Nitrogen and hydrogen isotope compositions and solubility in silicate melts in equilibrium with reduced (N+H)-bearing fluids at high pressure and temperature: Effects of melt structure

2010 ◽  
Vol 95 (7) ◽  
pp. 987-999 ◽  
Author(s):  
B. O. Mysen ◽  
M. L. Fogel
Keyword(s):  
High Pressure ◽  
Temperature Effects ◽  
Hydrogen Isotope ◽  
Silicate Melts ◽  
Melt Structure ◽  
High Pressure And Temperature ◽  
Pressure And Temperature Effects

High pressure and temperature effects on the molecular crystal 2-amino-5-methyl-1,3,4-thiadiazole

2018 ◽  
Vol 49 (10) ◽  
pp. 1713-1721 ◽  
Author(s):  
Thiago A. de Toledo ◽  
Ricardo R. F. Bento ◽  
Thiago R. Cunha ◽  
Paulo S. Pizani
Keyword(s):  
High Pressure ◽  
Temperature Effects ◽  
Molecular Crystal ◽  
High Pressure And Temperature ◽  
Pressure And Temperature Effects

scholarly journals FP-LAPW investigation of mechanical and thermodynamic properties of Na2X (X = S and Se) under pressure and temperature effects

2015 ◽  
Vol 33 (3) ◽  
pp. 649-659 ◽  
Author(s):  
Kada Bidai ◽  
Mohammed Ameri ◽  
Djillali Bensaid ◽  
Nour-Eddine Moulay ◽  
Y. Al-Douri ◽  
...  
Keyword(s):  
High Pressure ◽  
Thermal Expansion ◽  
Thermodynamic Properties ◽  
Elastic Constants ◽  
Ground State ◽  
Temperature Effects ◽  
Lattice Parameter ◽  
High Pressure And Temperature ◽  
Pressure And Temperature Effects ◽  
Good Agreement

Abstract Structural, elastic and thermodynamic properties of sodium chalcogenides (Na2X, X = S, Se) have been calculated using FP-APW+1o method. The ground state lattice parameter, bulk moduli have been obtained. The Zener anisotropy factor, Poisson’s ratio, shear modulus, Young’s modulus, have also been calculated. The calculated structural and elastic constants are in good agreement with the available data. We also determined the thermodynamic properties, such as heat capacities CV and CP, thermal expansion α , entropy S, and Debye temperature θD, at various pressures and temperatures for Na2X compounds. The elastic constants under high pressure and temperature are also calculated and elaborated.

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