Changeset 2251 for Tutorials


Ignore:
Timestamp:
May 12, 2016 11:55:04 AM (6 years ago)
Author:
vondreele
Message:
 
File:
1 edited

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  • Tutorials/StackingFaults-I/Stacking Faults-I.htm

    r2250 r2251  
    3030<!--[if gte mso 9]><xml>
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    32   <w:View>Print</w:View>
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    3433  <w:TrackFormatting/>
     
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    12331232<p class=MsoNormal>In this exercise you will use GSAS-II to simulate the
    12341233diffraction patterns from faulted diamond. Diamond most commonly has the
    1235 well-known cubic structure with the space group Fd3m and a=3.5668A. The C-atom
    1236 is at 1/8,1/8,1/8 and can be viewed as a cubic stacking of ruffled hexagonal
    1237 nets along the cubic cell 111 diagonal. </p>
     1234well-known cubic structure with the space group Fd3m and a=3.5668A. The C-atom is
     1235at 1/8,1/8,1/8 and can be viewed as a cubic stacking of ruffled hexagonal nets
     1236along the cubic cell 111 diagonal. </p>
    12381237
    12391238<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
     
    12711270Otherwise, if there are many such faults then the diffraction pattern will show
    12721271streaks. To simulate the streaks one must first develop a model for the
    1273 hexagonal net of C-atoms and then show how they stack in either the cubic or
    1274 hexagonal forms. GSAS-II uses a suite of subroutines from the DIFFaX program
    1275 (M.M.J. Treacy, J.M. Newsam &amp; M.W. Deem, (1991), Proc. Roy. Soc. Lond.
    1276 433A, 499-520) to calculate the diffraction pattern via a general recursion
    1277 algorithm and a randomized set of stacked layers. NB: this calculation can be
    1278 quite time consuming particularly if unreasonable demands are made on it. </p>
     1272hexagonal net of C-atoms and then show how they stack in either the cubic or hexagonal
     1273forms. GSAS-II uses a suite of subroutines from the DIFFaX program (M.M.J.
     1274Treacy, J.M. Newsam &amp; M.W. Deem, (1991), Proc. Roy. Soc. Lond. 433A,
     1275499-520) to calculate the diffraction pattern via a general recursion algorithm
     1276and a randomized set of stacked layers. NB: this calculation can be quite time
     1277consuming particularly if unreasonable demands are made on it. </p>
    12791278
    12801279<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
     
    13861385Next, select <b style='mso-bidi-font-weight:normal'><span style='font-family:
    13871386"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1388 minor-latin'>Add atom?</span></b> and the window will be redrawn with one line in
    1389 the layer table.</p>
     1387minor-latin'>Add atom?</span></b> and the window will be redrawn with one line
     1388in the layer table.</p>
    13901389
    13911390<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    14191418style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    14201419mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Draw layer?</span></b>
    1421 and the drawing will appear.<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
     1420and the drawing will appear.<span style='mso-no-proof:yes'> <o:p></o:p></span></p>
     1421
     1422<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    14221423 id="Picture_x0020_10" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:364.5pt;
    14231424 height:272.25pt;visibility:visible;mso-wrap-style:square'>
     
    15511552
    15521553<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1553  id="Picture_x0020_17" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:181.5pt;
    1554  height:102pt;visibility:visible;mso-wrap-style:square'>
     1554 id="_x0000_i1038" type="#_x0000_t75" style='width:181.5pt;height:102pt;
     1555 visibility:visible;mso-wrap-style:square'>
    15551556 <v:imagedata src="Stacking%20Faults-I_files/image033.png" o:title=""/>
    15561557</v:shape><![endif]--><![if !vml]><img width=242 height=136
    1557 src="Stacking%20Faults-I_files/image034.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
     1558src="Stacking%20Faults-I_files/image034.gif" v:shapes="_x0000_i1038"><![endif]></span></p>
    15581559
    15591560<p class=MsoNormal>To make it interesting select <b style='mso-bidi-font-weight:
     
    15701571
    15711572<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1572  id="Picture_x0020_18" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468pt;
    1573  height:355.5pt;visibility:visible;mso-wrap-style:square'>
     1573 id="_x0000_i1037" type="#_x0000_t75" style='width:468pt;height:355.5pt;
     1574 visibility:visible;mso-wrap-style:square'>
    15741575 <v:imagedata src="Stacking%20Faults-I_files/image035.png" o:title=""/>
    15751576</v:shape><![endif]--><![if !vml]><img width=624 height=474
    1576 src="Stacking%20Faults-I_files/image036.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
     1577src="Stacking%20Faults-I_files/image036.gif" v:shapes="_x0000_i1037"><![endif]></span></p>
    15771578
    15781579<p class=MsoNormal>At the top is a new item <b style='mso-bidi-font-weight:
     
    15871588
    15881589<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1589  id="_x0000_i1036" type="#_x0000_t75" style='width:363pt;height:341.25pt;
    1590  visibility:visible;mso-wrap-style:square'>
     1590 id="Picture_x0020_17" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363pt;
     1591 height:341.25pt;visibility:visible;mso-wrap-style:square'>
    15911592 <v:imagedata src="Stacking%20Faults-I_files/image037.png" o:title=""/>
    15921593</v:shape><![endif]--><![if !vml]><img width=484 height=455
    1593 src="Stacking%20Faults-I_files/image038.gif" v:shapes="_x0000_i1036"><![endif]></span></p>
     1594src="Stacking%20Faults-I_files/image038.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
    15941595
    15951596<p class=MsoNormal>The streaking intermixed with sharp spots is clearly obvious
     
    16121613
    16131614<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1614  id="_x0000_i1035" type="#_x0000_t75" style='width:241.5pt;height:201pt;
    1615  visibility:visible;mso-wrap-style:square'>
     1615 id="Picture_x0020_18" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:241.5pt;
     1616 height:201pt;visibility:visible;mso-wrap-style:square'>
    16161617 <v:imagedata src="Stacking%20Faults-I_files/image039.png" o:title=""/>
    16171618</v:shape><![endif]--><![if !vml]><img width=322 height=268
    1618 src="Stacking%20Faults-I_files/image040.gif" v:shapes="_x0000_i1035"><![endif]></span></p>
     1619src="Stacking%20Faults-I_files/image040.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
    16191620
    16201621<p class=MsoNormal>Use the first one for <b style='mso-bidi-font-weight:normal'><span
     
    16861687letting you know it is done; press <b style='mso-bidi-font-weight:normal'><span
    16871688style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1688 mso-hansi-theme-font:minor-latin'>Ok</span></b> and the powder pattern will be displayed
    1689 with the result. On the plot press the ‘<b style='mso-bidi-font-weight:normal'><span
    1690 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    1691 mso-hansi-theme-font:minor-latin'>+</span></b>’ key to suppress the ‘+’ marks.
    1692 The plot should look like: I’ve expanded the scale to show the interesting
    1693 stuff around each peak.</p>
     1689mso-hansi-theme-font:minor-latin'>Ok</span></b> and the powder pattern will be
     1690displayed with the result. On the plot press the ‘<b style='mso-bidi-font-weight:
     1691normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1692minor-latin;mso-hansi-theme-font:minor-latin'>+</span></b>’ key to suppress the
     1693‘+’ marks. The plot should look like: I’ve expanded the scale to show the
     1694interesting stuff around each peak.</p>
    16941695
    16951696<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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