GOALI: Collaborative Research: Understanding Composition-Structure-Chemical Durability Relationships in Multicomponent Oxide Glasses: Influence of Mixed Network Former Effect

目标：合作研究：了解多组分氧化物玻璃中的成分-结构-化学耐久性关系：混合网络形成器效应的影响

• 批准号: 1508001
• 负责人: Jincheng Du
• 金额: $ 31.76万
• 依托单位: University of North Texas
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-01 至 2021-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1508001&HistoricalAwards=false
• 关键词: GOALI; Collaborative; Research; Understanding; Composition

NON-TECHNICAL DESCRIPTION: Advanced technical glasses are key in many areas of our lives, and although glass is rightly perceived as a robust material, it is nevertheless subject to corrosion due to interaction with water and the environment thereby limiting the functionality of this highly versatile material. A deeper understanding of glass corrosion is thus highly relevant to industry in the development of technical glasses, in enabling applications such as nuclear waste management, and in developing novel biomaterials. This project aims at understanding the fundamental science governing corrosion of multicomponent silicate glasses with mixed glass formers in aqueous solutions, achieved through an integrated combination of experimental studies and computer simulation approaches. Successful completion of this project is expected to lay the foundation of new fundamental knowledge for the understanding of composition-structure-property relationships in glass corrosion, with tangible implications on the glass and packaging industries. By training undergraduate and graduate students in glass science and engineering, the lacuna of talent in the pipeline for the US glass/materials science industry is being reduced. Students in this project are receiving part of their training at Corning, Incorporated, a company specializing in technical glass materials, or in a European research environment. The education activities build interest in students at the middle and high school level, in addition to the training of undergraduate and graduate science and engineering students.TECHNICAL DETAILS: While glass corrosion has been studied for a long time, it is riddled with complexity that makes a holistic understanding deceptively difficult. The current understanding in this field is based primarily on empirical data, and there is still no complete consensus on the basic mechanism of glass dissolution that applies to a wide composition space. Therefore, there is exigent need to develop solid fundamental understanding of the connection between chemical composition, atomic/molecular structure and chemical durability of glasses in order to address crucial and scientifically challenging problems. Accordingly, the project aims at combining the strengths of experimental studies and atomistic computer simulations to understand the connection between composition, molecular structure, and dissolution behavior of SiO2-rich multicomponent oxide glasses comprising multiple network forming oxides (B2O3, Al2O3, P2O5). The general focus on silicate systems helps to connect with real-world multicomponent glasses, and provides a suitable platform for (some) known structural trends to connect with durability properties. The project is expected to unearth the fundamental science governing the corrosion of glasses and deliver experimental data along with structural descriptors and energy functions that can be used to develop theoretical models predicting the chemical durability of glasses.

非技术描述：先进的技术玻璃是我们生活中许多领域的关键，尽管玻璃被正确地认为是一种坚固的材料，但由于与水和环境的相互作用，它仍然会受到腐蚀，从而限制了这种高度通用材料的功能。因此，对玻璃腐蚀的更深入了解与工业在技术玻璃的开发，核废料管理等应用以及开发新型生物材料方面具有高度相关性。该项目旨在了解多组分硅酸盐玻璃与混合玻璃形成剂在水溶液中腐蚀的基础科学，通过实验研究和计算机模拟方法的综合结合实现。该项目的成功完成有望为理解玻璃腐蚀中的组成-结构-性质关系奠定新的基础知识，并对玻璃和包装行业产生切实影响。通过培养玻璃科学和工程专业的本科生和研究生，美国玻璃/材料科学行业人才的缺口正在缩小。该项目的学生将在康宁公司（一家专门从事技术玻璃材料的公司）或欧洲研究环境中接受部分培训。除了培养本科生和研究生理工科学生外，还通过教育活动培养初中和高中学生的兴趣。技术问题：虽然玻璃腐蚀的研究已经有很长一段时间了，但它充满了复杂性，使整体理解变得困难。目前对该领域的认识主要基于经验数据，对于适用于广泛组成空间的玻璃溶解基本机制仍然没有完全共识。因此，迫切需要对玻璃的化学组成、原子/分子结构和化学耐久性之间的联系建立坚实的基本理解，以解决关键的和具有科学挑战性的问题。因此，该项目旨在结合实验研究和原子计算机模拟的优势，以了解包含多种网络形成氧化物（B2 O3、Al 2 O3、P2 O 5）的富含SiO2的多组分氧化物玻璃的组成、分子结构和溶解行为之间的联系。对硅酸盐系统的普遍关注有助于与现实世界的多组分玻璃联系起来，并为（一些）已知的结构趋势提供了一个合适的平台，以与耐久性性能联系起来。该项目预计将挖掘出控制玻璃腐蚀的基础科学，并提供沿着实验数据以及可用于开发预测玻璃化学耐久性的理论模型的结构描述符和能量函数。