Structure optimization and frozen phonons in LiNbO3

Fe b 19 99 Structure Optimization and Frozen Phonons in LiNbO

The equilibrium ground-state structure of LiNbO3 in the paraelectric and ferroelectric phases is fully optimized in a first-principles calculation using the full-potential linearized augmented plane wave method. The equilibrium volume, c/a ratio and all (four, in the ferroelectric phase) internal parameters are found to be in good agreement with the experimental data. Frozen phonon calculations...

Ab initio calculations of phonons in LiNbO3

economic optimization and energy consumption in tray dryers

دراین پروژه به بررسی مدل سازی خشک کردن مواد غذایی با استفاده از هوای خشک در خشک کن آزمایشگاهی نوع سینی دار پرداخته شده است. برای آنالیز انتقال رطوبت در طی خشک شدن به طریق جابجایی، یک مدل لایه نازک برای انتقال رطوبت، مبتنی بر معادله نفوذ فیک در نظر گفته شده است که شامل انتقال همزمان جرم و انرژی بین فاز جامد و گاز می باشد. پروفایل دما و رطوبت برای سه نوع ماده غذایی شامل سیب زمینی، سیب و موز در طی...

Evaluation of Frozen Phonons Models for Multislice Calculation of TDS

The thermo diffuse scattering (TDS) of electrons results in a diffuse background below the Bragg reflections. Accounting for this background is a key point in quantitative treatment of diffraction data [1], for example: the potential or charge density reconstruction [2]. The recent interest in TDS theories and calculations was caused by a wide spread of high resolution STEM imaging [3], because...

Cytoplasmic structure in rapid-frozen axons

Turtle optic nerves were rapid-frozen from the living state, fractured, etched, and rotary shadowed. Stereo views of fractured axons show that axoplasm consists of three types of longitudinally oriented domains. One type consists of neurofilament bundles in which individual filaments are interconnected by a cross-bridging network. Contiguous to neurofilament domains are domains containing micro...