Shear Relief

I’m very happy that my paper was accepted for publication in Metallurgical and Materials Transactions A. It took a long time from performing the experiment to presenting the results, mainly because I needed to repeat the analysis which was something I wasn’t able to make time for until I had to submit the thesis. In [...]

Ferrite crystal structure in cmd format for jmol

<?xml version=”1.0″?> <molecule xmlns=”http://www.xml-cml.org/schema”> <crystal> <scalar title=”a”>2.882</scalar> <scalar title=”b”>2.882</scalar> <scalar title=”c”>2.882</scalar> <scalar title=”alpha”>90.00</scalar> <scalar title=”beta”>90.00</scalar> <scalar title=”gamma”>90.00</scalar> </crystal> <atomArray> <atom id=”Fe1″ xFract=”0.0″ yFract=”0.0″ zFract=”0.0″ elementType=”Fe”/> <atom id=”Fe2″ xFract=”0.5″ yFract=”0.5″ zFract=”0.5″ elementType=”Fe”/> </atomArray> </molecule> After viewing cmlexplained. Jmol is a an open-source Java viewer for chemical structures

Density of Iron Carbide (Fe3C)

There are 4 molecules of Fe3C per unit cell. The cell is orthorombic, typical lattice parameters at room temperature are given below from Mehl etal, Trans AIMME, 1933. Mass ——- m = mass of 1 mole of unit cells = 12 x FeRAM + 4 x CRAM = 12 x 55.845 + 4 x 12.011 [...]

View FCC Austenite in three dimensions

Channel 4 seem to be showing some 3d programs on t.v. the consequence is you can get 3d glasses for free in sainsburys, and you can use them with the Jmol sorfware to view molecular models in three dimensions.

Using GSAS and EXPGUI in debian

EXPGUI is a graphical interface for the GSAS software, allowing structural refinement using the Reitveld technique. EXPGUI/GSAS can be downloaded in binary form from http://www.ncnr.nist.gov/programs/crystallography/software/downloads.html You need to install tcl/tk and also blt all of which can be found in debian package repositories. (Or whatever for your system!) in debian: apt-get tk8.4 blt tcl/tk is [...]