3 years ago

Evaluation of phase state and rotational viscosity of fast response liquid crystals using a fully atomistic molecular dynamics

Evaluation of phase state and rotational viscosity of fast response liquid crystals using a fully atomistic molecular dynamics
Li Xuan, Quanquan Mu, Qidong Wang, Chengliang Yang, Dayu Li, Zhaoliang Cao, Xinghai Lu, Yonggang Liu, Lishuang Yao, Zenghui Peng, Shaoxin Wang, Guiyang Zhang

Rational design of liquid crystals (LCs) with excellent phase state and rotational viscosity has been a crucial technique for response speed improvement of LC wavefront corrector. A complete process for theoretically evaluating the phase state and rotational viscosity of fast response LCs using a fully atomistic molecular dynamics is reported. Predicted trends in molecular order, phase-transition temperature between metastable states and rotational viscosity show excellent agreement with experimental results. We also demonstrate that overestimation of the attraction both between and within molecules in the general Amber force field mainly leads to a systematic shift in the phase-transition temperature, rotational viscosity and figure-of-merit for fast response LCs. With further optimisations of intermolecular potential, simulation procedure and data processing, this fully atomistic simulation will be a useful evaluation method of response performance of LC materials.

Publisher URL: http://www.tandfonline.com/doi/full/10.1080/02678292.2017.1302009

DOI: 10.1080/02678292.2017.1302009

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.