Model describing anisotropic iron oxide particles in magnetic field

SasView / sasmodels

Package for calculation of small angle scattering models using OpenCL.

BSD 3-Clause "New" or "Revised" License

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Model describing anisotropic iron oxide particles in magnetic field #430

Closed dehoni closed 3 years ago

dehoni commented 3 years ago

The model will describe the magnetic response of anisometric iron oxide (haematite) nanoparticles based on a recent paper [D. Zakutna et al., Nanoscale 11, 7149 (2019)]. Hematite nanospindles are magnetized perpendicular to their long axis and thus align with their short axis along the external field. The calculation involves three orientational distributions, which makes it a testbed to measure performance.

dehoni commented 3 years ago

The code is rather brute force programmed using "for" loops, vectorization may improve speed. On the data analysis service at ISIS called Idaaas the model Morph_ellipsoid with GPU (NVIDIA Cuda: Quadro P4000) takes 15419ms; without opencl (Intel Xeon 2300 Mhz): 776187ms.

dehoni commented 3 years ago

Here are also simulated test data for spindles of 1630 Ang length and 270 Ang radius, with a magnetic moment of 70000 mu_B and RT. The field values are part of the field describtion. sasview_morp_ellipsoid_sims.zip