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Timestamp:
Sep 18, 2017 3:49:31 PM (4 years ago)
Author:
vondreele
Message:

update to 2 frame

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

    r2812 r3083  
    2626 <w:WordDocument>
    2727  <w:View>Print</w:View>
     28  <w:Zoom>124</w:Zoom>
    2829  <w:SpellingState>Clean</w:SpellingState>
    2930  <w:GrammarState>Clean</w:GrammarState>
     
    11421143element table).</p>
    11431144
    1144 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=930 height=500
    1145 id="_x0000_i1043" src="Stacking%20Faults%20II_files/image001.gif"></span></p>
    1146 
    1147 <p class=MsoNormal>To fix the <span class=SpellE>Xe</span> atoms (they should
    1148 be O), select <b><span style='font-family:"Calibri",sans-serif'>Atoms</span></b>
    1149 and then double click the <b><span style='font-family:"Calibri",sans-serif'>Type</span></b>
    1150 column heading; a small popup will appear. Select <span class=SpellE><b><span
    1151 style='font-family:"Calibri",sans-serif'>Xe</span></b></span> &amp; press <b><span
    1152 style='font-family:"Calibri",sans-serif'>Ok</span></b>; the <span class=SpellE>Xe</span>
    1153 atoms at the bottom of the atom table will be highlighted. Next select <b><span
    1154 style='font-family:"Calibri",sans-serif'>Edit/On selected atoms
    1155 /Modify parameters</span></b>
    1156 from the Phase Data menu; a new popup will appear. Select <b><span
    1157 style='font-family:"Calibri",sans-serif'>Type</span></b> &amp; press <b><span
    1158 style='font-family:"Calibri",sans-serif'>Ok</span></b>; a periodic table of the
    1159 element will appear. Select <b><span style='font-family:"Calibri",sans-serif'>O</span></b>
    1160 from the O-atom pulldown; the structure will be drawn with Al, Si &amp; O atoms
    1161 only.</p>
    1162 
    1163 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=479 height=358
    1164 id="_x0000_i1042" src="Stacking%20Faults%20II_files/image003.jpg"></span></p>
    1165 
    1166 <p class=MsoNormal>To better visualize the stacking layer, select the <b><span
    1167 style='font-family:"Calibri",sans-serif'>Draw Atoms</span></b> tab and then
    1168 double click the empty upper left corner box of the table. All atoms will turn
    1169 green. Then do <b><span style='font-family:"Calibri",sans-serif'>Edit Figure/Fill
    1170 unit cell</span></b>; the structure will be redrawn with all atoms that belong
    1171 in the unit cell. Finally, double click on the <b><span style='font-family:
    1172 "Calibri",sans-serif'>Type</span></b> column heading, select <b><span
    1173 style='font-family:"Calibri",sans-serif'>Al</span></b> &amp; <b><span
    1174 style='font-family:"Calibri",sans-serif'>Si</span></b> (they will turn green)
    1175 and then do <b><span style='font-family:"Calibri",sans-serif'>Edit Figure/Fill
    1176 CN sphere</span></b>. After a bit of rotating the structure around, the
    1177 layering along the c-axis (blue line) will be evident.</p>
    1178 
    1179 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=359
    1180 id="_x0000_i1041" src="Stacking%20Faults%20II_files/image004.jpg"></span></p>
    1181 
    1182 <p class=MsoNormal>One can easily see the layer of SiO<sub>4</sub> <span
    1183 class=SpellE>tetrahedra</span> and AlO<sub>6</sub> <span class=SpellE>octahedra</span>.
    1184 Also notice that the next layer (represented by the 4 O atoms at the bottom of
    1185 the above drawing are offset giving a triclinic lattice.</p>
    1186 
    1187 <p class=MsoNormal>The stacking fault simulation calculation via <span
    1188 class=SpellE>DIFFaX</span> routines requires that the stacking layers be
    1189 defined in a coordinate system that has the stacking direction perpendicular to
    1190 the stacking plane defined as the c-axis. This requires transformation of the
    1191 unit cell and atom coordinates; a suitable tool exists in GSAS-II to do this. Select
    1192 the <b><span style='font-family:"Calibri",sans-serif'>General</span></b> tab
    1193 and do <b><span style='font-family:"Calibri",sans-serif'>Compute/Transform</span></b>;
    1194 a popup window will appear.</p>
    1195 
    11961145<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
    11971146 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
     
