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EinsteinModel

Struct EinsteinModel 

Source
pub struct EinsteinModel {
    pub theta_e: f64,
    pub n_atoms: f64,
}
Expand description

Einstein specific heat model.

Cv = 3NR * (Theta_E/T)^2 * exp(Theta_E/T) / (exp(Theta_E/T) - 1)^2

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§theta_e: f64

Einstein temperature Theta_E (K).

§n_atoms: f64

Number of atoms per formula unit.

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impl EinsteinModel

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pub fn new(theta_e: f64, n_atoms: f64) -> Self

Create a new Einstein model.

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pub fn molar_cv(&self, temperature: f64) -> f64

Molar heat capacity Cv (J/(mol*K)) at temperature T.

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