Changeset b0c4271 in sasmodels for sasmodels/models/bcc_paracrystal.py
- Timestamp:
- Oct 5, 2016 7:40:41 PM (8 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 63e9cd8
- Parents:
- bb2d187
- File:
-
- 1 edited
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sasmodels/models/bcc_paracrystal.py
r0bef47b rb0c4271 1 #bcc paracrystal model2 #note model title and parameter table are automatically inserted3 #note - calculation requires double precision4 1 r""" 2 Definition 3 ---------- 4 5 5 Calculates the scattering from a **body-centered cubic lattice** with 6 6 paracrystalline distortion. Thermal vibrations are considered to be negligible, 7 7 and the size of the paracrystal is infinitely large. Paracrystalline distortion 8 8 is assumed to be isotropic and characterized by a Gaussian distribution. 9 10 Definition11 ----------12 9 13 10 The scattering intensity $I(q)$ is calculated as … … 23 20 is the paracrystalline structure factor for a body-centered cubic structure. 24 21 25 Equation (1) of the 1990 reference is used to calculate $Z(q)$, using 26 equations (29)-(31) from the 1987 paper for $Z1$, $Z2$, and $Z3$. 22 Equation (1) of the 1990 reference\ [#CIT1990]_ is used to calculate $Z(q)$, 23 using equations (29)-(31) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 24 $Z3$. 27 25 28 26 The lattice correction (the occupied volume of the lattice) for a … … 79 77 The 2D (Anisotropic model) is based on the reference below where $I(q)$ is 80 78 approximated for 1d scattering. Thus the scattering pattern for 2D may not 81 be accurate. Note that we are not responsible for any incorrectness of the 2D 82 model computation. 79 be accurate. 83 80 84 81 .. figure:: img/bcc_angle_definition.png … … 89 86 ---------- 90 87 91 Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 92 (Original Paper) 88 .. [#CIT1987] Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 89 (Original Paper) 90 .. [#CIT1990] Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 91 (Corrections to FCC and BCC lattice structure calculation) 93 92 94 Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 95 (Corrections to FCC and BCC lattice structure calculation) 93 Authorship and Verification 94 ---------------------------- 95 96 * **Author:** NIST IGOR/DANSE **Date:** pre 2010 97 * **Last Modified by:** Paul Butler **Date:** September 29, 2016 98 * **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 96 99 """ 97 100 … … 109 112 category = "shape:paracrystal" 110 113 114 #note - calculation requires double precision 111 115 single = False 112 116
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