in recent years there has been considerable interest in the structures, energies and thermodynamics of(gan)4 clusters and it is the subject of many experimental and theoretical studies because of theirfundamental importance in chemical and physical process. all calculation of this study is carried outby gaussian 98. geometry optimization for (gan)4 nanocluster are be fulfilled at b3lyp, b1lypan...

In this paper multi-objective genetic algorithms were employed for Pareto approach optimization of turboprop engines. The considered objective functions are used to maximize the specific thrust, propulsive efficiency, thermal efficiency, propeller efficiency and minimize the thrust specific fuel consumption. These objectives are usually conflicting with each other. The design variables consist ...

This article provides the dataset of operating conditions of a hybrid organic Rankine plant generated by the optimization procedure employed in the research article "A genetic optimization of a hybrid organic Rankine plant for solar and low-grade energy sources" (Scardigno et al., 2015) [1]. The methodology used to obtain the data is described. The operating conditions are subdivided into two s...

A novel approach for enclosing all heterogeneous and reactive azeotropes in multi-component mixtures is presented. The thermodynamic conditions for azeotropy form a system of nonlinear equations. A deterministic global optimization approach is introduced in which the global optimization problem may contain multiple global minima and there is a one-to-one correspondence between each global minim...

The thermodynamic descriptions of the perovskite phase SrZrO3 and the TbBr3-KBr molten salt system were carried out using the available experimental information. Special attention was paid to the structural behavior of SrZrO3 and the decomposition of K3TbBr6 at low temperature, respectively, to illustrate how to select an appropriate thermodynamic model based on crystal structure and chemistry ...

In the current work, different methods for optimization of turbine blade internal cooling are investigated, to achieve higher cyclic efficiency and output power for a typical gas turbine. A simple two-dimensional model of C3X blade is simulated and validated with available experimental data. The optimization process is performed on this model with two different methods. The first method is ...

The Bi–In–Sn–Zn system is an important alloy system in lead-free soldering. Thermodynamic descriptions for the ternary systems Bi–In–Sn, Bi–In–Zn, Bi–Sn–Zn and In–Sn–Zn are optimized, using the CALPHAD method and combined to obtain a description of the quaternary Bi–In–Sn–Zn. All available experimental data from the literature are taken into consideration in the optimization. Calculated liquidi...

Applications of the Newton-Raphson optimization technique to molecular mechanics calculations are discussed. The theory for applying this method is developed in terms of the spectroscopic Wilson S vectors for stretching, bending and torsional internal coordinates. An exact method for calculating the geometries of transition states for interconversion processes is shown to follow directly from t...