Polyamorphism and Structural Transformation in Liquid B2O3 under Compression: Insight from Visualization of Molecular Dynamics Data

• المؤلفون الرئيسيون: Mai, Thi Lan, Nguyen, Thu Nhan, Nguyen, Van Hong
• التنسيق: مقال
• اللغة: English
• منشور في: H. : ĐHQGHN 2017
• الموضوعات: Polyamorphism; molecular dynamics simulation; B2O3; structure
• الوصول للمادة أونلاين: http://repository.vnu.edu.vn/handle/VNU_123/56089

The structural order, polyamorphism and structural change of liquid B2O3 at 3000 K and in a 0-40 GPa pressure range are investigated by molecular dynamics simulation. Results show that the network structure of liquid B2O3 is formed from BOx basic structural units (x=3, 4). At ambient pressure, most...