GSAS en X3 is sagteware gereedskap wat gebruik word vir die analise van poeiervormige X-straal diffraksiepatrone.

Hoe werk die Reitveld model?

Reitveld model word gebruik om die kristalstruktuur binne X-straal diffraksie data te verfyn deur die posisies en breedtes van pieke aan te pas.

Wat is die etiketmetode en hoe word dit toegepas?

In X3 word die etiketmetode gebruik om gepreferensieerde oriëntasie in dunfilms te kwantifiseer en aan te pas.

Wat is ICSD en hoe word dit gebruik?

ICSD staan vir Inorganic Crystal Structure Database, wat gebruik word om kristaldatale vir modellering te bekom.

Wat is die doel van sferiese harmoniese modelle in hierdie konteks?

Sferiese harmoniese modelle word gebruik om die kwantifisering van gepreferensieerde oriëntasie in kristalmodelle te verbeter.

GSAS-EXPGUI Workshop

00:57:47

https://www.youtube.com/watch?v=rG14YjLK9xQ

Zusammenfassung

TLDRHierdie video verskaf 'n gedetailleerde uiteensetting van hoe om die GSAS en X3 sagteware suite te gebruik vir die analise van poeiervormige X-straal diffraksiepatrone. Dit beklemtoon die stappe wat betrokke is by die skep van 'n generiese lêer in GSAS en die gebruik van X3 om die data visueel te sien. Die gids fokus op ontmodelskepping, insluitend herkalibrering en demping, en bied insigte oor struktuur modifikasie, fase toevoeging en parameters wat gebruik word om die kwaliteit van die modelle te verbeter. Belangrike modelle soos die Reitveld metode en die gebruik van die etiketmetode word bespreek, tesame met hoe om met fase mengsels en dunfilms met gepreferensieerde oriëntasie om te gaan. Verskeie nutsmiddels en parameters soos LX, GW, GU word verduidelik om die breedte en simmetrie van pieke aan te pas. Die gebruik van gespesialiseerde databasisse soos die ICSD (Inorganic Crystal Structure Database) om kristaldata te bekom en die gebruik van sferiese harmoniese modelle om gepreferensieerde oriëntasie te evalueer en te kwantifiseer, word ook uitgelig.

Mitbringsel

🧑‍💻 GSAS en X3 stel gebruikers in staat om visuele analise van poeiervormige X-straal diffraksiepatrone te doen.
🔍 Die proses behels die skep van 'n generiese lêer in GSAS en gebruik X3 om data te visualiseer.
⚙️ Rietveld-herkalibrering is 'n kerntegniek gebruik vir modellering van kristal struktuur.
🌐 Databasisse soos ICSD is nuttig vir die verkryging van kristaldata.
📊 Geskikte dempwaardes verbeter die affiniteit van modelle.
📊 LX en ander parameters is noodsaaklik om pieksimmetrie aan te pas.
🔄 Reitveld metode en etiketmetode help by die verwerking van verskillende fase mengsels.
🧪 Gebruik van sferiese harmoniese modelle kwantifiseer gepreferensieerde oriëntasie.
🗃️ Fase toevoegings in modelle moet akkuraat wees vir beter analise.
💡 Die video bied 'n stap-vir-stap gids vir die gebruik van die GSAS en X3 sagteware suite.

Zeitleiste

00:00:00 - 00:05:00
Die spreker bespreek die gebruik van GSAS en X3 sagteware vir die analise van poeier X-straal diffraksiepatrone. Die proses begin met die skep van 'n generiese lêer in GSAS voordat dit in X3 gevisualiseer kan word. Die voorbeeld behels annotase titaandioksied en die opstel van 'n eksperiment om rekristallisasie te modelleer.
00:05:00 - 00:10:00
Die spreker beklemtoon die verkryging van fase-inligting uit die ICSD databasis, die seleksie van hoë kwaliteit kristaldata, en die gebruik van SIF-lêers as 'n beginpunt vir modellering. Hierdie fases word by die projek gevoeg en vorm die basis vir verdere verfyning.
00:10:00 - 00:15:00
Die gesprek verduidelik die invoer van data in die GSAS-formaat vir histogramme en die gebruik van die PowerPref-funksie vir aanpassing. Daar word gefokus op die pasmaak van modelle aan werklike data deur middel van verfyning en die belang van korrekte agtergrondinstelling.
00:15:00 - 00:20:00
Verfyningsprosesse sluit die aanpassing van piekhoogtes, posisies, en die agtergrond in om die kristalmodel akkuraat te maak. Die spreker gebruik 'n Chi-kwadraat waarde om die akkuraatheid van die model aan te dui en stel verdere aanpassings voor.
00:20:00 - 00:25:00
Die spreker ondersoek die invloed van kristallietgrootte met die LX-parameter en bespreek verdere verfyningsmetodes om die modelresultate meer akkuraat te maak, insluitend die aanpassing van piekprofiele en die agtergrond.
00:25:00 - 00:30:00
Daar word gewys op die hantering van veelvuldige fases en hoe die sagteware fasefraksies kan bereken met behulp van gewigsverhoudings. 'n Nuutlakeerde voorbeeld word gedemonstreer met annotase en rutile mengsels.
00:30:00 - 00:35:00
Dunfilmvoorbeelde word bespreek met spesiale aandag aan voorkeursorientasie-effekte, wat die tradisionele Rietveld-metodes uitdaag. Daar word gebruik gemaak van die Label-metode om voorkeursorientasie-effekte te verreken.
00:35:00 - 00:40:00
Die gebruik van die rekordmetode en die aanpassing van ander parameters soos simmetrie, spanning, en basiese lyne om akkurate modelle uit te werk word gedemonstreer. Verskeie aanpassings van agtergrond en parameters word bespreek.
00:40:00 - 00:45:00
Die spreker bespreek die gebruik van die sferiese harmoniese model om voorkeursorientasie te kwantifiseer. Hierdie metode laat 'n meer gedetailleerde analise toe en die tekstuurindeks dien as 'n maatstaf vir tekstuureffekte.
00:45:00 - 00:50:00
Die proses word herhaal vir alternatiewe konfigurasies van dunlae met verskillende deposito-tye, en vergelyk die voorkeursorientasie-indekse tussen monsters. Daar is verdere bespreking oor die gebruik van tekstuurindekse vir vergelykings.
00:50:00 - 00:57:47
Die samevatting sluit af met die belangrikheid van praktyk en die gebruik van handleidings om die volledige potensiaal van die sagteware te leer ken, en beklemtoon die relatiewe intensiteit van pieke vir kristallografiese analises.

