Form Factor:Ellipsoid of revolution

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Equations

For an ellipsoid of revolution, the size ('radius') along one direction will be distinct, whereas the other two directions will be identical. Assume an ellipsoid aligned along the z-direction (rotation about z-axis, i.e. sweeping the Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \phi} angle in spherical coordinates), such that the size in the xy-plane is Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_r} and along z is Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_z = \epsilon R_r} . A useful quantity is Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_{\theta}} , which is the distance from the origin to the surface of the ellipsoid for a line titled at angle Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \theta} with respect to the z-axis. This is thus the half-distance between tangent planes orthogonal to a vector pointing at the given Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \theta} angle, and provides the 'effective size' of the scattering object as seen by a q-vector pointing in that direction.

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} R_{\theta} & = \sqrt{ R_z^2 \cos^2 \theta + R_r^2(1- \cos^2\theta) } \\ & = R_r \sqrt{ 1 + (\epsilon^2-1) \cos^2 \theta } \\ & = R_r \sqrt{ \sin^2\theta + \epsilon^2 \cos^2 \theta } \end{alignat} }

The ellipsoid is also characterized by:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle V_{ell} = \frac{ 4\pi }{ 3 } R_z R_r^2 = \frac{ 4\pi }{ 3 } \epsilon R_r^3 }

Form Factor Amplitude

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle F_{ell}(\mathbf{q}) = \left\{ \begin{array}{c l} 3 \Delta\rho V_{ell} \frac{ \sin(q R_{\theta})-q R_{\theta} \cos(q R_{\theta}) }{ (q R_{\theta})^3 } & \mathrm{when} \,\, q\neq0\\ \Delta\rho V_{ell} & \mathrm{when} \,\, q=0 \\ \end{array} \right. }

Isotropic Form Factor Intensity

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle P_{ell}(q) = \left\{ \begin{array}{c l} 18 \pi \Delta\rho^2 V_{ell}^2 \int_{0}^{\pi} \left( \frac{ \sin(q R_{\theta}) - q R_{\theta} \cos(q R_{\theta}) }{ (q R_{\theta})^3 } \right)^2 \sin\theta\mathrm{d}\theta & \mathrm{when} \,\, q\neq0\\ 4\pi \Delta\rho^2 V_{ell}^2 & \mathrm{when} \,\, q=0\\ \end{array} \right. }

Sources

NCNR

From NCNR SANS Models documentation:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} P(q) & =\frac{ \rm{scale} }{ V_{ell} }(\rho_{ell}-\rho_{solv})^2 \int_0^1 f^2 [ qr_b(1+x^2(v^2-1))^{1/2} ] dx + bkg \\ f(z) & = 3 V_{ell} \frac{(\sin z - z \cos z)}{z^3} \\ V_{ell} & = \frac{4 \pi}{3} r_a r_b^2 \\ v & = \frac{r_a}{r_b} \\ \end{alignat} }
  • Parameters:
    1. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \rm{scale}}  : Intensity scaling
    2. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle r_a}  : rotation axis (Å)
    3. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle r_b}  : orthogonal axis (Å)
    4. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \rho_{ell}-\rho_{solv}}  : scattering contrast (Å−2)
    5. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \rm{background}}  : incoherent background (cm−1)

Pedersen

From Pedersen review, Analysis of small-angle scattering data from colloids and polymer solutions: modeling and least-squares fitting Jan Skov Pedersen, Advances in Colloid and Interface Science 1997, 70, 171. doi: 10.1016/S0001-8686(97)00312-6

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} & P(q, R, \epsilon)= \int_{0}^{\pi / 2} F_{sphere}^2[q,r(R,\epsilon,\alpha)] \sin \alpha d\alpha \\ & r(R,\epsilon,\alpha) = R \left( \sin^2\alpha + \epsilon^2 \cos^2 \alpha \right)^{1/2} \end{alignat} }

