25 research outputs found

    Python-based Simulation Tool for Kinetic Monte Carlo

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    Simulation tools are highly needed for testing or designing nanotechnology in university research projects.The problem in the current simulation tool used in our research, which is conducted by Prof.Garcia in MSE department at Purdue, is that users cannot observe the changing numbers of diffusivities during Vacancy Diffusion simulations between different materials. Also, there is no Graphic User Interface for the simulation tools.To solve the problem, the Virtual Kinetics of Materials Laboratory program is used to create the Graphic User Interface. Also, GTK+ toolkit has been used to create a pop-up window displaying updated diffusivities during the simulation. For user purpose, the pop-up window has been set to display a plot of diffusivity versus simulation time. During the programming process, several problems were found and solved by using GTK+ main loop and functions in Matplotlib plotting library. Also, there were also design problems about the Graphic User Interface on areas such as error checking and user experience. All the problems have been successfully solved, and the program has been tested and proved to be successful

    Comparative Evaluation Research on the Carrying Capacity of Multi-regional Distribution Network Owner Project Departments Based on Combined Weights

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    This paper proposes a comparative evaluation method for the carrying capacity of the owner's project department based on combined weights. This method first combines the current grid companies’ requirements for the construction of the owner’s project department and the current distribution network construction management issues to systematically construct the owner’s project department’s carrying capacity evaluation index system. Through comprehensive evaluation and collection of indicator-related data, it is determined based on the coefficient of variation method. The objective weight of the indicator is determined based on the analytic hierarchy process; then the integrated scoring model is used to comprehensively calculate the normalized indicator value and weight value to obtain the evaluation analysis result; finally, the method is verified by empirical analysis Effectiveness

    Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 perovskite solar cells

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    Mixtures of cations or halides with FAPbI3 (where FA is formamidinium) lead to high efficiency in perovskite solar cells (PSCs) but also to blue-shifted absorption and long-term stability issues caused by loss of volatile methylammonium (MA) and phase segregation. We report a deposition method using MA thiocyanate (MASCN) or FASCN vapor treatment to convert yellow δ-FAPbI3 perovskite films to the desired pure α-phase. NMR quantifies MA incorporation into the framework. Molecular dynamics simulations show that SCN- anions promote the formation and stabilization of α-FAPbI3 below the thermodynamic phase-transition temperature. We used these low-defect-density α-FAPbI3 films to make PSCs with >23% power-conversion efficiency and long-term operational and thermal stability, as well as a low (330 millivolts) open-circuit voltage loss and a low (0.75 volt) turn-on voltage of electroluminescence

    Comparative Evaluation Research on the Carrying Capacity of Multi-regional Distribution Network Owner Project Departments Based on Combined Weights

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    This paper proposes a comparative evaluation method for the carrying capacity of the owner's project department based on combined weights. This method first combines the current grid companies’ requirements for the construction of the owner’s project department and the current distribution network construction management issues to systematically construct the owner’s project department’s carrying capacity evaluation index system. Through comprehensive evaluation and collection of indicator-related data, it is determined based on the coefficient of variation method. The objective weight of the indicator is determined based on the analytic hierarchy process; then the integrated scoring model is used to comprehensively calculate the normalized indicator value and weight value to obtain the evaluation analysis result; finally, the method is verified by empirical analysis Effectiveness
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