Electron anions and the glass transition temperature

被引：14

作者：

Johnson, Lewis E. ^{[1
]}

Sushko, Peter V. ^{[1
]}

Tomota, Yudai ^{[2
]}

Hosono, Hideo ^{[2
]}

机构：

[1] Pacific Northwest Natl Lab, Phys Sci Div, Phys & Computat Sci Directorate, Richland, WA 99354 USA

[2] Tokyo Inst Technol, Mat Res Ctr Element Strategy, Midori Ku, Yokohama, Kanagawa 2268503, Japan

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2016年 / 113卷 / 36期

基金：

日本科学技术振兴机构;

关键词：

amorphous materials; glass transition; electrides; molecular dynamics; density functional theory; CALCIUM ALUMINOSILICATE GLASSES; ALUMINATE GLASSES; ROOM-TEMPERATURE; MOLECULAR-DYNAMICS; STABLE ELECTRIDE; SOLVATED ELECTRONS; AMMONIA-SYNTHESIS; FORMING ABILITY; METALLIC STATE; HYDRIDE IONS;

D O I：

10.1073/pnas.1606891113

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Properties of glasses are typically controlled by judicious selection of the glass-forming and glass-modifying constituents. Through an experimental and computational study of the crystalline, molten, and amorphous [Ca12Al14O32](2+) center dot (e(-))(2), we demonstrate that electron anions in this system behave as glass modifiers that strongly affect solidification dynamics, the glass transition temperature, and spectroscopic properties of the resultant amorphous material. The concentration of such electron anions is a consequential control parameter: It invokes materials evolution pathways and properties not available in conventional glasses, which opens a unique avenue in rational materials design.

引用

页码：10007 / 10012

页数：6

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