Where:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle F_{sphere} = \frac{ 3 \left[ \sin(qr)-qr \cos(qr) \right ] }{ (qr)^3 } }
  • Parameters:
    1. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R}  : radius (Å)
    2. Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon R}  : orthogonal size (Å)

IsGISAXS

From IsGISAXS, Born form factors:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle F_{ell}(\mathbf{q}, R, W, H, \alpha) = 2 \pi RWH \frac{ J_1 (\gamma) }{ \gamma } \sin_c(q_z H/2) \exp( i q_z H/2 )}
Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \gamma = \sqrt{ (q_x R)^2 + (q_y W)^2 } }
Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle V_{ell} = \pi RWH, \, S_{anpy} = \pi R W , \, R_{anpy} = Max(R,W) }

Where (presumably) J is a Bessel function:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle J_1(\gamma) = \frac{1}{\pi} \int_0^\pi \cos (\tau - x \sin \tau) \,\mathrm{d}\tau }

Sjoberg Monte Carlo Study

From Small-angle scattering from collections of interacting hard ellipsoids of revolution studied by Monte Carlo simulations and other methods of statistical thermodynamics, Bo Sjöberg, J.Appl. Cryst. (1999), 32, 917-923. doi 10.1107/S0021889899006640

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle F(\mathbf{q}) = 3 \frac{ \sin(qs) - qs \cos(qs) }{(qs)^3} }

where:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle s=\left[ a^2\cos^2\gamma + b^2(1-\cos^2\gamma) \right]^{1/2} }

where Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \gamma} is the angle between Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathbf{q}} and the a-axis vector of the ellipsoid of revolution (which also has axes b = c); Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \cos\gamma} is the inner product of unit vectors parallel to Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathbf{q}} and the a-axis. In some sense, s is the 'equivalent size' of a sphere that would lead to the scattering for a particular Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathbf{q}} : it is half the distance between the tangential planes that bound the ellipsoid, perpendicular to the Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathbf{q}} -vector.

Note that for Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle a = \epsilon b} :

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} s & = \left[ a^2\cos^2\gamma + b^2(1-\cos^2\gamma) \right]^{1/2} \\ & = \left[ b^2\epsilon^2\cos^2\gamma + b^2(1-\cos^2\gamma) \right]^{1/2} \\ & = b \left[ \epsilon^2\cos^2\gamma + (1-\cos^2\gamma) \right]^{1/2} \\ & = b \left[ \epsilon^2\cos^2\gamma + \sin^2\gamma \right]^{1/2} \\ & = b \left[ 1 + (\epsilon^2-1)\cos^2\gamma \right]^{1/2} \end{alignat} }


Derivations

Form Factor

For an ellipsoid oriented along the z-axis, we denote the size in-plane (in x and y) as Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_r} and the size along z as Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_z=\epsilon R_r} . The parameter Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon} denotes the shape of the ellipsoid: Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon=1} for a sphere, Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon<1} for an oblate spheroid and Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon>1} for a prolate spheroid. The volume is thus:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle V_{ell} = \frac{ 4\pi }{ 3 } R_z R_r^2 = \frac{ 4\pi }{ 3 } \epsilon R_r^3 }

We also note that the cross-section of the ellipsoid (an ellipse) will have coordinates Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle (r_{xy},z)} (where Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle r_{xy}} is a distance in the xy-plane):

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} r_{xy} & = R_r \sin\theta \\ z & = R_z \cos\theta = \epsilon R_r \cos\theta \end{alignat} }

Where Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \theta} is the angle with the z-axis. This lets us define a useful quantity, Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_{\theta}} , which is the distance to the point from the origin:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} R_{\theta} & = \sqrt{ (R_r \sin\theta)^2 + (R_z \cos \theta)^2 } \\ & = \sqrt{ R_r^2 \sin^2\theta + \epsilon^2 R_r^2 \cos^2 \theta } \\ & = R_r \sqrt{ \sin^2\theta + \epsilon^2 \cos^2 \theta } \\ \end{alignat} }

