Structural and mechanical properties of thorium carbide

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4917597· OSTI ID:22490192

Aynyas, Mahendra ^[1]; Pataiya, Jagdeesh ^[2]; Arya, B. S.; Singh, A.; Sanyal, S. P. ^[3]

---

1. Department of Physics, C.S.A. Govt. P.G. College, Sehore-466001 (India)
2. Sagar Institute of Research & Technology, Bhopal-462041 (India)
3. Department of Physics, Barkatullah University, Bhopal-462026 (India)

We have investigated the cohesive energies, equilibrium lattice constants, pressure-volume relationship, phase transition pressure and elastic constant for thorium carbide using an interionic potential theory with modified ionic charge, which includes Coulomb screening effect due to d-electrons. This compound undergoes structural phase transition from NaCl (B{sub 1}) to CsCl (B{sub 2}) structure at high pressure 40 GPa. We have also calculated bulk, Young, and shear moduli, Poisson ratio and anisotropic ratio in NaCl (B{sub 1}) structure and compared them with other experimental and theoretical results which show a good agreement.

• OSTI ID: 22490192
• Journal Information: AIP Conference Proceedings, Vol. 1665, Issue 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANISOTROPY
CESIUM CHLORIDES
COMPARATIVE EVALUATIONS
ELASTICITY
EQUILIBRIUM
LATTICE PARAMETERS
PHASE TRANSFORMATIONS
POISSON RATIO
PRESSURE DEPENDENCE
PRESSURE RANGE GIGA PA
SHEAR
SHEAR PROPERTIES
SODIUM CHLORIDES
TENSILE PROPERTIES
THORIUM CARBIDES
YOUNG MODULUS