Mind Map

Video-Fragen und Antworten

Wat is GSAS en X3?
GSAS en X3 is sagteware gereedskap wat gebruik word vir die analise van poeiervormige X-straal diffraksiepatrone.
Hoe werk die Reitveld model?
Reitveld model word gebruik om die kristalstruktuur binne X-straal diffraksie data te verfyn deur die posisies en breedtes van pieke aan te pas.
Wat is die etiketmetode en hoe word dit toegepas?
In X3 word die etiketmetode gebruik om gepreferensieerde oriëntasie in dunfilms te kwantifiseer en aan te pas.
Wat is ICSD en hoe word dit gebruik?
ICSD staan vir Inorganic Crystal Structure Database, wat gebruik word om kristaldatale vir modellering te bekom.
Wat is die doel van sferiese harmoniese modelle in hierdie konteks?
Sferiese harmoniese modelle word gebruik om die kwantifisering van gepreferensieerde oriëntasie in kristalmodelle te verbeter.

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Untertitel

Automatisches Blättern:

00:00:00
today I'm going to be talking to you
00:00:02
about how to use the gsas and X3
00:00:06
software suite for
00:00:10
analyzing your X-ray diffraction
00:00:12
patterns
00:00:13
happens this is for analyzing powder
00:00:16
x-ray diffraction patterns rather than
00:00:20
looking at single Crystal data the first
00:00:24
thing that you do when you use gsas and
00:00:26
X3 is your first open gsas
00:00:29
and you just have to create a generic
00:00:31
file that then you can then
00:00:34
visualize and excrete so gsas is kind of
00:00:38
like the older version that you can do
00:00:40
stuff in DOS and you can just type lots
00:00:43
of information into that but to actually
00:00:45
visually see what's going on XP is what
00:00:48
you use but but you need to set up an
00:00:51
experiment using gsess so sorry you do
00:00:53
that by pressing setup experiment name
00:00:55
you give this photo an arbitrary name
00:00:58
and our first example we'll be looking
00:01:00
at is is annotase titanium dioxide so
00:01:03
just call it annotase
00:01:06
yes we'll create that file
00:01:10
and I think I made it on the desktop
00:01:11
here
00:01:13
so I hope it
00:01:15
I'm not sure where it was then you have
00:01:18
to press setup expedit so experiment
00:01:21
edit
00:01:23
okay and it says do you want to create
00:01:25
this file on your desktop yes
00:01:27
what will we call it annotes and now
00:01:29
it's appearing
00:01:31
do I want to do anything else so it
00:01:33
gives you a whole list of options of
00:01:34
what you can actually do within the gsas
00:01:38
software
00:01:40
but I don't like dos format I like to
00:01:42
see what's going on I like a user
00:01:45
interface so I'll just press X for now
00:01:47
and exit it so I've just basically made
00:01:49
myself a nice blank file here and I
00:01:52
can't but that's
00:01:55
nothing's been entered yet
00:01:57
now
00:01:59
um I've got some examples in X3 that
00:02:03
I've already got set up okay so here are
00:02:06
the examples
00:02:09
and first we're going to look at and
00:02:11
annotate powder and we're going to do a
00:02:14
rebuild refinement for that
00:02:16
now I know how to do recoil refinement
00:02:18
and label refinements okay so if you're
00:02:22
powder there's no thermodynamic effects
00:02:25
on
00:02:26
which
00:02:28
Crystal planes it grows so it grows into
00:02:31
what what is in the literature you know
00:02:33
the the different Peak Heights are what
00:02:36
the literature powder pattern would have
00:02:37
so basically there was no strain on
00:02:40
which in which it was growing it just
00:02:42
grow to where it's thermodynamically
00:02:44
Optimum state in different Crystal
00:02:46
planes different uh orientations
00:02:49
so the refill model is great for that
00:02:51
okay
00:02:53
but then if you want to do a label
00:02:54
refinement
00:02:56
where you just relax that structure
00:02:58
Factor that's that's it you know
00:03:02
constraining that model
00:03:04
so you can use it there will find model
00:03:06
if you have preferred orientation
00:03:08
effects
00:03:09
and I'll teach you how to deal with that
00:03:11
as well so for now we'll just model
00:03:14
a powder
00:03:16
which grows very similar to what you see
00:03:19
in the literature
00:03:20
in terms of its preferred orientation so
00:03:23
we'll just use the x-free software now
00:03:26
and it will ask you okay open up this
00:03:29
file so I've created this blank file
00:03:32
here annotates experiment I'm just going
00:03:35
to move it to the powder
00:03:37
here to delete this blank that I made
00:03:39
earlier
00:03:42
so in in export you I can go to these G6
00:03:45
examples and it taste powder wheat but I
00:03:48
can then open this experiment
00:03:51
and this is the user interface okay so
00:03:54
I'm going to teach you how to do a
00:03:55
rebuild model
00:03:56
and a label equally weighted model
00:04:00
um so the first thing you want to do is
00:04:03
enter what phase you're trying to model
00:04:06
so before you even go into this software
00:04:09
and you're thinking I'm going to model
00:04:10
my pattern you should first use the
00:04:13
correct software to identify what phases
00:04:16
are present
00:04:18
so once your identify it is and for this
00:04:20
particular example it's annotase
00:04:22
you can then add that phase here
00:04:25
so what phase where do I get this phase
00:04:28
from well you can get it online
00:04:32
from the crystal Orchestra database TSD
00:04:38
so if you're going to be modeling
00:04:40
patterns quite Lily
00:04:42
what I recommend you do
00:04:44
is you become a member of the icsd
00:04:49
do using the icsd
00:04:53
is you can just search for that
00:04:55
particular material that you know it is
00:04:57
okay so then
00:05:00
um I know chemistry
00:05:03
of this material called Anna taste
00:05:05
that's the middle of the material
00:05:07
called Anna taste
00:05:12
okay and then it will give you
00:05:15
um you know all of the standards that
00:05:17
have been uploaded to the system
00:05:18
and what I like to do is I'd like to
00:05:21
click on this filter and just take high
00:05:23
quality crystal data only
00:05:25
and then you can click on any of these
00:05:26
that are of interest to you say this one
00:05:29
and show a detailed view of it
00:05:32
