More inelastic materials for data library

tkittel commented 4 years ago

Very soon the big NCrystal v2.0 release will be out, with new capabilities for inelastic physics. It will contain many materials with phonon-dos or scattering kernels, but due to time limitations there will be more work to do on the data library after the release (but I don't want to delay the release further at this point).

Only ~half of the materials in both the old NCrystal data library have now has phonon-dos data added to them. This process should be continued.
More materials from ENDF/B-VIII can be converted (or have VDOS extracted) + have their crystal structures added (polymers need special attention due to multi-phase nature). This includes Polyethylene, Plexiglass, UN, UO2, SiC, ICE, YH2, ZrH.

Opening this issue so we don't forget.

tkittel commented 4 years ago

Related to this, we could also dig out more reference data for the data library wiki page (several materials are currently added without comparison with data).

tkittel commented 4 years ago

For instance, Steyrl1974 also provides more data for graphite totat xs at low energies (which actually conflicts with the trouble-some data from Egelstaff).

tkittel commented 3 years ago

The upcoming NCrystal v2.6.0 release will introduce a lot of new phonon density data (almost tripling the number of vdos curves in the data library), bringing proper inelastic physics to almost all crystalline materials in the data library.

tkittel commented 3 years ago

Release 2.6.0 is out, closing here.

https://github.com/mctools/ncrystal/releases/tag/v2.6.0

mctools / ncrystal

More inelastic materials for data library #39