English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

As a new area of research, nanoscience has been in development since the 1980s. Its main scope is the study of nanoscopic phenomena (1nm = 10-9m), where clusters refer to a new type of materials (nanoparticles), in the order of 2 to 10n (n = 6 or 7) atoms or molecules. These particles may be identical or related to two or more distinct species: monoatomic and monomolecular clusters, polyatomic and/or polymolecular clusters, or molecular clusters. Clusters consisting of a small amount of atoms (2-1000 atoms) are denominated nanoclusters. Such systems are adequate models of researching by the means of theoretical methodologies, as they have a smaller number of particles. On the other hand, they may present difficulties regarding experimental studies, such as structural determination.1 Theoretical studies concerning clusters are relevant and contribute to the interpretation of experimental measures. Among these studies, we may find those that determine the structures of atomic and/or molecular clusters, possibly using mathematical tools related to spatial geometry applied according to theoretical models. Besides, the quantitative study of potential energy provides us with the basis for the understanding of chemical and physical phenomena of atomic and molecular clusters.2 Particularly, the determination of isomers of greater cluster stability has ample relevance to the development of new materials, where the more stable structure of cluster corresponds to that of lower energy. In order to determine the cluster structure and energies, one should calculate the conformation of lower energy on the potential energy surface (PES), i. e. the global minimum (GM). Generally, the determination of a minimum is considered an optimization problem. The sheer number of isomers with diverse structures constitute one of the chief difficulties in the determination of the GM in PESs, where it may be verified that there is an almost exponential growth in the number of minimum structures related to the number of particles, i. e., the system size3,4. Therefore, optimization methods have been developed in order to contribute to the above-mentioned difficulties, whether they are biased or non-biased. The former utilize chemical or physical information regarding the material and initial conditions such as starting geometry, whilst the latter, in contrast, does not use previous information, and the initial geometry is instead defined at random and thus optimized until a minimum of lower energy is found. This current study proposes the application of nonbiased methods, since they may reduce the occurrence of problems such as the determination of local minima, which are recurring in other methods due to the imposition of certain types of geometries or of a PES region. The non-biased methods of optimization have two instruments that may be considered the most effective overall: 1) the exhaustive utilization of local minimization, and 2) the discovered structures of local minima, used as initial conditions to the comparison and selection of new structures to be minimized. Among

Classic Study on the Growth of Metal Clusters Al x NaN-x (3≤ N ≤ 55) Using Genetic Algorithms Modeled by the Gupta Potential