and it will give you
00:05:35
the paper in which it was published
00:05:38
um
00:05:39
sorry the the title of that publication
00:05:42
where it was published I think is
00:05:45
somewhere as well I can't see oh here it
00:05:47
is
00:05:48
so then you have a reference
00:05:50
yeah
00:05:52
um and it will give you some structural
00:05:54
parameters and information
00:05:55
it will also give you
00:05:58
um a pattern of how it looks and you can
00:06:00
config configure that pattern
00:06:02
you can tell it to display the indices
00:06:07
so then you can you can know oh okay
00:06:09
that's the one zero one plane one zero
00:06:11
three zero zero four one one two Etc
00:06:14
and you can even change it so you can
00:06:16
change the minimum or maximum values
00:06:18
that you want to change this range here
00:06:21
for instance from 10 to 20 degrees two
00:06:23
feet of there's no information so you
00:06:25
might just want to go from 20 elements
00:06:26
and then you can extract that by
00:06:29
pressing export X Y data okay
00:06:33
so you also need to know when you're
00:06:35
doing your X-ray diffraction
00:06:37
you need to know what was your X-ray
00:06:39
source
00:06:40
so
00:06:42
um here to get this
00:06:44
standard you know as a sort of a
00:06:47
starting point for the model you have to
00:06:49
export a Sif file
00:06:52
so export that Sif
00:06:54
and using that Sif
00:06:56
I'm ready to put it here so it's the
00:06:58
same it's the same thing here
00:07:00
so this will be kind of like my starting
00:07:02
point of what I'm trying I'm going to
00:07:04
take the starting point and actually
00:07:06
make it reach what I've got Okay so
00:07:10
in this phase section you add the phase
00:07:13
I've got a sip file
00:07:15
[Music]
00:07:17
and I'm going to upload this zip file
00:07:20
press continue to just say okay okay
00:07:22
yeah yeah
00:07:24
put all of those things in thank you
00:07:26
and now this is the first phase that
00:07:29
we're gonna it's a starting point and
00:07:31
we're going to refine that starting
00:07:32
point to match our actual data that
00:07:34
we've got but I haven't even uploaded my
00:07:36
data yet that's the next thing I have to
00:07:38
do so under the histogram tab you add
00:07:42
so when you go to histogram you click on
00:07:44
add new histogram
00:07:47
and if you select your data file
00:07:50
but it has to be in the correct format
00:07:53
which I haven't shown you how to do
00:07:56
so
00:07:58
if you have
00:07:59
your data it's simply like this so you
00:08:02
have degrees two feet on the left and
00:08:03
counts on the right
00:08:05
that that's something that's that's
00:08:07
handy
00:08:08
a handy way of having your data then you
00:08:10
can convert that into a gsas format okay
00:08:13
so using this called convex.exe tool you
00:08:18
can do that and so the file type that
00:08:20
I've got is just a simple ASCII and I
00:08:22
want to convert that to a GSS
00:08:26
so I select the file that I want to
00:08:28
convert
00:08:29
so that is um
00:08:32
where is that it's under C drive
00:08:46
I thought it was here
00:08:52
[Music]
00:08:57
okay
00:08:59
there it is
00:09:01
looking forward to adapt file the ATF
00:09:03
but it was a DOT txt file so I didn't
00:09:05
see that but they're both equivalent I
00:09:08
think for the software so it's fine so
00:09:10
now press do that convert thing
00:09:15
and then here I get my this is that
00:09:18
ASCII file but just in a gsas format
00:09:20
that likes to see the data of your X-ray
00:09:24
pattern
00:09:26
so now within the software I can load
00:09:28
you know as I said before go to
00:09:30
histogram add new histogram I can load
00:09:32
this histogram here by looking at
00:09:35
for that gsas file
00:09:38
if you're pressing open
00:09:41
we like it it is a gsas format I know
00:09:44
it's fine
00:09:45
then you have to just select bank then
00:09:47
you have to put an instrument collab
00:09:49
instrument parameter file so this is
00:09:52
something that whoever's in charge of
00:09:54
that machine they'll have an instrument
00:09:55
parameter file for that specific xrd
00:09:57
machine and within that instrument
00:09:59
parameter file it'll have information as
00:10:02
I told you before about is it coppers my
00:10:06
source
00:10:07
um
00:10:09
of X-rays and other information that's
00:10:12
vital
00:10:14
for this software I've already got that
00:10:17
information here it's got broad Phillips
00:10:18
the ins it's a bit old but it works
00:10:23
so I'll just add that
00:10:27
and then press add and everything's done
00:10:29
now
00:10:31
now if I ever want to see what's going
00:10:34
on I press the live plot button
00:10:36
but I can't see anything yet because I
00:10:39
haven't told it any changes that I've
00:10:41
made I haven't told the software okay
00:10:43
make those changes and to do that I
00:10:46
don't know what the hell these buttons
00:10:47
mean but you have to press powerpref
00:10:50
wow
00:10:51
and then join us
00:10:54
so all of the stuff I've just done so
00:10:56
adding the face adding my so that's a
00:10:59
phase in which we're going to starting
00:11:01
point
00:11:01
and then adding my actual x-ray data now
00:11:04
I can actually see it on the live plot
00:11:07
so these X's are my data
00:11:12
the green line is just the background
00:11:13
but it's drawn for me and the red is the
00:11:16
model
00:11:17
so as you can see the model
00:11:20
is kind of in the right place but the
00:11:22
heights aren't right okay so that's
00:11:24
something that that needs to be refined
00:11:26
I'm guessing also the bits won't be
00:11:28
correct so you can see the position is
00:11:30
slightly out there are many things that
00:11:31
we need to start to refine to get this
00:11:33
get this to work
00:11:36
but I think first thing first is just to
00:11:37
check that the background's okay
00:11:42
and if I zoom in
00:11:44
I can see that my background pretty much
00:11:46
goes through my noise
00:11:49
there's no point in really editing it in
00:11:51
this case
00:11:52
um but there are cases where you have
00:11:54
like a broad background because the
00:11:56
amorphous uh glass substrate is is
00:12:00
giving you something there could be
