Study of high-pressure thermophysical properties of orthocarbonate Sr<sub>3</sub>CO<sub>5</sub> using deep learning molecular dynamics simulations-Reference-Cited by-同舟云学术

Study of high-pressure thermophysical properties of orthocarbonate Sr₃CO₅ using deep learning molecular dynamics simulations

Published:2024 Issue:7 Volume:26 Page:6351-6361
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Xin-Xuan¹^ORCID,Song Ting¹,Lei Zhen-Shuai²,Sun Xiao-Wei¹,Tian Jun-Hong¹,Liu Zi-Jiang¹

Affiliation:

1. School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, China

2. Faculty of Science, Wuhan University of Technology, Wuhan 430079, China

Abstract

Using deep learning molecular dynamics simulations, we predicted the elastic and thermodynamic properties of Sr3CO5-Cmcm and Sr3CO5-I4/mcm under high-temperature and high-pressure conditions.

Funder

Natural Science Foundation of Gansu Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04833K

Reference53 articles.

1. N.Biedermann , Carbonate-silicate reactions at conditions of the Earth’s mantle and the role of carbonates as possible trace-element carriers, Doctoral dissertation , Universität Potsdam , 2020

2. The deep carbon cycle and melting in Earth's interior

3. Graphite formation by carbonate reduction during subduction

4. Strontianite in Coral Skeletal Aragonite

5. Strontium and aragonite-calcite precipitation

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