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On Fri, 14 Jun 2013 17:00:46 GMT, Joel Long wrote:
> In general, ignoring chemical bonds has very little impact on monte > carlo results (bonds are usually < 1eV, whereas most applications of > monte carlo run orders of magnitude higher). Since neutrons do not > interact with charged particles, bonds don't make a difference at any > energy.
Thermal neutrons have energies comparable to molecular bonds, and in fact the details of thermal neutron scattering does depend on the molecular environment (vibrotational excitations, etc.).
> If you are using extremely low energy charged particles, and are > interested in the energy deposition on a very, very fine scale, then you > might be concerned.
Currently, the Geant4 "DNA Physics" can address the molecular interactions of charged particles with water.
The NeutronHP codes have a whole section related to thermal neutrons, and will handle molecular effects provided you name your materials with special strings so that NeutronHP recognizes them.
Both of these are documented in the Application Developer's Guide and the Physics Reference Manual.