    12141163 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
    12151164 <o:lock v:ext="edit" aspectratio="t"/>
    1216 </v:shapetype><v:shape id="Picture_x0020_20" o:spid="_x0000_i1040" type="#_x0000_t75"
    1217  style='width:262.5pt;height:301.5pt;visibility:visible;mso-wrap-style:square'>
    1218  <v:imagedata src="Stacking%20Faults%20II_files/image001.png" o:title=""/>
     1165</v:shapetype><v:shape id="Picture_x0020_9" o:spid="_x0000_i1042" type="#_x0000_t75"
     1166 style='width:468pt;height:225pt;visibility:visible;mso-wrap-style:square'>
     1167 <v:imagedata src="Stacking%20Faults%20II_files/image007.png" o:title=""/>
     1168</v:shape><![endif]--><![if !vml]><img width=624 height=300
     1169src="Stacking%20Faults%20II_files/image008.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
     1170
     1171<p class=MsoNormal>To fix the <span class=SpellE>Xe</span> atoms (they should
     1172be O), select <b><span style='font-family:"Calibri",sans-serif'>Atoms</span></b>
     1173and then double click the <b><span style='font-family:"Calibri",sans-serif'>Type</span></b>
     1174column heading; a small popup will appear. Select <span class=SpellE><b><span
     1175style='font-family:"Calibri",sans-serif'>Xe</span></b></span> &amp; press <b><span
     1176style='font-family:"Calibri",sans-serif'>Ok</span></b>; the <span class=SpellE>Xe</span>
     1177atoms at the bottom of the atom table will be highlighted. Next select <b><span
     1178style='font-family:"Calibri",sans-serif'>Edit Atoms/On selected atoms
     1179/Modify
     1180parameters</span></b> from the Phase Data menu; a new popup will appear. Select
     1181<b><span style='font-family:"Calibri",sans-serif'>Type</span></b> &amp; press <b><span
     1182style='font-family:"Calibri",sans-serif'>Ok</span></b>; a periodic table of the
     1183element will appear. Select <b><span style='font-family:"Calibri",sans-serif'>O</span></b>
     1184from the O-atom pulldown; the structure will be drawn with Al, Si &amp; O atoms
     1185only.</p>
     1186
     1187<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1188 id="Picture_x0020_15" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:468pt;
     1189 height:403.5pt;visibility:visible;mso-wrap-style:square'>
     1190 <v:imagedata src="Stacking%20Faults%20II_files/image009.png" o:title=""/>
     1191</v:shape><![endif]--><![if !vml]><img width=624 height=538
     1192src="Stacking%20Faults%20II_files/image010.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
     1193
     1194<p class=MsoNormal>To better visualize the stacking layer, select the <b><span
     1195style='font-family:"Calibri",sans-serif'>Draw Atoms</span></b> tab and then
     1196double click the empty upper left corner box of the table. All atoms will turn
     1197green. Then do <b><span style='font-family:"Calibri",sans-serif'>Edit
     1198Figure/Fill unit cell</span></b>; the structure will be redrawn with all atoms
     1199that belong in the unit cell. Finally, double click on the <b><span
     1200style='font-family:"Calibri",sans-serif'>Type</span></b> column heading, select
     1201<b><span style='font-family:"Calibri",sans-serif'>Al</span></b> &amp; <b><span
     1202style='font-family:"Calibri",sans-serif'>Si</span></b> (they will turn green)
     1203and then do <b><span style='font-family:"Calibri",sans-serif'>Edit Figure/Fill
     1204CN sphere</span></b>. After a bit of rotating the structure around, the
     1205layering along the c-axis (blue line) will be evident.</p>
     1206
     1207<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1208 id="Picture_x0020_16" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:468pt;
     1209 height:403.5pt;visibility:visible;mso-wrap-style:square'>
     1210 <v:imagedata src="Stacking%20Faults%20II_files/image011.png" o:title=""/>
     1211</v:shape><![endif]--><![if !vml]><img width=624 height=538
     1212src="Stacking%20Faults%20II_files/image012.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
     1213
     1214<p class=MsoNormal>One can easily see the layer of SiO<sub>4</sub> <span
     1215class=SpellE>tetrahedra</span> and AlO<sub>6</sub> <span class=SpellE>octahedra</span>.
     1216Also notice that the next layer (represented by the 4 O atoms at the bottom of
     1217the above drawing are offset giving a triclinic lattice.</p>
     1218
     1219<p class=MsoNormal>The stacking fault simulation calculation via <span
     1220class=SpellE>DIFFaX</span> routines requires that the stacking layers be
     1221defined in a coordinate system that has the stacking direction perpendicular to
     1222the stacking plane defined as the c-axis. This requires transformation of the
     1223unit cell and atom coordinates; a suitable tool exists in GSAS-II to do this.
     1224Select the <b><span style='font-family:"Calibri",sans-serif'>General</span></b>
     1225tab and do <b><span style='font-family:"Calibri",sans-serif'>Compute/Transform</span></b>;
     1226a popup window will appear.</p>
     1227
     1228<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1229 id="Picture_x0020_23" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:262.5pt;
     1230 height:301.5pt;visibility:visible;mso-wrap-style:square'>
     1231 <v:imagedata src="Stacking%20Faults%20II_files/image013.png" o:title=""/>
    12191232</v:shape><![endif]--><![if !vml]><img width=350 height=402
    1220 src="Stacking%20Faults%20II_files/image002.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
     1233src="Stacking%20Faults%20II_files/image014.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
    12211234
    12221235<p class=MsoNormal>Note that this allows one to transform the structure
    1223 according to a matrix and then shift the resultant positions along some vector
    1224 and then select those that are unique according to a selected space group. The
    1225 pulldown gives a selection of commonly used transformations; we want the last
    1226 one, <span class=SpellE><b><span style='font-family:"Calibri",sans-serif'>abc</span></b></span><b><span
     1236according to a matrix and then shift the <span class=GramE>resultant</span>
     1237positions along some vector and then select those that are unique according to
     1238a selected space group. The pulldown gives a selection of commonly used
     1239transformations; we want the last one, <span class=SpellE><b><span
     1240style='font-family:"Calibri",sans-serif'>abc</span></b></span><b><span
    12271241style='font-family:"Calibri",sans-serif'>*</span></b>, which satisfies the
    12281242stacking fault requirement. Select it; notice that the space group is changed
     