00:12:02
other reasons
00:12:04
so then you have to draw it back on
00:12:06
through that
00:12:08
and you can do that by clicking add and
00:12:11
so forth but I'll show you how to do
00:12:12
that later for an actual scenario where
00:12:16
it's important to do it
00:12:18
now let's actually start modeling or
00:12:21
we'll soon start modeling things one
00:12:23
thing that's important is the profile
00:12:24
now a lot of you guys are dealing with
00:12:27
thin films
00:12:28
and this peak cutoff is just simply not
00:12:31
wide enough to deal with the widths of
00:12:34
the piece that you get because we're
00:12:37
dealing with quite Nano crystalline
00:12:39
materials quite often so we need to
00:12:41
change this P card off we need to add a
00:12:43
couple of zeros okay
00:12:45
and there's something called damping now
00:12:49
the higher my damping value the shorter
00:12:52
the steps the software will take in
00:12:55
finding the local minimum okay when it's
00:12:57
trying to fit a model to your data okay
00:13:02
so it's always advisable to start with a
00:13:04
high number
00:13:05
and move slowly towards that local
00:13:08
minimum rather than going huge steps
00:13:10
because you can really mess things up
00:13:12
so I just like the number seven I think
00:13:14
it's quite lucky
00:13:15
so I've done that to phase as well cell
00:13:18
damping
00:13:19
so I think we're ready to start modeling
00:13:23
things
00:13:24
so
00:13:25
you're going to do a week Board model
00:13:27
it's already stuck on the beatboard here
00:13:30
and each cycle will do seven cycles of
00:13:32
modeling
00:13:33
so I'm going to start modeling the face
00:13:36
and nothing else so I'm just going to
00:13:38
move the positions of the Peaks so one
00:13:40
thing here is called scaling so if you
00:13:42
remember the heights of my model
00:13:44
we're not close to matching the heights
00:13:46
of my
00:13:48
um actual data
00:13:50
this is ticked on so it's gonna it's
00:13:52
gonna move that the heights the peak
00:13:54
Heights to the correct place I don't
00:13:55
change the damn thing here that's not a
00:13:57
big problem
00:13:58
so now to start modding it I press
00:14:00
Powerpuff
00:14:02
and then join us
00:14:05
and that's modeling it
00:14:07
and here my reduced Chi Squared is 32 so
00:14:10
it's obviously not great there are some
00:14:11
issues
00:14:13
that we're going to have to fix
00:14:16
[Music]
00:14:20
again it's just not getting there I
00:14:22
think maybe we need to keep it going so
00:14:25
we'll press genre again
00:14:31
all right
00:14:34
and we'll just keep pressing until it's
00:14:36
replied there we can see that slowly
00:14:38
slowly my Chi Squared is going down
00:14:41
now it's 17.
00:14:43
and let's have a look at the Life part
00:14:45
see how we're doing
00:14:47
so we're getting much closer
00:14:50
it was just the scale factor was a
00:14:52
problem so I'm just going to keep going
00:14:54
so I'm going to increase this number
00:15:00
just so we can get the scale factor in
00:15:02
the correct place but it's not really
00:15:03
changing much now there are other things
00:15:05
that I need to change
00:15:07
now in terms of the profile
00:15:09
the profile
00:15:12
is things that change the width and
00:15:14
asymmetry of your Peaks it can also
00:15:16
shift your Peaks as well so the main
00:15:19
three things that I use
00:15:21
that I think are really important are
00:15:22
really handy ones are LX l y and shift
00:15:26
now LX
00:15:28
it's to do with
00:15:29
the average crystallite of your material
00:15:32
the average crystallite size
00:15:34
so that's probably one of the first
00:15:36
things that you want to model but it
00:15:38
just depends so shift
00:15:41
sometimes you need to shift your two
00:15:43
Theta data because you didn't align your
00:15:46
sample very well okay so when you do an
00:15:49
x-ray diffraction pattern you need to
00:15:51
make sure that the height of the sample
00:15:55
is in the correct place
00:15:57
in this case I'll be starting with just
00:16:00
modeling LX now whether whenever you
00:16:03
check or uncheck a box in retail mode
00:16:06
you always have to press Powerpuff first
00:16:08
and then join us again before you start
00:16:10
modeling things
00:16:14
and now my Chi Squared is down to 12. it
00:16:17
means things are getting quite good and
00:16:19
as you can see it is getting quite good
00:16:23
it's getting quite close
00:16:25
I just need to continue refining and
00:16:29
hopefully we'll get there
00:16:34
okay
00:16:35
so right now I finally have my refined
00:16:37
cell that is changing a A and C because
00:16:41
a is equivalent to B it's changing a and
00:16:43
C of my unit cell
00:16:45
the width of my unit cell and and length
00:16:48
and right now it's currently changing
00:16:50
the average crystallite size so it's
00:16:52
doing all of these things so try and
00:16:54
match my pattern
00:16:58
but as you can see
00:17:00
it's not really changing much now
00:17:04
and it's not quite reaching the width
00:17:06
that's predicted
00:17:09
I think there's perhaps there's a
00:17:11
problem with the pattern
00:17:16
well the way it's trying to model these
00:17:17
points too much down here rather than
00:17:19
the points up here
00:17:21
so maybe I have to change this manually
00:17:23
because it's not doing a very good job
00:17:26
so right now it's
00:17:29
four
00:17:32
yeah that number is four so I'm just
00:17:34
going to change it manually to say
00:17:37
two
00:17:40
and not model it and see if that helps
00:17:42
things along
00:17:49
let's make things worse
00:17:56
that's a bit weird isn't it shouldn't be
00:17:58
doing that
00:18:04
I think the issue is that this peak
00:18:07
is quite wide
00:18:10
whereas it matches quite well with the
00:18:11
other piece
00:18:14
so I should leave it as it is and let it
00:18:16
just refine that but I'll change the
00:18:18
damping a bit so it can go in bigger
00:18:20
steps
00:18:24
so it's modeling quite well
00:18:28
on average all of the pizza being
00:18:29
modeled quite well
00:18:36
I think that's the best it's going to
00:18:38
get for that Peak but for the rest of
00:18:39
these Peaks it's doing quite a good job
00:18:43
ish
00:18:44
so
