloride (alpha-RuCl3), a promising candidate to realize quantum…
We demonstrate that fractional cubic-quintic nonlinear Schr\"odinger equation,characterized by its L\'evy index, maintains ring-shaped soliton clusters ("necklaces") carrying orbital angular momentum. They can be built, in the respective…
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calculations based on density functional theory, the structural…