    12331247
    12341248<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1235  id="Picture_x0020_21" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:262.5pt;
     1249 id="Picture_x0020_24" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:262.5pt;
    12361250 height:301.5pt;visibility:visible;mso-wrap-style:square'>
    12371251 <v:imagedata src="Stacking%20Faults%20II_files/image003.png" o:title=""/>
    12381252</v:shape><![endif]--><![if !vml]><img width=350 height=402
    1239 src="Stacking%20Faults%20II_files/image004.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
    1240 
    1241 <p class=MsoNormal><span class=GramE>The a</span> &amp; b axes stay the same,
    1242 but c is now smaller (the interlayer distance in kaolinite) and <span
     1253src="Stacking%20Faults%20II_files/image015.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
     1254
     1255<p class=MsoNormal><span class=GramE>The a</span> &amp; b axes stay the same, but
     1256c is now smaller (the interlayer distance in kaolinite) and <span
    12431257style='font-family:Symbol'>a</span> &amp; <span style='font-family:Symbol'>b</span>
    12441258= 90 (<span style='font-family:Symbol'>g</span> is unchanged). Press <b><span
     
    12481262Atoms</span></b> tab to see the resulting structure.</p>
    12491263
    1250 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=471 height=352
    1251 id="_x0000_i1038" src="Stacking%20Faults%20II_files/image007.jpg"></span></p>
     1264<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1265 id="Picture_x0020_25" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468pt;
     1266 height:403.5pt;visibility:visible;mso-wrap-style:square'>
     1267 <v:imagedata src="Stacking%20Faults%20II_files/image016.png" o:title=""/>
     1268</v:shape><![endif]--><![if !vml]><img width=624 height=538
     1269src="Stacking%20Faults%20II_files/image017.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
    12521270
    12531271<p class=MsoNormal>To see what this layer looks like with more of it drawn, you
     