00:18:46
there are other sort of fighting things
00:18:47
that you can do to try and improve that
00:18:49
so let's just try it
00:18:52
and changing
00:18:54
The Strain perhaps The Strain is causing
00:18:57
an issue I doubt it
00:19:03
it's not strong maybe a there's a slight
00:19:06
error in the measurements needs to be
00:19:08
shifted
00:19:15
again that's not the issue now we come
00:19:19
to these parameters gug and GW
00:19:22
now this just changed the changes the
00:19:24
gaussian shape
00:19:26
um of your material to try and make it
00:19:28
match
00:19:29
what I prefer to deal with LX first
00:19:32
before I deal with anything else because
00:19:33
this is actually a real
00:19:35
a number that you can then relate to
00:19:37
crystallite size and these numbers you
00:19:38
can't really relate to crystallite size
00:19:40
so it's best not to fight with these
00:19:41
first it's best to fight about these
00:19:44
things afterwards okay
00:19:47
so
00:19:48
let's start with gu and see if we can
00:19:50
improve things
00:19:55
and that's made things not better at all
00:20:01
[Music]
00:20:04
I just have a feeling that it's not
00:20:06
going to get any better
00:20:08
it's not bad
00:20:12
but it's not great either
00:20:14
after this example I hope you understand
00:20:16
how then we've got these we've got the
00:20:18
lettuce parameters now
00:20:20
and again from the profile we've got LX
00:20:22
which can be related to the average
00:20:24
crystal out size of the material using
00:20:27
this equation here
00:20:32
so normally we take it from the share
00:20:34
operation normally we take k
00:20:36
as some arbitrary number around 0.9 is
00:20:39
often what's used
00:20:41
and X here will be your LX number and
00:20:44
this will give you the average Crystal
00:20:45
Light size in amstrongs
00:20:47
okay so don't forget to convert it to
00:20:49
nanometers which is the convention
00:20:51
in our field
00:20:53
as materials
00:20:55
scientists
00:20:57
so I think that example is a bit much
00:20:59
done but one thing it can do is if you
00:21:01
press results
00:21:02
in list View
00:21:06
it lists some really important things
00:21:09
that we've just modeled for instance Chi
00:21:11
Squared so that's the measurement of how
00:21:14
good our fit is
00:21:15
but generally
00:21:17
what people like as as crystallographers
00:21:19
as the wrp value and if this wrp value
00:21:23
is low so 0.58 I don't think is that
00:21:27
great we didn't get it so the model fit
00:21:29
very well to the model
00:21:33
um and also you can then if you scroll
00:21:35
down
00:21:36
you've got your a b and c that's my unit
00:21:40
cell parameters for my check trigonal
00:21:42
annotation itself and this is the error
00:21:45
associated with each value is coded
00:21:47
below
00:21:48
so that's also interesting to have
00:21:52
okay
00:21:55
so move on to the next example
00:21:59
so the next example we have
00:22:03
is a phase mixture
00:22:10
[Music]
00:22:13
so we have an annotate root tile powder
00:22:16
phase mixture
00:22:23
[Music]
00:22:24
let's have it have to give it a blank
00:22:26
experiment file
00:22:28
I'll just call it annotated root cell
00:22:33
mixture
00:22:35
not open it here
00:22:41
so again I'll add the phases so from the
00:22:45
database I've already got my annotating
00:22:47
retail files
00:22:52
I'll add those
00:22:54
so my first phase is annotase
00:22:57
my second phase I'm adding is router
00:23:01
foreign
00:23:03
[Music]
00:23:14
which I might need to convert using
00:23:16
convex yep
00:23:39
put my instrument parameter file
00:23:42
press add
00:23:45
and then press power prep
00:23:48
and join us so it can register those
00:23:50
changes those additions I've just made
00:23:53
and see it on the live clock
00:23:56
at this time you can see we have more
00:23:59
Peaks
00:24:00
so this is the P that we saw earlier
00:24:03
this is the annotate101 peak and now
00:24:06
this is the root r110p
00:24:09
there'll be more we'll be modeling both
00:24:11
phases
00:24:12
together
00:24:13
so if we can see the backgrounds
00:24:17
it's a pretty flat background so I don't
00:24:21
need to modify that at all so it's quite
00:24:23
fine
00:24:26
so what I'll do is
00:24:28
again I'll dampen my cells
00:24:40
change my Peak cutoffs make it slightly
00:24:42
wider
00:24:50
and then I'll start to model things
00:24:52
first thing I'll do is I'll just model
00:24:54
the phases the Emma tase number one
00:24:56
phase root of number two face
00:24:59
remember in default modes you check
00:25:02
things press Powerpuff first then drawn
00:25:04
us afterwards in about in the barrel
00:25:06
mode it's different
00:25:09
now I'll just let it refine for a while
00:25:12
17 cycles and my
00:25:16
chi-squared value is not going down a
00:25:19
huge deal
00:25:20
now we're starting to get better
00:25:29
I will find again
00:25:31
it's not getting much better let's take
00:25:34
a look at how that model is fitting my
00:25:37
data it's not doing a great job okay and
00:25:40
that's because I haven't modeled the
00:25:43
face factions
00:25:45
okay so under scaling you can tell these
00:25:49
face fractions okay start start to let
00:25:52
it go to what is the true base fraction
00:25:55
now because it starts off with a number
00:25:57
one and one that that doesn't
00:25:58
necessarily mean 50 50. okay
00:26:03
um because
00:26:06
your different phases have different
00:26:09
densities and they defect and x-rays
00:26:12
slightly differently
00:26:14
so you have it the software takes us all
00:26:16
into account so one one here does not
00:26:19
necessarily mean 50 50. I'll tell you
00:26:21
how to get the real
00:26:23
face fractions out afterwards but for
00:26:26
now we will find those
00:26:30
file press
00:26:32
and jobless before second side
00:26:43
we'll do that again
00:26:46
thank you
00:26:53
it's doing okay it's just not going to
00:26:55
the right Peak Heights I think I need to
00:26:57
start modeling the width of my piece
00:27:04
so now under profile again I'll start
00:27:06
with my LX
00:27:09
which is related to my average Crystal
00:27:11
Light size
00:27:15
and you're finding that
00:27:21
it doesn't oh it's gone a bit weird
00:27:29
and it's fine now
00:27:36
