Glassy dynamics and nucleation in liquids and colloids

液体和胶体中的玻璃态动力学和成核

基本信息

批准号：
341451-2012
负责人：
SaikaVoivod, Ivan
金额：
$ 1.46万
依托单位：
Memorial University of Newfoundland
依托单位国家：
加拿大
项目类别：
Discovery Grants Program - Individual
财政年份：
2015
资助国家：
加拿大
起止时间：
2015-01-01 至 2016-12-31
项目状态：
已结题

来源：
https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=572260
关键词：
Glassy dynamics nucleation liquids colloids

项目摘要

Why does water freeze so easily, while silica, an analogue to water in several ways, resists freezing and instead forms a glass? How can one use external electric fields to increase the ability of self-assembling colloids to form a single crystal? How can we use computer simulation to optimize the antimicrobial properties of peptides derived from cod? These are some of the questions we pose as we advance our long-term research goal of understanding some general phenomena of simple and tetrahedral liquids: crystal nucleation, glassy dynamics and the interplay between the two, as well as a possible liquid-liquid critical point in liquids like water and silica that can explain their anomalous properties and the existence of multiple glassy phases. These goals also extend to understanding colloidal dynamics and self-assembly. As a secondary aim, we wish to apply the theoretical and computational techniques developed for liquids to macromolecular systems of biological and medical interest. The results of the proposed research may help others understand what the possible structural underpinnings are for glassy liquid behaviour, a hitherto unresolved problem. They may help in the design colloids that either form stable, crystal-free glasses, or crystallize to a single crystal structure, like the cubic diamond structure that holds much promise for photonics applications. Reducing the computational burden required for simulating proteins will help speed up the process of computer-aided drug design.

为什么水很容易冻结，而二氧化硅是多种方式与水的类似物，抗拒冻结并形成玻璃？如何使用外部电场来提高自组装胶体形成单晶的能力？我们如何使用计算机仿真来优化从COD衍生的肽的抗菌特性？这些是我们提出长期研究目标的一些问题，即了解简单和四面体液体的某些一般现象：晶体成核，玻璃状动力学和两者之间的相互作用，以及可能解释其异常特性的液体和二氧化硅的液体液态临界点。这些目标还扩展到理解胶体动态和自组装。作为次要目的，我们希望将开发的液体开发的理论和计算技术应用于生物学和医学兴趣的大分子系统。拟议研究的结果可能有助于其他人了解玻璃液体行为的可能结构基础是什么，这是一个迄今尚未解决的问题。它们可能有助于设计形成稳定，无晶体玻璃或结晶为单晶结构的胶体，例如对于光子应用具有很大希望的立方钻石结构。减少模拟蛋白质所需的计算负担将有助于加快计算机辅助药物设计的过程。