AtomicControl : a crystallography simulator

Author(s)
Barnard, Edward S
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Alternative title
Atomic Control : a crystallography simulator
Other Contributors
Massachusetts Institute of Technology. Dept. of Materials Science and Engineering.
Advisor
Samuel M. Allen.
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M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission. http://pruffle.mit.edu/atomiccontrol/ http://dspace.mit.edu/handle/1721.1/7582
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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).
 
Date issued
2005
URI
http://pruffle.mit.edu/atomiccontrol/
http://hdl.handle.net/1721.1/32853
Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Publisher
Massachusetts Institute of Technology
Keywords
Materials Science and Engineering.
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