some reason it's going very strange at
00:27:38
the end
00:27:42
[Music]
00:27:43
what's going on
00:27:48
I guess I have too many things checked
00:27:51
so
00:27:55
um I'll just put some arbitrary numbers
00:27:57
here and try and figure out what's going
00:27:59
on
00:28:00
it's a good thing when things go wrong
00:28:01
in the sense that you can learn how to
00:28:04
fix them as
00:28:13
okay that's working fine now what I'll
00:28:16
do is I'll just turn the scaling off
00:28:19
and
00:28:22
the letters parameters off
00:28:23
but then now you find
00:28:26
the average Crystal size because
00:28:28
sometimes in your model if you have too
00:28:29
many variables
00:28:31
it's not a good thing
00:28:36
it seems behaving itself a bit better
00:28:39
now
00:28:41
again it's not perfect
00:28:42
[Music]
00:28:44
but it's quite close
00:28:47
okay
00:28:48
so that's not bad
00:28:50
and again you can go through many
00:28:51
iterations of trying to improve the
00:28:53
average crystallite size or if there's
00:28:55
an error in your shift because you think
00:28:57
the samples misaligned
00:28:59
or if there's any strain
00:29:01
things like this you can play around
00:29:03
with go through many iterations until
00:29:05
you reach the optimum
00:29:07
the one thing that I think is pretty
00:29:08
interesting using the light bot if
00:29:11
you're not familiar with where the Peaks
00:29:13
are you can look at tick marks so if you
00:29:16
press tick marks phase one it shows you
00:29:19
where all of the Peaks are the annotate
00:29:21
space I'm just tick marks
00:29:26
phase two
00:29:28
it shows you all the Peaks where
00:29:30
the rutile phases
00:29:35
okay
00:29:37
so here here
00:29:40
Etc and one thing once you're done
00:29:42
modeling your pattern if you want to
00:29:44
have all of this information in a way
00:29:46
that you can then publish it
00:29:48
you can press file export plot as a CSV
00:29:51
file
00:29:54
and then you can open this CSV file
00:30:03
all right
00:30:10
in Excel
00:30:16
okay
00:30:24
so then you have potato and you can play
00:30:27
about it however you want
00:30:37
so now in terms of getting the phase
00:30:40
fractions
00:30:41
what we can do is we can again press
00:30:43
results
00:30:45
list View
00:30:50
and it tells you the wrp which is a
00:30:52
measure of the error
00:30:58
so it's too wind
00:31:02
your Chi Squared again is another
00:31:03
measure of the arrow
00:31:05
so used to for your histogram
00:31:09
it gives you information about
00:31:13
uh let's say okay
00:31:17
oh because we weren't modeling the
00:31:19
lattice parameters in the last cycle it
00:31:22
doesn't show us to those parameters
00:31:24
so what I'll do is I'll turn these
00:31:26
things off
00:31:27
these things back on
00:31:41
check that everything's okay
00:31:45
it's fine now I can press results
00:31:48
this View
00:31:52
and then once we scroll down
00:31:56
foreign
00:32:04
this is my a b and c my lattice
00:32:06
parameters the errors
00:32:08
phase two the last parameters and errors
00:32:13
and I think
00:32:17
okay
00:32:21
okay here we are
00:32:22
so phase element fractions for phase
00:32:25
number one weight fraction is 0.42
00:32:29
and weight fraction is 0.57 for phase
00:32:31
number two
00:32:32
so it's from these weight fractions that
00:32:35
then you get your uh
00:32:39
your composition
00:32:41
okay
00:32:43
now I'm dealing with the same phase the
00:32:45
same
00:32:47
um chemical composition is that there
00:32:49
are two different polymorphs of to2
00:32:53
so if 0.42
00:32:56
weight fraction is annotated and 0.57
00:33:00
weight fraction
00:33:01
is rutile then that is actually my
00:33:03
composition it's 43 annotates and 57
00:33:07
router because both are different
00:33:09
polymorphs of titanium dioxide
00:33:11
but if you have two different materials
00:33:13
then the weight factions won't
00:33:15
necessarily be the atomic fractions so
00:33:18
you need to account for that
00:33:22
okay and that's that example done
00:33:27
so the next example I want to look at is
00:33:30
looking at
00:33:32
um a thin film rather than a powder
00:33:45
[Music]
00:33:49
yeah
00:33:51
so again using the software X3 we open
00:33:55
that
00:33:56
go to that
00:34:00
and because it's a thin film we have
00:34:02
preferred orientation you don't you
00:34:03
don't always get preferred orientation
00:34:05
effects within films without you very
00:34:07
often do
00:34:08
so
00:34:09
same routine
00:34:12
remember whenever you have
00:34:14
an x-ray pattern you have to identify
00:34:16
which phases are there I've already done
00:34:18
this it's just annotates
00:34:20
so I'm uploading a good starting point
00:34:24
um and annotates from the literature Sif
00:34:27
bar I've shown you how to do that
00:34:28
earlier
00:34:29
and add my histogram which I've already
00:34:31
converted to gsas before
00:34:40
okie doke so I want it to register what
00:34:43
I've just done
00:34:49
and then I look at the live plots
00:34:51
[Music]
00:34:52
so this is the the sort of
00:34:55
founding background I was telling you
00:34:56
about before it's Broad and I know that
00:34:59
I know this feature because I see it
00:35:00
often this is just due to the amorphous
00:35:03
silica glass that's underneath the
00:35:05
substrate
00:35:06
so to get rid of that rather than try
00:35:09
and model it it's made me amorphous you
00:35:12
don't really want to care to model it
00:35:14
you just have to edit the background
00:35:18
so what you do is you zoom in
00:35:21
and you click here and there where you
00:35:23
think
00:35:24
that background should be
00:35:28
and the more time and period that you
00:35:30
take with it the better
00:35:36
now sometimes with certain machines you
00:35:38
get little bumps and values of two Theta
00:35:41
because there's an error of the detector
00:35:43
or something like that so you need to be
00:35:45
aware where the artifacts are in that
00:35:48
spectrometer if that's the case if
00:35:50
there's a problem that's spectrometer
00:35:52
and model the background report will
00:35:54
draw the background accordingly
00:35:57
and sometimes at the edges the
00:35:59
background goes a bit weird so you just
00:36:01
have to add a few more points but but
