Combining genetic algorithm and simulated annealing: A molecular geometry optimization study

We introduce a new hybrid approach to determine the ground state geometry of molecular systems. Firstly, we compared the ability of genetic algorithm (GA) and simulated annealing (SA) to find the lowest energy geometry of silicon clusters with six and 10 atoms. This comparison showed that GA exhibits fast initial convergence, but its performance deteriorates as it approaches the desired global extreme. Interestingly, SA showed a complementary convergence pattern, in addition to high accuracy. Our new procedure combines selected features from GA and SA to achieve weak dependence on initial parameters, parallel search strategy, fast convergence and high accuracy. This hybrid algorithm outperforms GA and SA by one order of magnitude for small silicon clusters (Si6 and Si10). Next, we applied the hybrid method to study the geometry of a 20-atom silicon cluster. It was able to find an original geometry, apparently lower in energy than those previously described in literature. In principle, our procedure can be applied successfully to any molecular system. © 1998 Elsevier Science B.V.

Doença de Castleman multicêntrica: Relato de um caso

Castleman's disease (CD) is an uncommon lymphoproliferative disorder that is morphologically and clinically heterogeneous. Both a localized benign variant and a multicentric form with systemic manifestations have been described. Although there are many published cases in literature, there are a few reports about this pathology in Brazil. We describe a patient with several manifestations of multicentric CD: lymphadenopathy, weight loss, fever, arthralgia, myalgia, and hepatosplenomegaly. Pathological examination of excised cervical lymph node revealed its rarest form: a CD of the hyaline-vascular type in multicentric presentation.

Reconfiguracao de sistemas de distribuicao radiais utilizando o criterio de queda de tensao

Network reconfiguration in distribution systems can be carried out by changing the status of sectionalizing switches and it is usually done for loss minimization and load balancing. In this paper it is presented an heuristic algorithm that accomplishes network reconfiguration for operation planning in order to obtain a configuration set whose configurations have the smallest active losses on its feeders. To obtain the configurations, it is used an approached radial load flow method and an heuristic proceeding based on maximum limit of voltage drop on feeders. Results are presented for three hypothetical systems largely known whose data are available in literature and a real system with 135 busses. In addition, it is used a fast and robust load flow which decreases the computational effort.