The form factor is:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} F_{ell}(\mathbf{q}) & = \int\limits_V e^{i \mathbf{q} \cdot \mathbf{r} } \mathrm{d}\mathbf{r} \\ & = \int_{\phi=0}^{2\pi}\int_{\theta=0}^{\pi}\int_{r=0}^{R_{\theta}} e^{i \mathbf{q} \cdot \mathbf{r} } r^2 \mathrm{d}r \sin\theta \mathrm{d}\theta \mathrm{d}\phi \\ & = 2 \pi \int_{0}^{\pi} \left [ \int_{0}^{R_{\theta}} e^{i \mathbf{q} \cdot \mathbf{r} } r^2 \mathrm{d}r \right ] \sin\theta \mathrm{d}\theta \\ \end{alignat}}

Imagine instead that we compress/stretch the z dimension so that the ellipsoid becomes a sphere:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} x^{\prime} & = x \\ y^{\prime} & = y \\ z^{\prime} & = z R_r/R_z=z/\epsilon \\ r^{\prime} & = \left| \mathbf{r}^{\prime} \right| = r \frac{R_r}{R_{\gamma}} \\ \mathrm{d}V & = \mathrm{d}x\mathrm{d}y\mathrm{d}z = \mathrm{d}x^{\prime}\mathrm{d}y^{\prime}\epsilon\mathrm{d}z^{\prime} = \epsilon \mathrm{d}V^{\prime} \end{alignat} }

This implies a coordinate transformation for the Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathbf{q}} -vector of:

Where Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_{\gamma}} is the Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_{\theta}} relation for a q-vector tilted at angle Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \gamma} with respect to the z axis. Considered in this way, the integral reduces to the form factor for a sphere. In effect, a particular Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathbf{q}} vector sees a sphere-like scatterer with size (length-scale) given by Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle R_{\gamma}} .

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} F_{ell}(\mathbf{q}) & = \epsilon \int_{\phi=0}^{2\pi}\int_{\theta=0}^{\pi}\int_{r^{\prime}=0}^{R_r} e^{i \mathbf{q}^{\prime} \cdot \mathbf{r}^{\prime} } r^{\prime 2} \mathrm{d}r^{\prime} \sin\theta \mathrm{d}\theta \mathrm{d}\phi \\ & = 3 \left( \frac{4 \pi}{3} \epsilon R_r^3 \right) \frac{ \sin(q^{\prime} R_r) - q^{\prime} R_r \cos(q^{\prime} R_r) }{ (q^{\prime} R_r)^3 } \end{alignat}}

We can then convert back:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} F_{ell}(\mathbf{q}) & = 3 V_{ell} \frac{ \sin(q R_{\gamma}) - q R_{\gamma} \cos(q R_{\gamma}) }{ (q R_{\gamma})^3 } \end{alignat} }

Isotropic Form Factor Intensity

To average over all possible orientations, we use:

Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \begin{alignat}{2} P_{ell}(q) & = \int_{\phi=0}^{2\pi}\int_{\theta=0}^{\pi} | F_{ell}(\mathbf{q}) |^2 \sin\theta\mathrm{d}\theta\mathrm{d}\phi \\ & = \int_{0}^{2\pi}\int_{0}^{\pi} \left| 3 V_{ell} \frac{ \sin(q R_{\theta}) - q R_{\theta} \cos(q R_{\theta}) }{ (q R_{\theta})^3 } \right|^2 \sin\theta\mathrm{d}\theta\mathrm{d}\phi \\ & = 9 V_{ell}^2 \int_{0}^{2\pi}\mathrm{d}\phi \int_{0}^{\pi} \left( \frac{ \sin(q R_{\theta}) - q R_{\theta} \cos(q R_{\theta}) }{ (q R_{\theta})^3 } \right)^2 \sin\theta\mathrm{d}\theta \\ & = 18 \pi V_{ell}^2 \int_{0}^{\pi} \left( \frac{ \sin(q R_{\theta}) - q R_{\theta} \cos(q R_{\theta}) }{ (q R_{\theta})^3 } \right)^2 \sin\theta\mathrm{d}\theta \end{alignat} }