Heterogeneity of grain boundary properties in Cu2ZnSnS4: A first-principles study

Interaction of vacancies with a grain boundary in aluminum: A first-principles study

We present a theoretical study of the interaction of vacancies with a tilt grain boundary in aluminum based on the density functional theory. The grain boundary volume expansion and vacancy induced contraction are calculated and compared for the nearest-neighbor atoms, and the former is found to be smaller than the latter. The formation energy of a vacancy placed at various layers in the grain ...

First principles study on vacancy formation and diffusion behaviors in α-Al2O3 grain boundary

a study of baudrillards ideas in brian moores fiction

پیدایش مرحله ی جدیدی از نظام سرمایه داری بعد از جنگ جهانی دوم همزمان است با ظهور عصر اطلاعات و رسانه جمعی. در چنین جامعه ای سیر آزادانه ی نشانه ها در فضای بی اساس مجازی بر سرعت فرسایش واقعیت می افزاید. به اعتقاد بودریار، فقدان واقعیت به واسطه ی شبیه سازی آن و تولید حاد واقعیت (hyperreality) پنهان خواهد ماند. این پژوهش بر آن است که جامعه فرانوین توصیف شده در سه رمان بریان مور را با توجه به نظر...

First-Principles Study of Structure, Electronic and Optical Properties of HgSe in Zinc Blende (B3) Phase

In this paper, the structural parameters, energy bands structure, density ofstates and charge density of HgSe in the Zincblende(B3) phase have been investigated.The calculations have been performed using the Pseudopotential method in theframework of density functional theory (DFT) by Quantum Espresso package. Theresults for the electronic density of states (DOS) show tha...

A New Representation of Grain Boundary Properties

The energy and mobility of grain boundaries in aluminum are reviewed briefly based on both experimental and simulation work. A novel approach to representation of grain boundary properties is given that emphasizes the interaction between different texture components. The motivation for this work is to explain the development of special textures during recrystallization such as the cube componen...