00:36:04
then not add any more terms and it does
00:36:06
a better job
00:36:10
now I'll press paragraph
00:36:13
join us it should register what I've
00:36:16
just done those changes
00:36:19
and now I can see that the background
00:36:21
goes much better
00:36:23
through the data
00:36:27
the one thing I can notice straight away
00:36:30
so let's just look at the relative
00:36:31
Heights of my Peaks
00:36:34
this peak here the 112 peak in annotates
00:36:37
it doesn't show the same
00:36:39
distribution
00:36:41
as it did before
00:36:43
so
00:36:47
I know those preferred orientation in
00:36:48
that respect and over here I think this
00:36:51
is the two one one or one one two peak
00:36:54
vanities there's a problem there as well
00:36:56
so I know there's preferred orientation
00:36:58
so if I try and fit things to a record
00:37:00
model it's just not going to work
00:37:02
it'll only work if I use
00:37:05
um
00:37:06
a refill plus a March doll Ace or
00:37:10
cerebral harmonic preferred orientation
00:37:12
model added on top
00:37:15
okay
00:37:16
but if you don't care to do that you
00:37:18
don't care to quantify your preferred
00:37:20
orientation in some in some respect you
00:37:23
don't care to quantify it
00:37:24
then you can just relax those preferred
00:37:26
orientation effects using the label
00:37:28
method and I'll show you how to do that
00:37:30
but first things first let's change why
00:37:33
people cut off make it wider and change
00:37:36
my dampings accordingly
00:37:46
and now I'm ready to do my label method
00:37:48
now with lateral methods you have to
00:37:52
have everything unchecked when you press
00:37:55
half breath
00:37:57
the only thing that you can have checked
00:37:58
is the scaling nothing else can be
00:38:01
checked
00:38:02
and with the with the label method you
00:38:04
have to press power prep once
00:38:07
and then join this twice
00:38:11
I don't know why interested
00:38:14
okay now I can start to check things so
00:38:17
I want to start to refine my face so
00:38:24
I'll do it a couple of times
00:38:28
now look at my material
00:38:31
if you remember before the peak heights
00:38:33
were quite different it was
00:38:36
the distribution was the middle was the
00:38:38
highest and the two on the edges were
00:38:39
the same height but you see it's
00:38:41
starting to relax that structure Factor
00:38:44
and allow things just to fit
00:38:47
in any thermodynamic Direction okay
00:38:50
so we just need to continue to press
00:38:53
dramas
00:38:55
try and reach the local minimum
00:38:57
I can now start to model the crystallite
00:39:00
with
00:39:03
doing a much better job now my Chi
00:39:05
Squared is down to 1.8
00:39:08
it's not going to get much better than
00:39:09
that
00:39:12
and we'd be
00:39:14
almost there I'd say and you just need
00:39:16
to go and do more and more iterations to
00:39:18
try and get things to match more
00:39:19
perfectly
00:39:20
but as you can see there's some slight
00:39:22
asymmetry
00:39:23
perhaps potentially there's some rutile
00:39:26
impurity there where it could just be
00:39:28
noise
00:39:30
um so you know
00:39:32
you can then model the asymmetry the uh
00:39:38
the strain
00:39:40
so once you model The Strain you can
00:39:42
then quantify The Strain using this
00:39:45
equation here
00:39:49
where rather than just using Y minus y i
00:39:52
you just put the l y value there
00:39:55
so we can model those things or perhaps
00:39:57
you know the beam wasn't perfectly
00:39:59
aligned so let's just go through each
00:40:02
one in turn
00:40:05
and try and see if things improve or if
00:40:07
they don't
00:40:08
so there wasn't much strain
00:40:12
the beam was probably well aligned
00:40:19
and there's not a huge amount of
00:40:21
asymmetry
00:40:24
you just go through those iterations and
00:40:26
it slowly slowly will get better
00:40:28
okay another thing you can do is you can
00:40:31
model
00:40:32
your Baseline okay you can set it to
00:40:35
relax a bit and move so that piece can
00:40:37
fit better
00:40:38
and that's advisable because I've drawn
00:40:40
a line by eye I don't know what exactly
00:40:42
is the contribution from the amorphous
00:40:44
silica background
00:40:45
so it's surprisable to to put a high
00:40:49
very high damping factor and to refine
00:40:52
your background very slowly
00:41:01
I'll do that whilst refining my face
00:41:04
and my Crystal Light size
00:41:11
1.802
00:41:15
1.795 is getting slowly slowly better
00:41:19
but now it's got worse that's 1.8 and
00:41:22
that's where you call it a day for
00:41:23
refining the background it's just not
00:41:25
going to get better
00:41:28
but as you can see it's moved the
00:41:30
background a little bit shifted it to
00:41:32
allow it
00:41:34
to try and improve things
00:41:36
what you can sometimes do as well is for
00:41:38
your histogram because there's no data
00:41:40
here
00:41:41
there's no point in trying to improve
00:41:43
things so you can always
00:41:46
you can set data limits in exclude
00:41:48
regions okay so you can
00:42:17
[Music]
00:42:22
let's see if that actually works I don't
00:42:24
know if it works
00:42:30
oh it has worked okay that is fine okay
00:42:36
so now we start to model things again
00:42:40
so we'll have to edit this background
00:42:50
[Music]
00:42:55
um
00:42:55
[Music]
00:42:57
Powerpuff John is twice remember we're
00:43:00
in the bail mode
00:43:07
and now we can start to just try and
00:43:10
improve things again
00:43:25
just increase the number here so
00:43:33
the live plots he has doing and then I
00:43:35
can try and find that background again
00:43:36
to make things better but I'd say that's
00:43:39
pretty darn good I mean for a thin film
00:43:41
it's not bad at all
00:43:44
so then again as before you can go to
00:43:47
list View
00:43:48
get your errors out
00:43:50
to 0.18 that's respectable
00:43:54
and
00:43:55
you can then extract
00:43:57
the loudest parameters
00:43:59
and that's pretty much all you can get
00:44:00
from this information
00:44:02
from what we've done one thing you can
00:44:05
do if you care to quantify
00:44:08
you know the texturing they call it the
00:44:10
preferred orientation
00:44:11
