<div dir="ltr">Good evening,<div><br></div><div>I tried experimenting with the crystallite size and microstrain features in GSAS-2, and it seems to work pretty well. I used the ESRF BM16 dataset provided in the <a href="http://www.ccp14.ac.uk/ccp/web-mirrors/balzar/div853/balzar/s-s_rr.htm#Round-Robin%20materials" target="_blank">size/strain round-robin</a> sponsored by Davor Balzar at NIST and UC Boulder.</div>
<div><br></div><div><div style="font-family:arial,sans-serif;font-size:13px"><b>Crystallite size:</b></div><div style="font-family:arial,sans-serif;font-size:13px">The domain size is believed to be 17.4 +/-0.1 nm</div><div style="font-family:arial,sans-serif;font-size:13px">
The average volume-weighted domain size determined by the participants was 22.6 +/-0.9 nm.</div><div style="font-family:arial,sans-serif;font-size:13px">My average volume-weighted domain size determined was 24 nm. (no error given in the .lst file)</div>
<div style="font-family:arial,sans-serif;font-size:13px"><br></div><div style="font-family:arial,sans-serif;font-size:13px"><b>Strain:</b></div><div style="font-family:arial,sans-serif;font-size:13px">The expected strain is ~0.<br>
</div><div style="font-family:arial,sans-serif;font-size:13px">My determined microstrain was -1.9. (this is ~0)</div></div><div><br></div><div>--</div><div style>The limitation, like any refinement, is that your answer depends on your initial guess. Even with other programs, there was mention in the discussion of the round robin that if your strain comes out high, your crystallite size becomes erroneously large to compensate. I've also noticed in some of my other refinements that I have to nudge the crystallite size to something close before it refines properly. (Otherwise it just remains roughly constant.) I hope this is helpful. </div>
<div style><br></div><div style>Warm regards,</div><div style>Mike</div><div style><br></div><div style><div><font color="#666666">--</font></div><div><font color="#666666">Michael Gaultois</font></div><div><font color="#666666">PhD Candidate <i>candidate</i></font></div>
<div><font color="#666666"><br></font></div><div><a href="http://www.mrl.ucsb.edu/~seshadri/" target="_blank"><font color="#666666">Seshadri Group</font></a><div style="width:16px;height:16px;display:inline-block"> </div>
</div><div><font color="#666666">Materials Research Laboratory 5121</font></div><div><font color="#666666">University of California</font></div><div><font color="#666666">Santa Barbara CA 93106-5121</font></div><div><font color="#666666"><br>
</font></div><div><font color="#666666">“Don’t worry about what the world needs. Ask what makes you come alive and do that. Because what the world needs are people who have come alive.” - Howard Thurman</font></div><div>
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</font></div><div><font color="#666666">“Efficiency, which is doing things right, is irrelevant until you work on the right things.” -Peter Drucker</font></div></div><div><br><div class="gmail_quote">On 13 January 2013 20:01, maykel manawan <span dir="ltr"><<a href="mailto:maykeltem@yahoo.com" target="_blank">maykeltem@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<div><div style="font-size:10pt;font-family:arial,helvetica,sans-serif"><div>Dear all,</div><div><br></div><div><br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
On page 162-164 GSAS manual, there is an explanation about the strain and particle size.</div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><br></div>
<div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">Do they work the same in GSAS-II ???</div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
<br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">What condition in sample and or refinement to be satisfied to get the trust-able result ???</div>
<div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
And what is the limitation ???</div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
<br></div><br><br><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
<br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">Best regards,</div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
<br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
<br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">Maykel Manawan<br><span style="font-style:italic">Material Science Study<br>Postgraduate Program of Faculty of Mathematics and Natural Sciences<br>
University of Indonesia,Depok 16424 Indonesia<br></span></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><span style="font-style:italic">Tel: <a href="tel:%2B6221-7872610" value="+62217872610" target="_blank">+6221-7872610</a> / Fax: <a href="tel:%2B6221-%202863441" value="+62212863441" target="_blank">+6221- 2863441</a><br>
</span></div><span style="font-style:italic">email: <a href="mailto:maykel.t01@ui.ac.id" rel="nofollow" target="_blank"><span>maykel.t01@ui.ac.id</span></a></span><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
<br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif"><br></div><div style="font-style:normal;font-size:13.3333px;background-color:transparent;font-family:arial,helvetica,sans-serif">
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<br></blockquote></div><br></div></div>