def __thermal_bulk_modulus(self, T,V,params):
gr = self.__grueneisen_parameter(params['V_0']/V, params)
Debye_T = self.__debye_temperature(params['V_0']/V, params)
K_th = 3.*params['n']*constants.gas_constant*T/V * gr * \
((1. - params['q_0'] - 3.*gr)*debye.debye_fn(Debye_T/T)+3.*gr*(Debye_T/T)/(np.exp(Debye_T/T) - 1.)) # EQ B5
return K_th
def __thermal_shear_modulus(self, T, V, params):
gr = self.__grueneisen_parameter(params['V_0']/V, params)
Debye_T = self.__debye_temperature(params['V_0']/V, params)
G_th= 3./5. * ( self.__thermal_bulk_modulus(T,V,params) - \
6*constants.gas_constant*T*params['n']/V * gr * debye.debye_fn(Debye_T/T) ) # EQ B10
return G_th