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Timestamp:
Sep 19, 2017 9:27:37 AM (4 years ago)
Author:
vondreele
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update to 2 frame

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

    r2813 r3084  
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    11011117
    11021118<p class=MsoNormal>We will need a new ‘faulted’ phase for the simulation of the
    1103 Georgia (Ga-1b) kaolinite pattern. Do <b><span style='font-family:"Calibri",sans-serif'>Data/Add
     1119Georgia (KGa-1b) kaolinite pattern. Do <b><span style='font-family:"Calibri",sans-serif'>Data/Add
    11041120new phase</span></b> and give it a name (I chose ‘<b><span style='font-family:
    11051121"Calibri",sans-serif'>Georgia</span></b>’); the General tab will be displayed.
     
    11081124page will be redrawn and a new tab (Layers) will appear. Select it.</p>
    11091125
    1110 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=370
    1111 id="_x0000_i1039" src="Stacking%20Faults-III_files/image002.gif"></span>&nbsp;</p>
     1126<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
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     1148 <v:imagedata src="Stacking%20Faults-III_files/image001.png" o:title=""/>
     1149</v:shape><![endif]--><![if !vml]><img width=624 height=258
     1150src="Stacking%20Faults-III_files/image002.gif" v:shapes="Picture_x0020_16"><![endif]></span>&nbsp;</p>
    11121151
    11131152<p class=MsoNormal>We need to enter the kaolinite <span class=SpellE><span
     
    11221161parameters.</p>
    11231162
    1124 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=365
    1125 id="_x0000_i1038" src="Stacking%20Faults-III_files/image004.gif"></span></p>
     1163<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1164 id="Picture_x0020_17" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468pt;
     1165 height:193.5pt;visibility:visible;mso-wrap-style:square'>
     1166 <v:imagedata src="Stacking%20Faults-III_files/image003.png" o:title=""/>
     1167</v:shape><![endif]--><![if !vml]><img width=624 height=258
     1168src="Stacking%20Faults-III_files/image004.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
    11261169
    11271170<p class=MsoNormal>We’ll add the layers in a moment.</p>
     
    11301173powder data to simulate.<o:p></o:p></span></h2>
    11311174
    1132 <p class=MsoNormal>The powder data from the Ga-1b (kaolinite from Washington <span
     1175<p class=MsoNormal>The powder data from the KGa-1b (kaolinite from Washington <span
    11331176class=SpellE>Cty</span>., Georgia) is what we are going to simulate; do <b><span
    11341177style='font-family:"Calibri",sans-serif'>Import/Powder Data/from Bruker RAW
     
    11411184next popup asks about the phases to be included.</p>
    11421185
    1143 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=320 height=299
    1144 id="_x0000_i1037" src="Stacking%20Faults-III_files/image006.gif"></span></p>
     1186<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1187 id="Picture_x0020_18" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:244.5pt;
     1188 height:241.5pt;visibility:visible;mso-wrap-style:square'>
     1189 <v:imagedata src="Stacking%20Faults-III_files/image005.png" o:title=""/>
     1190</v:shape><![endif]--><![if !vml]><img width=326 height=322
     1191src="Stacking%20Faults-III_files/image006.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
    11451192
    11461193<p class=MsoNormal>Select <b><span style='font-family:"Calibri",sans-serif'>Georgia</span></b>
    11471194which is the faulted phase created in Step 1. The pattern will be displayed.</p>
    11481195
    1149 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=535
    1150 id="_x0000_i1036" src="Stacking%20Faults-III_files/image008.gif"></span></p>
     1196<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1197 id="Picture_x0020_19" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt;
     1198 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1199 <v:imagedata src="Stacking%20Faults-III_files/image007.png" o:title=""/>
     1200</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1201src="Stacking%20Faults-III_files/image008.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
    11511202
    11521203<p class=MsoNormal>It covers 2-70° 2&#920; and shows some of the obvious
     