    12711289the drawing should look like (after some zooming/shifting/rotation).</p>
    12721290
    1273 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=477 height=357
    1274 id="_x0000_i1037" src="Stacking%20Faults%20II_files/image009.jpg"></span></p>
     1291<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1292 id="Picture_x0020_26" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt;
     1293 height:404.25pt;visibility:visible;mso-wrap-style:square'>
     1294 <v:imagedata src="Stacking%20Faults%20II_files/image018.png" o:title=""/>
     1295</v:shape><![endif]--><![if !vml]><img width=624 height=539
     1296src="Stacking%20Faults%20II_files/image019.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
    12751297
    12761298<p class=MsoNormal>This structure is now suitable for use in <span
    1277 class=SpellE>DIFFaX</span> calculations; the cell has a c-axis that is
    1278 perpendicular to the ab plane with a length that is the stacking repeat
    1279 distance. This is a good place to save your project (I called it ‘<b><span
    1280 style='font-family:"Calibri",sans-serif'>kaolinite’</span></b>).</p>
     1299class=SpellE>DIFFaX</span> calculations; the cell has a c-axis that is perpendicular
     1300to the ab plane with a length that is the stacking repeat distance. This is a
     1301good place to save your project (I called it ‘<b><span style='font-family:"Calibri",sans-serif'>kaolinite’</span></b>).</p>
    12811302
    12821303<h2><span style='mso-fareast-font-family:"Times New Roman"'>Part 2. Set up
     
    12841305
    12851306<p class=MsoNormal>In this part of the tutorial we’ll create a stacking model
    1286 for Keokuk kaolinite and use <span class=SpellE>DIFFaX</span> to simulate the powder
    1287 pattern and compare it to some real data. To begin we need a new phase that we
    1288 can declare as “faulted’. In the main GSAS-II data tree menu do <b><span
     1307for Keokuk kaolinite and use <span class=SpellE>DIFFaX</span> to simulate the
     1308powder pattern and compare it to some real data. To begin we need a new phase
     1309that we can declare as “faulted’. In the main GSAS-II data tree menu do <b><span
    12891310style='font-family:"Calibri",sans-serif'>Data/Add new phase</span></b>; I named
    12901311it ‘<b><span style='font-family:"Calibri",sans-serif'>Keokuk</span></b>’. The
    12911312General tab for it will immediately appear.</p>
    12921313
    1293 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=930 height=500
    1294 id="_x0000_i1036" src="Stacking%20Faults%20II_files/image010.gif"></span></p>
     1314<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1315 id="Picture_x0020_27" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468pt;
     1316 height:225pt;visibility:visible;mso-wrap-style:square'>
     1317 <v:imagedata src="Stacking%20Faults%20II_files/image020.png" o:title=""/>
     1318</v:shape><![endif]--><![if !vml]><img width=624 height=300
     1319src="Stacking%20Faults%20II_files/image021.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
    12951320
    12961321<p class=MsoNormal>Change the <b><span style='font-family:"Calibri",sans-serif'>Phase
     
    12991324will appear. Select it.</p>
    13001325
    1301 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=817 height=484
    1302 id="_x0000_i1035" src="Stacking%20Faults%20II_files/image011.gif"></span></p>
     1326<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1327 id="Picture_x0020_28" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:468pt;
     1328 height:196.5pt;visibility:visible;mso-wrap-style:square'>
     1329 <v:imagedata src="Stacking%20Faults%20II_files/image022.png" o:title=""/>
     1330</v:shape><![endif]--><![if !vml]><img width=624 height=262
     1331src="Stacking%20Faults%20II_files/image023.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
    13031332
    13041333<p class=MsoNormal>We can anticipate (given that kaolinite space group is C1)
     
    13161345new lattice parameters.</p>
    13171346
    1318 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=829 height=484
    1319 id="_x0000_i1034" src="Stacking%20Faults%20II_files/image012.gif"></span></p>
     1347<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1348 id="Picture_x0020_29" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt;
     1349 height:196.5pt;visibility:visible;mso-wrap-style:square'>
     1350 <v:imagedata src="Stacking%20Faults%20II_files/image024.png" o:title=""/>
     1351</v:shape><![endif]--><![if !vml]><img width=624 height=262
     1352src="Stacking%20Faults%20II_files/image025.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
    13201353
    13211354<p class=MsoNormal>Next, you need to define the layer. As it would be very
     
    13311364
    13321365<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1333  id="Picture_x0020_22" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt;
    1334  height:282.75pt;visibility:visible;mso-wrap-style:square'>
    1335  <v:imagedata src="Stacking%20Faults%20II_files/image005.png" o:title=""/>
    1336 </v:shape><![endif]--><![if !vml]><img width=624 height=377
    1337 src="Stacking%20Faults%20II_files/image006.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
     1366 id="Picture_x0020_30" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:468pt;
     1367 height:238.5pt;visibility:visible;mso-wrap-style:square'>
     1368 <v:imagedata src="Stacking%20Faults%20II_files/image026.png" o:title=""/>
     1369</v:shape><![endif]--><![if !vml]><img width=624 height=318
     1370src="Stacking%20Faults%20II_files/image027.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
    13381371
    13391372<p class=MsoNormal>If you move down to the bottom of the page to find the one
     
