Related papers: Optimization of self-interstitial clusters in 3C-S…
We present a comprehensive first-principles investigation of carbon self-interstitial defects in diamond, ranging from mono- to hexa-interstitial complexes. By quantum mechanical density functional theory, empowered by interatomic potential…
The problem addressed here can be concisely formulated as follows: given a stable surface orientation with a known reconstruction and given a direction in the plane of this surface, find the atomic structure of the steps oriented along that…
The effect of different surface defects on the atomic and electronic structures of cubic $\beta$-SiC(110) surface are studied by means of a first principles calculation based on Density Functional Theory using the SIESTA code. In the…
We consider the dynamics of pattern formation in a system of point defects under sustained irradiation within the framework of the rate theory. In our study we generalize the standard approach taking into account a production of defects by…
In this article we show that the reconstructions of semiconductor surfaces can be determined using a genetic procedure. Coupled with highly optimized interatomic potentials, the present approach represents an efficient tool for finding and…
Strong lensing galaxy clusters provide a unique and powerful way to test simulation-derived structure predictions that follow from $\Lambda$ Cold Dark Matter ($\Lambda$CDM) cosmology. Specifically, the relative alignments of the dark matter…
This work extends our Object Kinetic Monte Carlo model for neutron irradiation-induced nanostructure evolution in Fe-C alloys to consider higher irradiation temperatures. The previous study concentrated on irradiation temperatures < 370 K.…
The four most stable structures of Ni$_N$ clusters with $N$ from 2 to 150 have been determined using a combination of the embedded-atom method in the version of Daw, Baskes and Foiles, the {\it variable metric/quasi-Newton} method, and our…
We summarize the recent results of our survey of the nearest nuclear star clusters. The purpose of the survey is to understand nuclear star cluster formation mechanisms and constrain the presence of black holes using adaptive optics…
We present a genetic algorithm developed (GA) to optimize molecular AF_6 cluster configurations with respect to their energy. The method is based on the Darvin's evolutionary theory: structures with lowest energies survive in a system of…
Crystal defects can confine isolated electronic spins and are promising candidates for solid-state quantum information. Alongside research focusing on nitrogen vacancy centers in diamond, an alternative strategy seeks to identify new spin…
We take up from a library of 12 galaxy clusters featuring extended X-ray observations of their Intra Cluster Plasma (ICP), analyzed with our entropy-based Supermodel. Its few intrinsic parameters - basically, the central level and the outer…
Density functional and quantum Monte Carlo calculations challenge the existence of a unique ground state structure for certain Si clusters. For Si clusters with more than a dozen atoms the lowest ten isomers are close in energy and for some…
Defect qubits in 4H-SiC are outstanding candidates for numerous applications in the rapidly emerging field of quantum technology. Carbon clusters can act as emission sources that may appear after thermal oxidation of 4H-SiC or during…
Ab initio Perturbed Ion (PI) calculations are reported for neutral stoichiometric (MgO)n clusters (n<14). An extensive number of isomer structures was identified and studied. For the isomers of (MgO)n (n<8) clusters, a full geometrical…
Motivation: Human cancer is caused by the accumulation of somatic mutations in tumor suppressors and oncogenes within the genome. In the case of oncogenes, recent theory suggests that there are only a few key "driver" mutations responsible…
Positron lifetime spectroscopy was used to study native vacancy defects in semi-insulating silicon carbide. The material is shown to contain (i) vacancy clusters consisting of 4--5 missing atoms and (ii) Si vacancy related negatively…
Self-interacting dark matter (SIDM) is an alternative to the standard collisionless cold dark matter model (CDM), allowing for interactions between the dark matter particles through the introduction of a self-scattering cross-section.…
The unique quantum properties of the nitrogen-vacancy (NV) center in diamond have motivated efforts to find defects with similar properties in silicon carbide (SiC), which can extend the functionality of such systems not available to the…
For community detection problem, spectral clustering is a widely used method for detecting clusters in networks. In this paper, we propose an improved spectral clustering (ISC) approach under the degree corrected stochastic block model…