    11691220pattern will show the new limits.</p>
    11701221
    1171 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=535
    1172 id="_x0000_i1035" src="Stacking%20Faults-III_files/image010.gif"></span></p>
     1222<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1223 id="Picture_x0020_20" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468pt;
     1224 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1225 <v:imagedata src="Stacking%20Faults-III_files/image009.png" o:title=""/>
     1226</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1227src="Stacking%20Faults-III_files/image010.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
    11731228
    11741229<p class=MsoNormal>Finally select the <b><span style='font-family:"Calibri",sans-serif'>Georgia</span></b>
     
    11801235
    11811236<p class=MsoNormal>Do <b><span style='font-family:"Calibri",sans-serif'>Edit
    1182 Phase/Add powder histograms</span></b>; a popup will show the available PWDR
    1183 data sets. Select just <b><span style='font-family:"Calibri",sans-serif'>PWDR
     1237Phase/Add powder histograms</span></b>; a popup will show the available PWDR data
     1238sets. Select just <b><span style='font-family:"Calibri",sans-serif'>PWDR
    11841239KGA1-CONT.RAW Scan 1</span></b> and press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>.
    11851240The Data tab will be redrawn; currently none of this information is of use in
     
    11941249style='font-family:"Calibri",sans-serif'>Layers</span></b> tab.</p>
    11951250
    1196 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=365
    1197 id="_x0000_i1033" src="Stacking%20Faults-III_files/image019.gif"></span></p>
     1251<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1252 id="Picture_x0020_21" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt;
     1253 height:189pt;visibility:visible;mso-wrap-style:square'>
     1254 <v:imagedata src="Stacking%20Faults-III_files/image011.png" o:title=""/>
     1255</v:shape><![endif]--><![if !vml]><img width=624 height=252
     1256src="Stacking%20Faults-III_files/image012.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
    11981257
    11991258<p class=MsoNormal>To begin we need a kaolinite layer; you can use <b><span
     
    12041263phases; the Layers tab will be redrawn showing the atom list for the layer.</p>
    12051264
    1206 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=377
    1207 id="_x0000_i1032" src="Stacking%20Faults-III_files/image020.gif"></span></p>
     1265<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1266 id="Picture_x0020_22" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:468.75pt;
     1267 height:242.25pt;visibility:visible;mso-wrap-style:square'>
     1268 <v:imagedata src="Stacking%20Faults-III_files/image013.png" o:title=""/>
     1269</v:shape><![endif]--><![if !vml]><img width=625 height=323
     1270src="Stacking%20Faults-III_files/image014.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
    12081271
    12091272<p class=MsoNormal>Change the <b><span style='font-family:"Calibri",sans-serif'>Layer
     
    12411304for the next two popups. </p>
    12421305
    1243 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=535
    1244 id="_x0000_i1030" src="Stacking%20Faults-III_files/image022.gif"></span></p>
     1306<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1307 id="Picture_x0020_23" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:468pt;
     1308 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1309 <v:imagedata src="Stacking%20Faults-III_files/image015.png" o:title=""/>
     1310</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1311src="Stacking%20Faults-III_files/image016.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
    12451312
    12461313<p class=MsoNormal>The result should be nearly identical to the one we obtained
    12471314for Keokuk kaolinite and it does not represent the data very well especially in
    1248 the 20-30° 2&#920; region. The intent of having the 2<sup>nd</sup> kaolinite
    1249 layer is to displace it relative to the first one as a stacking fault. The
    1250 literature has many such models suggested (e.g. see G. <span class=SpellE>Artioli</span>,
     1315the 20-30° 2&#920; region. The intent of having the 2<sup>nd</sup> kaolinite layer
     1316is to displace it relative to the first one as a stacking fault. The literature
     1317has many such models suggested (e.g. see G. <span class=SpellE>Artioli</span>,
    12511318et al. Clays &amp; Clay Min., 43, 438-445, 1995); a simple one is to displace
    12521319the 2<sup>nd</sup> layer by b/3 which places the SiO<sub>4</sub> layer in the
    12531320same alignment with the previous AlO<sub>6</sub> layer but with effectively a
    12541321different orientation than for a pair of Keokuk layers. Compare the Keokuk
    1255 stacking (I pressed the <b><span style='font-family:"Calibri",sans-serif'>L</span></b>
    1256 &amp; <b><span style='font-family:"Calibri",sans-serif'>F</span></b> keys get
     1322stacking (A-A; I pressed the <b><span style='font-family:"Calibri",sans-serif'>L</span></b>
     1323&amp; <b><span style='font-family:"Calibri",sans-serif'>F</span></b> keys to get
    12571324labels &amp; fade the 2<sup>nd</sup> layer).</p>
    12581325
    1259 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=477 height=356
    1260 id="_x0000_i1029" src="Stacking%20Faults-III_files/image023.jpg"></span></p>
     1326<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1327 id="Picture_x0020_24" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:468pt;
     1328 height:404.25pt;visibility:visible;mso-wrap-style:square'>
     1329 <v:imagedata src="Stacking%20Faults-III_files/image017.png" o:title=""/>
     1330</v:shape><![endif]--><![if !vml]><img width=624 height=539
     1331src="Stacking%20Faults-III_files/image018.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
    12611332
    12621333<p class=MsoNormal>With the kaolinite A-B <span class=SpellE><b><span
     
