论文标题
硅胶玻璃中变形诱导拓扑各向异性的起源
The Origin of Deformation Induced Topological Anisotropy in Silica Glass
论文作者
论文摘要
具有网络结构的氧化物眼镜在日常生活中无处不在。通常,它们被视为各向同性材料。但是,结构各向异性可以通过在机械场的处理并导致独特的材料特性诱导。不幸的是,由于缺乏局部原子尺度分析方法,导致各向异性的微观机制仍然难以捉摸。本文使用分子动力学模拟生成的玻璃杯的新分析方法,在机械载荷下对二氧化硅(Sio $ _2 $)玻璃的拓扑各向异性提供了微观理解。二氧化硅玻璃中观察到的各向异性源自SIO $ _4 $四面体的首选方向,在短距离和中范围内,可以通过机械载荷进行控制。这些发现阐明了二氧化硅网络的变形方案与所得各向异性结构之间的关系(涉及持续和瞬态效应),从而为设计具有定制材料特性的氧化物玻璃设计提供了重要的见解。
Oxide glasses with a network structure are omnipresent in daily life. Often, they are regarded as isotropic materials; however, structural anisotropy can be induced through processing in mechanical fields and leads to unique materials properties. Unfortunately, due to the lack of local, atomic-scale analysis methods, the microscopic mechanisms leading to anisotropy remained elusive. Using novel analysis methods on glasses generated by molecular dynamics simulations, this paper provides a microscopic understanding of topological anisotropy in silica (SiO$_2$) glass under mechanical loads. The anisotropy observed in silica glass originates from a preferred orientation of SiO$_4$ tetrahedra at both short- and medium-range levels that can be controlled via the mode of mechanical loading. The findings elucidate the relation between the deformation protocol and the resulting anisotropic structure of the silica network (involving both persistent and transient effects), and thus provide important insight for the design of oxide glasses with tailored materials properties.