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：高级技术眼镜在我们生活的许多领域都是关键，尽管玻璃被正确地被视为强大的材料，但是由于与水的互动以及环境的互动，它仍然会腐蚀，从而限制了这种高度通用的功能材料。因此，对玻璃腐蚀的更深入的了解与技术眼镜的开发，在实现核废料管理等应用以及开发新型生物材料等应用方面高度相关。该项目旨在了解通过实验研究和计算机仿真方法的综合组合实现的多组分硅玻璃与混合玻璃板在水溶液中的基础科学。预计该项目的成功完成将奠定新的基本知识的基础，以理解玻璃腐蚀中构图结构的关系，并对玻璃和包装行业产生明显的影响。通过培训玻璃科学与工程学的本科生和研究生，正在减少美国玻璃/材料科学行业的人才渠道。该项目的学生正在康宁（Corning），Incorporated，一家专门从事技术玻璃材料或欧洲研究环境中的公司接受培训的一部分。教育活动除了对本科和研究生科学和工程专业的学生的培训外，在中学和高中阶整体理解在看似困难。当前在该领域的理解主要基于经验数据，并且仍然对适用于广泛组成空间的玻璃溶解的基本机制尚无完全共识。因此，需要对化学成分，原子/分子结构和玻璃化学耐用性之间的联系发展有牢固的基本了解，以解决至关重要的和科学挑战性的问题。因此，该项目旨在结合实验研究和原子计算机模拟的优势，以了解组成，分子结构和富含SIO2的多个多组分氧化物玻璃的溶解行为之间的联系，该氧化物玻璃包括多个网络形成氧化物（B2O3，AL2O3，P2O5）。对硅酸盐系统的一般关注有助于与现实世界的多组分眼镜连接，并为（某些）已知的结构趋势提供了合适的平台，可与耐用性属性连接。预计该项目将发掘有关玻璃腐蚀并提供实验数据以及结构描述符和能量功能的基础科学，这些科学可用于开发可预测玻璃化学耐用性的理论模型。