Changeset b297ba9 in sasmodels for sasmodels/models/spinodal.py
- Timestamp:
- Mar 20, 2019 5:03:50 PM (5 years ago)
- Branches:
- master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 4e28511
- Parents:
- 0d362b7
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- 1 edited
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sasmodels/models/spinodal.py
r07646b6 rb297ba9 3 3 ---------- 4 4 5 This model calculates the SAS signal of a phase separating system 6 undergoing spinodal decomposition. The scattering intensity $I(q)$ is calculated 7 as 5 This model calculates the SAS signal of a phase separating system 6 undergoing spinodal decomposition. The scattering intensity $I(q)$ is calculated 7 as 8 8 9 9 .. math:: 10 10 I(q) = I_{max}\frac{(1+\gamma/2)x^2}{\gamma/2+x^{2+\gamma}}+B 11 11 12 where $x=q/q_0$, $q_0$ is the peak position, $I_{max}$ is the intensity 13 at $q_0$ (parameterised as the $scale$ parameter), and $B$ is a flat 14 background. The spinodal wavelength, $\Lambda$, is given by $2\pi/q_0$. 12 where $x=q/q_0$, $q_0$ is the peak position, $I_{max}$ is the intensity 13 at $q_0$ (parameterised as the $scale$ parameter), and $B$ is a flat 14 background. The spinodal wavelength, $\Lambda$, is given by $2\pi/q_0$. 15 15 16 The definition of $I_{max}$ in the literature varies. Hashimoto *et al* (1991) 17 define it as 16 The definition of $I_{max}$ in the literature varies. Hashimoto *et al* (1991) 17 define it as 18 18 19 19 .. math:: 20 20 I_{max} = \Lambda^3\Delta\rho^2 21 22 whereas Meier & Strobl (1987) give 21 22 whereas Meier & Strobl (1987) give 23 23 24 24 .. math:: 25 25 I_{max} = V_z\Delta\rho^2 26 26 27 27 where $V_z$ is the volume per monomer unit. 28 28 29 The exponent $\gamma$ is equal to $d+1$ for off-critical concentration 30 mixtures (smooth interfaces) and $2d$ for critical concentration mixtures 31 (entangled interfaces), where $d$ is the dimensionality (ie, 1, 2, 3) of the 32 system. Thus 2 <= $\gamma$ <= 6. A transition from $\gamma=d+1$ to $\gamma=2d$ 33 is expected near the percolation threshold. 29 The exponent $\gamma$ is equal to $d+1$ for off-critical concentration 30 mixtures (smooth interfaces) and $2d$ for critical concentration mixtures 31 (entangled interfaces), where $d$ is the dimensionality (ie, 1, 2, 3) of the 32 system. Thus 2 <= $\gamma$ <= 6. A transition from $\gamma=d+1$ to $\gamma=2d$ 33 is expected near the percolation threshold. 34 34 35 As this function tends to zero as $q$ tends to zero, in practice it may be 36 necessary to combine it with another function describing the low-angle 35 As this function tends to zero as $q$ tends to zero, in practice it may be 36 necessary to combine it with another function describing the low-angle 37 37 scattering, or to simply omit the low-angle scattering from the fit. 38 38 … … 41 41 42 42 H. Furukawa. Dynamics-scaling theory for phase-separating unmixing mixtures: 43 Growth rates of droplets and scaling properties of autocorrelation functions. 43 Growth rates of droplets and scaling properties of autocorrelation functions. 44 44 Physica A 123, 497 (1984). 45 45 46 H. Meier & G. Strobl. Small-Angle X-ray Scattering Study of Spinodal 47 Decomposition in Polystyrene/Poly(styrene-co-bromostyrene) Blends. 46 H. Meier & G. Strobl. Small-Angle X-ray Scattering Study of Spinodal 47 Decomposition in Polystyrene/Poly(styrene-co-bromostyrene) Blends. 48 48 Macromolecules 20, 649-654 (1987). 49 49 50 T. Hashimoto, M. Takenaka & H. Jinnai. Scattering Studies of Self-Assembling 51 Processes of Polymer Blends in Spinodal Decomposition. 50 T. Hashimoto, M. Takenaka & H. Jinnai. Scattering Studies of Self-Assembling 51 Processes of Polymer Blends in Spinodal Decomposition. 52 52 J. Appl. Cryst. 24, 457-466 (1991). 53 53 … … 68 68 69 69 List of default parameters: 70 70 71 71 Imax = correlation peak intensity at q_0 72 72 background = incoherent background … … 74 74 q_0 = correlation peak position [1/A] 75 75 x = q/q_0""" 76 76 77 77 category = "shape-independent" 78 78 … … 100 100 101 101 def random(): 102 """Return a random parameter set for the model.""" 102 103 pars = dict( 103 104 scale=10**np.random.uniform(1, 3),
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