Work

Molecular Dynamics Simulation of Strontium Titanate

Year: 2010

Type: article

Abstract: The molecular dynamics method is used to simulate the thermophysical properties of SrTiO 3 thermoelectric material in the temperature range 300–2200 K. The Morse-type potential functions added to the Busing–Ida type potential for interatomic interaction are used in the simulation. The interatomic potential parameters are determined by fitting to the experimental data of lattice parameters with temperature and the data reported in literature. The linear thermal expansion coefficient, heat capacity and lattice contributions to the thermal conductivity are analyzed. The results agree with the data reported in the literature.

Source: Chinese Physics Letters

DOI: 10.1088/0256-307x/27/2/026501

Authors: Seetawan Tosawat, Wong-ud-dee Gjindara, Thanachayanont Chanchana, Amornkitbumrung Vittaya

Institutions: Sakon Nakhon Rajabhat University, Thailand National Metal and Materials Technology Center, Thailand Science Park, Khon Kaen University

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: City University of Hong Kong, Natural Science Foundation of Guangdong Province, University of Hong Kong, Fundamental Research Funds for the Central Universities

OpenAlex ID: W1972469782

FWCI: 0.28

Cites: 19

Cited by: 14

Related to: 10