relation: https://khub.utp.edu.my/scholars/16381/
title: Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations
creator: Sultan, N.M.
creator: Albarody, T.M.B.
creator: Al-Jothery, H.K.M.
creator: Abdullah, M.A.
creator: Mohammed, H.G.
creator: Obodo, K.O.
description: In situ X-ray crystallography powder diffraction studies on beta silicon carbide (3C-SiC) in the temperature range 25�800 °C at the maximum peak (111) are reported. At 25 °C, it was found that the lattice parameter is 4.596 à , and coefficient thermal expansion (CTE) is 2.4 � (Formula presented.) /°C. The coefficient of thermal expansion along a-direction was established to follow a second order polynomial relationship with temperature (Formula presented.)). CASTEP codes were utilized to calculate the phonon frequency of 3C-SiC at various pressures using density function theory. Using the Gruneisen formalism, the computational coefficient of thermal expansion was found to be 2.2 � (Formula presented.) /°C. The novelty of this work lies in the adoption of two-step thermal expansion determination for 3C-SiC using both experimental and computational techniques. © 2022 by the authors.
publisher: MDPI
date: 2022
type: Article
type: PeerReviewed
identifier:   Sultan, N.M. and Albarody, T.M.B. and Al-Jothery, H.K.M. and Abdullah, M.A. and Mohammed, H.G. and Obodo, K.O.  (2022) Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations.  Materials, 15 (18).   ISSN 19961944     
relation: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85138822505&doi=10.3390%2fma15186229&partnerID=40&md5=7e2ec561ce33caca549bbc11f376b49a
relation: 10.3390/ma15186229
identifier: 10.3390/ma15186229