Janus helices: From fully attractive to hard helices

Author:

Dal Compare Laura1ORCID,Romano Flavio12ORCID,Wood Jared A.34ORCID,Widmer-Cooper Asaph34ORCID,Giacometti Achille12ORCID

Affiliation:

1. Dipartimento di Scienze Molecolari e Nanosistemi, Università Ca’ Foscari di Venezia Campus Scientifico, Edificio Alfa 1 , Via Torino 155, 30170 Venezia Mestre, Italy

2. European Centre for Living Technology (ECLT) Ca’ Bottacin 2 , 3911 Dorsoduro Calle Crosera, 30123 Venice, Italy

3. ARC Centre of Excellence in Exciton Science, School of Chemistry, University of Sydney 3 , Sydney, New South Wales 2006, Australia

4. The University of Sydney Nano Institute, University of Sydney 4 , Sydney, New South Wales 2006, Australia

Abstract

The phase diagram of hard helices differs from its hard rods counterpart by the presence of chiral “screw” phases stemming from the characteristic helical shape, in addition to the conventional liquid crystal phases also found for rod-like particles. Using extensive Monte Carlo and Molecular Dynamics simulations, we study the effect of the addition of a short-range attractive tail representing solvent-induced interactions to a fraction of the sites forming the hard helices, ranging from a single-site attraction to fully attractive helices for a specific helical shape. Different temperature regimes exist for different fractions of the attractive sites, as assessed in terms of the relative Boyle temperatures, that are found to be rather insensitive to the specific shape of the helical particle. The temperature range probed by the present study is well above the corresponding Boyle temperatures, with the phase behaviour still mainly entropically dominated and with the existence and location of the various liquid crystal phases only marginally affected. The pressure in the equation of state is found to decrease upon increasing the fraction of attractive beads and/or on lowering the temperature at fixed volume fraction, as expected on physical grounds. All screw phases are found to be stable within the considered range of temperatures with the smectic phase becoming more stable on lowering the temperature. By contrast, the location of the transition lines do not display a simple dependence on the fraction of attractive beads in the considered range of temperatures.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Australia Research Council

Erasmus+

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3