    13411374probabilities</span></b>. Change <span class=SpellE><b><span style='font-family:
    13421375"Calibri",sans-serif'>Dz</span></b></span><b><span style='font-family:"Calibri",sans-serif'>=1.0</span></b>
    1343 and press the plot box; the drawing will show a layer of kaolinite stacked
    1344 directly above another one.</p>
    1345 
    1346 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=359
    1347 id="_x0000_i1032" src="Stacking%20Faults%20II_files/image014.jpg"></span></p>
     1376and press the plot box; the drawing will show a layer of kaolinite stacked directly
     1377above another one.</p>
     1378
     1379<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1380 id="Picture_x0020_31" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt;
     1381 height:403.5pt;visibility:visible;mso-wrap-style:square'>
     1382 <v:imagedata src="Stacking%20Faults%20II_files/image028.png" o:title=""/>
     1383</v:shape><![endif]--><![if !vml]><img width=624 height=538
     1384src="Stacking%20Faults%20II_files/image029.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
    13481385
    13491386<p class=MsoNormal>Compare that to the stacking in kaolinite.</p>
    13501387
    1351 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=359
    1352 id="_x0000_i1031" src="Stacking%20Faults%20II_files/image015.jpg"></span></p>
     1388<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1389 id="Picture_x0020_32" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:468pt;
     1390 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1391 <v:imagedata src="Stacking%20Faults%20II_files/image030.png" o:title=""/>
     1392</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1393src="Stacking%20Faults%20II_files/image031.gif" v:shapes="Picture_x0020_32"><![endif]></span></p>
    13531394
    13541395<p class=MsoNormal>Notice the effect of the offset. The 1<sup>st</sup> row of
     
    13761417GSAS-II data tree; one covers 2<span style='font-family:Symbol'>Q</span>= 10-90<span
    13771418style='font-family:"Calibri",sans-serif'>°</span> and the other covers 2<span
    1378 style='font-family:Symbol'>Q</span>=80-150°. Only the lower part of the first
    1379 one is going to be used in our simulation work as the calculations become very
    1380 time consuming for complex structures and high angle data. Select <b><span
     1419style='font-family:Symbol'>Q</span>=80-150°. Only the lower part of the first one
     1420is going to be used in our simulation work as the calculations become very time
     1421consuming for complex structures and high angle data. Select <b><span
    13811422style='font-family:"Calibri",sans-serif'>PWDR Keokuk <span class=SpellE>kaolinite.RAW</span>
    13821423Scan 1</span></b> from the GSAS-II data tree make sure it expands; its plot
    13831424will also show.</p>
    13841425
    1385 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=700 height=600
    1386 id="_x0000_i1030" src="Stacking%20Faults%20II_files/image016.gif"></span></p>
     1426<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1427 id="Picture_x0020_33" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:468pt;
     1428 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1429 <v:imagedata src="Stacking%20Faults%20II_files/image032.png" o:title=""/>
     1430</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1431src="Stacking%20Faults%20II_files/image033.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
    13871432
    13881433<p class=MsoNormal>Go to <b><span style='font-family:"Calibri",sans-serif'>Limits</span></b>
     
    14101455and the new plot will be displayed (I’ve zoomed in a bit).</p>
    14111456
    1412 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=700 height=600
    1413 id="_x0000_i1029" src="Stacking%20Faults%20II_files/image017.gif"></span>.</p>
     1457<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1458 id="Picture_x0020_34" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468pt;
     1459 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1460 <v:imagedata src="Stacking%20Faults%20II_files/image034.png" o:title=""/>
     1461</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1462src="Stacking%20Faults%20II_files/image035.gif" v:shapes="Picture_x0020_34"><![endif]></span>.</p>
    14141463
    14151464<p class=MsoNormal>As you can see the simulation (green curve) does not fit the
     
