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In this assignment you will download a file produced with atomistic
simulation codes and analyze it with a graphics program, such
as WEblabviewer, xmol, or atomview in the CAVE.
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The file represents a slice of a nanocystalline
Ni film . There are several grains in the simulation block.
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The block contains a crack that is groing under applied load. Other
defects may also be present as a result of the loading.
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Perfect lattice Ni is FCC with a lattice parameter of 3.52 Angstroms.
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You can use regions of the file to analyze in greater
detail
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You should produce a report in the format of a Web page.
If appropriate, we may incorporate all your pages developed in this
assignment to the Web class module on this topic.
You are encouraged to be creative in the analysis of the data.
Your report should contain the following:
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A n introductory description of the material being simulated and a brief
research of its practical applications of this material. (Use the
Library)
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A description of teh crystal structure of the simulated
material, with a discussion on the symmetry of this structre and
enough graphical information for full three dimensional understanding
of this symmetry.
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A discussion of the defects present in the simulation block
analyzed, including the effects of the defect in the overall symmetry properties
of the block.
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An anlysis of local atomic distortions around a chosen defective
region present in the given region.
Click Here
for the file to download
It will look somethong like this:
