摘要
Science在创刊125周年之际,将"玻璃态物质的本质是什么"这一科学问题列为125个最具挑战性的科学问题之一.由于玻璃态物质的结构不确定性,玻璃性质的预测一直面临很多困难,这严重阻碍了功能玻璃的快速研发.目前高性能功能玻璃的研发主要靠经验和试错,存在研发周期长、成本高和效率低等问题.本文从无机玻璃的亚稳态组成图出发,采用热力学法预测玻璃的形成区,提出将玻璃形成区中的玻璃态化合物作为"玻璃基因",并用"玻璃基因"计算了不同体系玻璃的性质,计算结果与实验结果基本一致.此外,"玻璃基因"也可预测"锗反常"现象."玻璃基因"的提出对玻璃结构和性质预测有重要的意义,为玻璃科学的发展提供了新思路.
On its 125th anniversary edition, the journal, Science, listed "what is the nature of the glassy state?" as one of the 125 most challenging scientific issues facing modern science. Predicting glass properties is challenging because of the complexity of the glassy materials, which significantly imped the development of functional glasses. At present, the development of high-performance functional glasses relies heavily on prior experience and trial-and-error, resulting in long experimental periods, high costs, and low efficiency. Materials genome engineering is expected to accelerate glass research. Based on the metastable composition diagram, this paper proposes that the neighboring congruent glassy compounds in the glass composition diagram can be regarded as glass genes.The glass-forming region of a Ba O-Ga2O3-GeO2 glass system was calculated by thermodynamic method using the compound’s thermodynamic data. The properties of different glass systems were calculated using the glass gene approach, giving theoretical calculation results consistent with experimental data in the literature. Furthermore, the germanate anomaly can be predicted by the glass gene approach. This work may provide an effective way to decode the glass genome and develop functional glasses rapidly and at low cost.
作者
钱国权
唐国武
钱奇
姜中宏
杨中民
QIAN GuoQuan;TANG GuoWu;QIAN Qi;JIANG ZhongHong;YANG ZhongMin(State Key Laboratory of Luminescent Materials and Devices,Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques,and Guangdong Engineering Technology Research and Development Center of Special Optical Fiber Materials and Devices,South China University of Technology,Guangzhou 510640,China;School of Physics and Optoelectronics,South China University of Technology,Guangzhou 510640,China)
出处
《中国科学：技术科学》
EI
CSCD
北大核心
2020年第5期582-592,共11页
Scientia Sinica(Technologica)
基金
广东省“珠江人才计划”本土创新科研团队(编号:2017BT01X137)
广东省科技计划项目重点领域研发计划(编号:2018B090904001)资助。
关键词
玻璃基因
材料基因工程
亚稳态组成图
玻璃性质
玻璃结构
锗酸盐玻璃
glass genome
materials genome engineering
metastable phase diagram
glass structure
glass properties
germanate glass
