equation of stateresonances of density of statesThe algorithm of the calculation of self-consistent atomic potential accounting for resonant states of electrons is developed by the Liberman model. The resonant states are related to quasi-stationary states of electrons and appear at the squeezing of ...
The calculation of thermodynamic properties for alkanes up to squalane is possible with both approaches, for some of which no highly accurate fundamental equation of state is available in the literature. For the first approach, the original parameter set was refitted with constraints guaranteeing ...
Equation of State An equation of state provides a relationship between density, pressure, and temperature, which we can express generally as ρ=f(p,T). The equation of state can be quite complex, and typically it will have dependencies on real-time variations in fluid properties. For crude ...
whereg(E)g(E)is the density of states (number of states per unit energy). This can be regarded as theLaplace transformof the functiong(E)g(E). Therefore, formally, the equation can beinverted, to writeg(E)g(E)as an integral involvingQ(β)Q(β): ...
In the Earth's crust, for example, the density of basaltic magma will be greater than that of crystallizing An-rich plagioclase so that density inversions can occur at 20–30 km depth. This depth increases the more An-rich the plagioclase. In the Earth's mantle, density inversions involving...
We calculate, using numerical methods, the Lyapounov exponent gamma(E) and the density of states rho(E) at energy E of a one-dimensional non-Hermitian Schroedinger equation with off-diagonal disorder. For the particular case we consider, both gamma(E) and rho(E) depend only on the modulus...
Here K is the wave vector component in the x−y plane, ρ σ (z, K, ω) is the local density of states (LDOS)9, 14, 15 and we refer to the weighting coefficients ρ NL±,σ (z, K, ω, z′) as the nonlocal densities of states (NLDOSs) of the left and right propagating...
Unified first-principles equation of states of deuterium-tritium mixtures in the global inertial confinement fusion region Accurate knowledge of the equation of state (EOS) of the deuterium-tritium (DT) mixtures is critically important for the inertial confinement fusion field... D Kang,Y Hou,Q Ze...
First, at homogeneous limit the local density becomes a constant, and then DFT naturally gives rise to the EOS inHelmholtztype (Chapman et al., 1989; Lemmon andJacobsen, 2005). Second, EOS can be developed with the knowledge of local structure throughVirial equation. Specifically, for the flu...
Combining the Tait equation with the phonon theory allows predicting the density of liquids up to the Gigapascal range ArticleOpen access07 March 2023 Introduction Ionic liquids (ILs) correspond to a large class of compounds with specific properties, such as high ionic conductivity, polarity, thermal...