    14181467offset consider the drawing of kaolinite.</p>
    14191468
    1420 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=480 height=338
    1421 id="_x0000_i1028" src="Stacking%20Faults%20II_files/image002.gif"></span></p>
     1469<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1470 id="Picture_x0020_35" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;
     1471 height:403.5pt;visibility:visible;mso-wrap-style:square'>
     1472 <v:imagedata src="Stacking%20Faults%20II_files/image036.png" o:title=""/>
     1473</v:shape><![endif]--><![if !vml]><img width=624 height=538
     1474src="Stacking%20Faults%20II_files/image037.gif" v:shapes="Picture_x0020_35"><![endif]></span></p>
    14221475
    14231476<p class=MsoNormal>The offset <span class=SpellE>Dx</span> is given by the blue
     
    14251478Geometry gives<o:p></o:p></p>
    14261479
    1427 <p class=MsoNormal><span style='position:relative;top:3pt'><span
    1428 style='mso-no-proof:yes'><img width=106 height=26 id="_x0000_i1027"
    1429 src="Stacking%20Faults%20II_files/image021.gif"></span>&nbsp;Or in this case <b><span
    1430 style='font-family:"Calibri",sans-serif'>-0.368</span></b>. Set <span
    1431 class=SpellE><b><span style='font-family:"Calibri",sans-serif'>Dx</span></b></span>
     1480<p class=MsoNormal><span style='position:relative;top:3pt'><!--[if gte msEquation 12]><m:oMath><i
     1481 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     1482 mso-no-proof:yes'><m:r>Dx</m:r><m:r>= </m:r></span></i><m:f><m:fPr><m:type
     1483    m:val="lin"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
     1484   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
     1485   mso-bidi-font-style:normal;mso-no-proof:yes'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i
     1486   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     1487   mso-no-proof:yes'><m:r>c</m:r><m:r> </m:r></span></i><m:func><m:funcPr><span
     1488     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     1489     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     1490     normal;mso-no-proof:yes'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span
     1491     style='font-family:"Cambria Math",serif;mso-no-proof:yes'><m:r><m:rPr><m:scr
     1492        m:val="roman"/><m:sty m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i
     1493     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     1494     mso-no-proof:yes'><m:r>&#946;</m:r></span></i></m:e></m:func></m:num><m:den><i
     1495   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     1496   mso-no-proof:yes'><m:r>a</m:r></span></i></m:den></m:f></m:oMath><![endif]--><![if !msEquation]><span
     1497style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
     1498"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
     1499top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
     1500EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
     1501 type="#_x0000_t75" style='width:84pt;height:14.25pt'>
     1502 <v:imagedata src="Stacking%20Faults%20II_files/image038.png" o:title=""
     1503  chromakey="white"/>
     1504</v:shape><![endif]--><![if !vml]><img width=112 height=19
     1505src="Stacking%20Faults%20II_files/image039.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>&nbsp;Or
     1506in this case <b><span style='font-family:"Calibri",sans-serif'>-0.368</span></b>.
     1507Set <span class=SpellE><b><span style='font-family:"Calibri",sans-serif'>Dx</span></b></span>
    14321508to this value &amp; repeat simulation.</p>
    14331509
    1434 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=700 height=600
    1435 id="_x0000_i1026" src="Stacking%20Faults%20II_files/image022.gif"></span></p>
     1510<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1511 id="Picture_x0020_36" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468pt;
     1512 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1513 <v:imagedata src="Stacking%20Faults%20II_files/image040.png" o:title=""/>
     1514</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1515src="Stacking%20Faults%20II_files/image041.gif" v:shapes="Picture_x0020_36"><![endif]></span></p>
    14361516
    14371517<p class=MsoNormal>There is some improvement but some parts are not very well
     
    14491529style='font-family:"Calibri",sans-serif'>40</span></b> and try again.</p>
    14501530
    1451 <p class=MsoNormal><span style='mso-no-proof:yes'><img width=700 height=600
    1452 id="_x0000_i1025" src="Stacking%20Faults%20II_files/image023.gif"></span></p>
     1531<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1532 id="Picture_x0020_37" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt;
     1533 height:401.25pt;visibility:visible;mso-wrap-style:square'>
     1534 <v:imagedata src="Stacking%20Faults%20II_files/image042.png" o:title=""/>
     1535</v:shape><![endif]--><![if !vml]><img width=624 height=535
     1536src="Stacking%20Faults%20II_files/image043.gif" v:shapes="Picture_x0020_37"><![endif]></span></p>
    14531537
    14541538<p class=MsoNormal>That is a pretty good fit for a stacking simulation. By
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