High Temperature & Pressure Corner and Edge Sharing in Anorthite

Introduction

The two illustrations below are movies which illustrate the change in sharing statistics for anorthite (CaAl₂Si₂O₈) through pressure. The initial frame is at 0.2 GPa and the subsequent frames are at 1.6, 5.0, 10.0, 25.6, 40, 58, and 76 GPa. All runs are at 4000 K.

The data for each run was generated using 1300 particles and the run length was 30 picoseconds.

Movies

The first movie is the amount of corner sharing exhibited by Anorthite at high temperature and pressure. The intesection of the two horizontal axes illustrates what two configurations are sharing corners. For example, at the intersection of 5 and 6, that shows that a ^[5]T was sharing a corner with a ^[6]T; T is either Silicon or Aluminum.

The second movie is the amount of edge sharing exhibited by Anorthite at high temperature and pressure. The intesection of the two horizontal axes illustrates what two configurations are sharing edges. For example, at the intersection of 5 and 6, that shows that a ^[5]T was sharing an edge with a ^[6]T; T is either Silicon or Aluminum.