Simulating complex crystal structures using the phase-field crystal model

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Temperature Tunability of Dielectric/ Liquid Crystal / Dielectric Photonic Crystal Structures

Recently, photonic crystals doped with liquid crystal (LC) material havegained much research interest. In this article new ternary one-dimensional photoniccrystal introduced and studied. The liquid crystal layer of 5CB and 5PCH is sandwichedby two dielectric layers. For the first time, we use four structures SiO2/UCF35/CaF2,SiO2/5CB/CaF2, NFK51/UCF35/NPSK53 and NFK51/5CB/NPSK53. The effect ofte...

متن کامل

Generation of crystal structures using known crystal structures as analogues

This analysis attempts to answer the question of whether similar molecules crystallize in a similar manner. An analysis of structures in the Cambridge Structural Database shows that the answer is yes - sometimes they do, particularly for single-component structures. However, one does need to define what we mean by similar in both cases. Building on this observation we then demonstrate how this ...

متن کامل

Derivation of the phase-field-crystal model for colloidal solidification.

The phase-field-crystal model is by now widely used in order to predict crystal nucleation and growth. For colloidal solidification with completely overdamped individual particle motion, we show that the phase-field-crystal dynamics can be derived from the microscopic Smoluchowski equation via dynamical density-functional theory. The different underlying approximations are discussed. In particu...

متن کامل

Formulation of phase-field energies for microstructure in complex crystal structures

The unusual properties of many multifunctional materials originate from a structural phase transformation and consequent martensitic microstructure. Phase-field models are typically used to predict the formation of microstructural patterns and subsequent evolution under applied loads. However, formulating a phase-field energy with the correct equilibrium crystal structures and that also respect...

متن کامل

An efficient algorithm for solving the phase field crystal model

We present and discuss the development of an unconditionally stable algorithm used to solve the evolution equations of the Phase Field Crystal (PFC) model. This algorithm allows for an arbitrarily large algorithmic time step. As the basis for our analysis of the accuracy of this algorithm, we determine an effective time step in Fourier space. We then compare our calculations with a set of repre...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical Review Materials

سال: 2017

ISSN: 2475-9953

DOI: 10.1103/physrevmaterials.1.060801