Simulation of structural phase transition in NaNO3 and CaCO3

Physics and Chemistry of Minerals

Volumn 28, Issue 8, 2001, Pages 586-590

  Liu, Jianjun ^a   Duan, C G ^b   Ossowski, M M ^c   Mei, W N ^a   Smith, R W ^b   Hardy, J R ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b UNIVERSITY OF NEBRASKA AT OMAHA   (United States)

^c NONE

Author keywords

Gordon Kim potentials; Molecular dynamics simulation; Phase transition

Indexed keywords

CALCITE; CALCIUM; CRYSTAL STRUCTURE; PHASE TRANSITION; SODIUM;

EID: 0034814103     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002690100191     Document Type: Article

References (20)

1. Position and thermal parameters of oxygen atoms in sodium nitrate
2. Position and thermal parameters of oxygen atoms in calcite
3. Roothaan-Hartree-Fock atomic wavefunctions
4. Orientation-translation and orientation-orientation correlations in neopentane plastic crystal. Computer simulation
5. Neutron diffraction study of the tricritical orientational order/disorder phase transition in calcite at 1260 K
6. Anomalous inelastic neutron scattering from calcite
7. Structural fluctuations and the order-disorder phase transition in calcite
8. Theory for the forces between closed-shell atoms and molecules
9. Orientational order-disorder phase transition in calcite
10. 3
11. 3 and their transitions
12. Structure determination of sodium nitrate near the order-disorder phase transition
13. 4
14. A molecular dynamics study of orientational disordering in crystalline sodium nitrate
15. Electronic population analysis on LCAO-MO molecular wave functions.I
16. High-temperature enthalpy at the orientational order-disorder transition in calcite: Implications for the calcite/aragonite phase equilibrium
17. 3
18. Anion rotational disorder in sodium nitrate
19. The phase transitions in calcite and sodium nitrate