An official website of the United States government
Here's how you know
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
Simulation
of systems A–C at 298 K in the NσT ensemble
at different electric field strengths Ex: (a) unit cell volume as a function
of the applied electric field Ex; (b) polarization Px as a function of the applied electric field Ex.