Changeset e7e9231 in sasmodels for sasmodels/models/fcc_paracrystal.py
- Timestamp:
- Sep 16, 2018 9:32:26 PM (6 years ago)
- Branches:
- ticket_1156
- Children:
- 0b906ea
- Parents:
- 78f8308
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- 1 edited
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sasmodels/models/fcc_paracrystal.py
r6530963 re7e9231 3 3 #note - calculation requires double precision 4 4 r""" 5 Definition 6 ---------- 7 5 8 Calculates the scattering from a **face-centered cubic lattice** with 6 9 paracrystalline distortion. Thermal vibrations are considered to be 7 10 negligible, and the size of the paracrystal is infinitely large. 8 11 Paracrystalline distortion is assumed to be isotropic and characterized by 9 a Gaussian distribution. 10 11 Definition 12 ---------- 12 a Gaussian distribution. 13 13 14 14 The scattering intensity $I(q)$ is calculated as … … 23 23 is the paracrystalline structure factor for a face-centered cubic structure. 24 24 25 Equation (1) of the 1990 reference is used to calculate $Z(q)$, using 26 equations (23)-(25) from the 1987 paper for $Z1$, $Z2$, and $Z3$. 25 Equation (1) of the 1990 reference\ [#CIT1990]_ is used to calculate $Z(q)$, 26 using equations (23)-(25) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 27 $Z3$. 27 28 28 29 The lattice correction (the occupied volume of the lattice) for a … … 88 89 ---------- 89 90 90 Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 91 (Original Paper) 91 .. [#CIT1987] Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 92 (Original Paper) 93 .. [#CIT1990] Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 94 (Corrections to FCC and BCC lattice structure calculation) 92 95 93 Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 94 (Corrections to FCC and BCC lattice structure calculation) 96 Authorship and Verification 97 ---------------------------- 98 99 * **Author:** NIST IGOR/DANSE **Date:** pre 2010 100 * **Last Modified by:** Paul Butler **Date:** September 16, 2018 101 * **Last Reviewed by:** Paul Butler **Date:** September 16, 2018 95 102 """ 96 103
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