    12641335style='font-family:"Calibri",sans-serif'>0.3087</span></b>.</p>
    12651336
    1266 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=478 height=358
    1267 id="_x0000_i1028" src="Stacking%20Faults-III_files/image024.jpg"></span></p>
     1337<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1338 id="Picture_x0020_25" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468pt;
     1339 height:405pt;visibility:visible;mso-wrap-style:square'>
     1340 <v:imagedata src="Stacking%20Faults-III_files/image019.png" o:title=""/>
     1341</v:shape><![endif]--><![if !vml]><img width=624 height=540
     1342src="Stacking%20Faults-III_files/image020.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
    12681343
    12691344<p class=MsoNormal>If you carefully compare these two drawings, you can see
     
    12771352
    12781353<p class=MsoNormal><span style='mso-spacerun:yes'> </span><span
    1279 style='mso-no-proof:yes'><img width=624 height=535 id="_x0000_i1027"
    1280 src="Stacking%20Faults-III_files/image025.gif"></span></p>
     1354style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_26"
     1355 o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;height:401.25pt;
     1356 visibility:visible;mso-wrap-style:square'>
     1357 <v:imagedata src="Stacking%20Faults-III_files/image021.png" o:title=""/>
     1358</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1359src="Stacking%20Faults-III_files/image022.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
    12811360
    12821361<p class=MsoNormal>The 20-30° 2&#920; region is not well reproduced; the
     
    12881367simulation. I’ve expanded the 20-30° 2&#920; region to see the fit.</p>
    12891368
    1290 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=535
    1291 id="_x0000_i1026" src="Stacking%20Faults-III_files/image026.gif"></span></p>
     1369<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1370 id="Picture_x0020_29" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468pt;
     1371 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1372 <v:imagedata src="Stacking%20Faults-III_files/image023.png" o:title=""/>
     1373</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1374src="Stacking%20Faults-III_files/image024.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
    12921375
    12931376<p class=MsoNormal>You can use trial &amp; error adjusting the probabilities to
     
    12971380simulation.</p>
    12981381
    1299 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=624 height=535
    1300 id="_x0000_i1025" src="Stacking%20Faults-III_files/image027.gif"></span></p>
    1301 
    1302 <p class=MsoNormal>The background feature in the 20-30° 2&#920; is reasonably well
    1303 represented with the peaks correctly positioned and with the right intensity.
    1304 One can create more elaborate models using additional stacking layers; see the
    1305 paper by G. <span class=SpellE>Artioli</span> noted above for some choices.
    1306 This completes the stacking fault simulation exercises; save your project file.</p>
     1382<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1383 id="Picture_x0020_28" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt;
     1384 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1385 <v:imagedata src="Stacking%20Faults-III_files/image025.png" o:title=""/>
     1386</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1387src="Stacking%20Faults-III_files/image026.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
     1388
     1389<p class=MsoNormal>The background feature in the 20-30° 2&#920; is reasonably
     1390well represented with the peaks correctly positioned and with the right
     1391intensity. One can create more elaborate models using additional stacking
     1392layers; see the paper by G. <span class=SpellE>Artioli</span> noted above for
     1393some choices. This completes the stacking fault simulation exercises; save your
     1394project file.</p>
    13071395
    13081396</div>
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