The hidden force opposing ice compression

• Main Authors: Zhang, Xi, Sun, Changqing, Zheng, Weitao
• Other Authors: School of Electrical and Electronic Engineering
• Format: Article
• Language: English
• Published: 2013
• Subjects: DRNTU::Engineering::Electrical and electronic engineering
• Online Access: https://hdl.handle.net/10356/101710; http://hdl.handle.net/10220/11132
• Institution: Nanyang Technological University

Coulomb repulsion between the unevenly-bound bonding “–” and nonbonding “:” electron pairs in the “O2−:H+/p–O2−” hydrogen bond is shown to originate the anomalies of ice under compression. Consistency between experimental observations, density functional theory and molecular dynamics calculations co...