TY  - JOUR
PB  - MDPI
SN  - 19961944
Y1  - 2022///
VL  - 15
JF  - Materials
A1  - Sultan, N.M.
A1  - Albarody, T.M.B.
A1  - Al-Jothery, H.K.M.
A1  - Abdullah, M.A.
A1  - Mohammed, H.G.
A1  - Obodo, K.O.
UR  - https://www.scopus.com/inward/record.uri?eid=2-s2.0-85138822505&doi=10.3390%2fma15186229&partnerID=40&md5=7e2ec561ce33caca549bbc11f376b49a
AV  - none
TI  - Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations
ID  - scholars16381
KW  - Computation theory; Density functional theory; Silicon carbide; Thermal expansion; X ray crystallography
KW  -  CASTEP; Coefficient-of-thermal expansion; DFT calculation; Diffraction studies; First-principal calculations; Highest temperature; In-situ X-ray diffraction; Powder diffraction; Thermal expansion isotropy; X- ray diffractions
KW  -  X ray diffraction
N2  - In situ X-ray crystallography powder diffraction studies on beta silicon carbide (3C-SiC) in the temperature range 25â??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 Ã? (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 Ã? (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.
N1  - cited By 6
IS  - 18
ER  -