First principles calculation of the entropy of liquid aluminum

10Citations
Citations of this article
31Readers
Mendeley users who have this article in their library.

Abstract

The information required to specify a liquid structure equals, in suitable units, its thermodynamic entropy. Hence, an expansion of the entropy in terms of multi-particle correlation functions can be interpreted as a hierarchy of information measures. Utilizing first principles molecular dynamics simulations, we simulate the structure of liquid aluminum to obtain its density, pair and triplet correlation functions, allowing us to approximate the experimentally measured entropy and relate the excess entropy to the information content of the correlation functions. We discuss the accuracy and convergence of the method.

Cite

CITATION STYLE

APA

Widom, M., & Gao, M. (2019). First principles calculation of the entropy of liquid aluminum. Entropy, 21(2). https://doi.org/10.3390/e21020131

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free