AtomicControl : a crystallography simulator
Author(s)Barnard, Edward S
Atomic Control : a crystallography simulator
Massachusetts Institute of Technology. Dept. of Materials Science and Engineering.
Samuel M. Allen.
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AtomicControl is a software package designed to aid in the teaching of crystallography and x-ray diffraction concepts to materials science students. It has the capability to create an arbitrary crystal structure based on the user's specification of a space group and atomic coordinates. It also can generate a simulated powder diffractogram based on the user's generated crystal. The program is fully interactive and allows the user to view the effects of changes to lattice and atoms in a 3D visualization of the crystal. AtomicControl's x-ray diffraction patterns have been shown to match well with experimental data, proving the validity of the algorithm. AtomicControl is available online.
Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2005.Includes bibliographical references (p. 51).
DepartmentMassachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology
Materials Science and Engineering.