Лекция молодого ученого Постдока Верма Викаса «Экспериментальное исследование и моделирование термодинамических свойств чистых элементов и веществ и экстраполяция свойств в многокомпонентные системы»

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Приглашаем Вас посетить на лекцию молодого ученого Верма Викаса в рамках Месяца выступлений Постдоков 2019 (часть 2)

Дата: 11.06.2019    
Время: 14:00-15:30
Место проведения: аудитория Б-607

язык: английский    
CAE    Метаматериалы и посткремниевая электроника

Название лекции: «Experimental investigation and development of models of thermodynamic properties of pure elements and pure substances and their extrapolations into multicomponent systems» / «Экспериментальное исследование и моделирование термодинамических свойств чистых элементов и веществ и экстраполяция свойств в многокомпонентные системы»

Abstract: present project aim is to develop knowledge, methods and tools to enable efficient and safe design of experiments and physically thermodynamic model of pure elements and pure substances (Ag, Cu, Sb, Bi) to predict material properties, microstructural evolution and phases in multicomponent systems.  The present research will accelerate and enrich design and optimization of new materials and thermodynamic databases which demands a very high number of experiments and calculations. Relevance of the proposed research project is to understand the generation of phases in multicomponent systems by developing and optimizing the experimental and thermodynamic modelling parameters. It is known that most experimental data available today was acquired more than 50 years ago, with the technology available at the time. There is, therefore, a systematic need to check these data and to provide new results, filling gaps in the experimental knowledge and increasing the reliability of these data.  The development of better computational resources in the last decades, however changed this situation. There is the need, therefore, to test these physically-based models for efficiency using modern computers. Still one of the key points of the new models implementations is crucial need in the accurate experimental and theoretical data. Previous models could not describe accurately real physical behaviour of materials observed in the experiment. While using new models we have more possibilities to make more accurate descriptions. This requires accurate review of the existing data from one side and from another side the large amount of data is frequently lacking or absent. Consequently, this requires not only review of the existing data but lots of experimental investigations. For this reason, essential attention in this project will be payed for the experimental investigations. The first goal of the present project will be to put together a working experimental and computational thermodynamic model for pure elements and pure substances, via scientific approaches and methods. Experiments methods like Differential scanning calorimetry (DSC), drop calorimetry, and drop solution methods, adiabatic calorimetry) Differential scanning calorimetry (DSC), drop calorimetry, and drop solution methods are the important techniques which will help in investigating and measuring heat capacity, enthalpy of fusion measurements, enthalpy increment, enthalpy of mixing in liquid phase, enthalpies of transformation of pure elements and pure substances and their extrapolations into multicomponent systems. Physically realistic models like T3 Debye rule, Einstein model, CALPHAD method would be used for a sound basis for extrapolating the heat capacity to temperatures below the melting point, data for the gas phase in terms of molecular constants and electronic energy levels.

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