r""" Definition ---------- This model calculates the SAS signal of a phase separating solution under spinodal decomposition. The scattering intensity $I(q)$ is calculated as .. math:: I(q) = I_{max}\frac{(1+\gamma/2)x^2}{\gamma/2+x^{2+\gamma}}+B where $x=q/q_0$ and $B$ is a flat background. The characteristic structure length scales with the correlation peak at $q_0$. The exponent $\gamma$ is equal to $d+1$ with d the dimensionality of the off-critical concentration mixtures. A transition to $\gamma=2d$ is seen near the percolation threshold into the critical concentration regime. References ---------- H. Furukawa. Dynamics-scaling theory for phase-separating unmixing mixtures: Growth rates of droplets and scaling properties of autocorrelation functions. Physica A 123,497 (1984). Authorship and Verification ---------------------------- * **Author:** Dirk Honecker **Date:** Oct 7, 2016 """ import numpy as np from numpy import inf, errstate name = "spinodal" title = "Spinodal decomposition model" description = """\ I(q) = scale ((1+gamma/2)x^2)/(gamma/2+x^(2+gamma))+background List of default parameters: scale = scaling gamma = exponent x = q/q_0 q_0 = correlation peak position [1/A] background = Incoherent background""" category = "shape-independent" # pylint: disable=bad-whitespace, line-too-long # ["name", "units", default, [lower, upper], "type", "description"], parameters = [["gamma", "", 3.0, [-inf, inf], "", "Exponent"], ["q_0", "1/Ang", 0.1, [-inf, inf], "", "Correlation peak position"] ] # pylint: enable=bad-whitespace, line-too-long def Iq(q, gamma=3.0, q_0=0.1): """ :param q: Input q-value :param gamma: Exponent :param q_0: Correlation peak position :return: Calculated intensity """ with errstate(divide='ignore'): x = q/q_0 inten = ((1 + gamma / 2) * x ** 2) / (gamma / 2 + x ** (2 + gamma)) return inten Iq.vectorized = True # Iq accepts an array of q values def random(): pars = dict( scale=10**np.random.uniform(1, 3), gamma=np.random.uniform(0, 6), q_0=10**np.random.uniform(-3, -1), ) return pars demo = dict(scale=1, background=0, gamma=1, q_0=0.1)