AtomicControl : a crystallography simulator
Name
61462842-MIT.pdf
Description
Full printable version
Size
2.09 MB
Format
Adobe PDF
Checksum (MD5)
01a323b696f4c0db9566cd0894a78595
Author(s)
Barnard, Edward S
Advisor(s)
Samuel M. Allen.
Alternative Title
Atomic Control : a crystallography simulator
Date Issued
2005
Publisher
Massachusetts Institute of Technology
Abstract
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.
Description
Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2005.
Includes bibliographical references (p. 51).
Subjects
Materials Science and Engineering.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
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