you can go to results reflist
00:44:20
oh we want to look at histogram one
00:44:23
and
00:44:27
press s for all of the data
00:44:32
you just press enter and enter Etc now
00:44:35
this data here
00:44:38
it will give you
00:44:40
a couple K Alpha One and copper KL for
00:44:42
two contributions so for the 101 Peak
00:44:45
from care for one care for two
00:44:47
contributions we've got compute
00:44:48
contribution of 14.5 and 6.7 for the 103
00:44:52
we've got the 1.05 and 6.687 so you can
00:44:56
take these numbers add them and that
00:44:59
will give you the relative intensities
00:45:00
of each Peak
00:45:02
okay and then you can quantify it
00:45:04
relative to each other or relative to
00:45:07
changes versus a single Crystal
00:45:12
okay and that's that example done
00:45:14
oh
00:45:21
now we're going to look at the exact
00:45:22
same film again but this time what I'm
00:45:25
doing in the barrel mode we've been
00:45:26
doing refill mode and we're going to use
00:45:27
the spherical harmonic model
00:45:32
which I I do not claim to be any kind of
00:45:34
experts they're using
00:45:37
but it's
00:45:39
it's a way of
00:45:41
quantifying or semic quantifying the
00:45:43
amount of preferred orientation you have
00:45:49
so again I'm just going through the
00:45:51
motions now
00:45:54
have to add the face
00:45:56
you guys probably getting bored of this
00:45:58
but
00:46:04
practice makes perfect I'm going to add
00:46:06
our histogram
00:46:09
and I can't stress that anymore I mean
00:46:10
to use this software
00:46:13
practice is essential otherwise you'll
00:46:15
forget how to do these little things
00:46:21
and you might find much better ways of
00:46:24
doing it than I do
00:46:25
probably will
00:46:27
so um
00:46:32
read the manual
00:46:34
and explore things
00:46:36
so the manual is available online if you
00:46:38
just type in gsas manual
00:46:43
but it's quite detailed and quite in
00:46:45
depth and you wouldn't get the kind of
00:46:47
information the basic way of doing
00:46:49
things I'm telling you but if you want
00:46:51
to look for specific things
00:46:53
you can look here
00:46:54
under the in the uh index section
00:46:59
um
00:47:03
okay so this spherical harmonics thing
00:47:05
that I'm about to tell you is talk
00:47:07
spoken about in the gsas technical
00:47:09
manual and they refer to a paper here
00:47:12
which if you're going to use that
00:47:14
spherical harmonic model you should
00:47:16
references paper and read it and try and
00:47:19
get a grasp of
00:47:22
what it truly means
00:47:26
now I'm just gonna
00:47:28
fit my background as I did before but
00:47:30
what I think I'll do first is delete the
00:47:32
background so
00:47:38
I'm just gonna actually exclude this
00:47:40
data here
00:48:03
see if it's worked it seems to work is
00:48:06
fine
00:48:07
um
00:48:09
now I'm going to start to model things
00:48:12
first and then I'm going to show you how
00:48:14
to use the spherical harmonic model now
00:48:16
there is the marsh dialysis model as
00:48:18
well but
00:48:20
um I don't like it because
00:48:23
um
00:48:23
it's only good if you know for a fact
00:48:26
which plane
00:48:29
your material was growing so sometimes
00:48:31
if you have epitaxial growth yeah I'm
00:48:33
not sure many of us deal with epitaxial
00:48:35
growth so we're doing sort of chemical
00:48:38
depositions where it gives it that
00:48:40
flexibility to grow in many different
00:48:42
directions but whereas in other
00:48:45
materials growth for instance physical
00:48:47
Vapor depositions where you're growing
00:48:48
on a lattice matched substrate
00:48:51
you often get growth in one particular
00:48:53
direction and the march to the latest
00:48:55
function is very good so if you know
00:48:57
that it's growing State just in the 101
00:48:59
Direction you can specify one zero one
00:49:02
and give it that ratio here
00:49:05
to grow or not grow in that in that
00:49:07
particular plane and the other planes
00:49:09
will obviously go down in growth
00:49:12
subsequently but what I found was films
00:49:16
the symptoms I've made is that once you
00:49:18
enter one plane it doesn't often work
00:49:21
for one plane and then you're into two
00:49:23
or three planes to make it work
00:49:25
and you're just creating
00:49:26
whatever I mean you're opening Pandora's
00:49:29
Box because there's so many different
00:49:30
possible combinations that could work
00:49:33
so rather than doing it manually it's
00:49:35
better to just
00:49:36
let the spherical harmonic model do that
00:49:39
for you in many different planes and try
00:49:41
and get a quantitative analysis in many
00:49:42
different things
00:49:47
foreign
00:49:51
[Music]
00:50:02
just modeling the lattice parameters
00:50:07
and the crystallite width
00:50:10
it doesn't seem to get once again much
00:50:12
better because of
00:50:14
the problem with your prefer orientation
00:50:16
here you can see there's a big problem
00:50:18
with preferred orientation
00:50:21
also my background sucks so I need to
00:50:23
fix that
00:50:28
so whenever I uncheck something first I
00:50:31
press Powerpuff and joiners just so it
00:50:33
registers the change
00:50:34
then now I can fix my background because
00:50:37
that was a big problem as well for the
00:50:39
model because that background really
00:50:40
doesn't fit
00:50:43
[Music]
00:50:45
that's good job
00:50:49
refining the original one
00:50:53
it's it's similar but I like to give it
00:50:58
um
00:50:59
I'd like to start off with what my eye
00:51:01
looks good
00:51:03
and then let it move because sometimes
00:51:06
it just moves into a completely long
00:51:07
face because it doesn't know what to do
00:51:10
so I like to give it a good starting
00:51:11
point
00:51:13
so it again it's personal choice I mean
00:51:15
you could you can just go ahead and
00:51:17
press refine background without manually
00:51:19
editing it and just see how that goes
00:51:21
and plays out for you but I like to
00:51:24
do it myself
00:51:26
so now I'm going to start working the
00:51:28
spherical harmonic it's really easy to
00:51:31
use you just tell it the order
00:51:34
so I found that six or eight works
00:51:37
really well but you can you can try
00:51:38
whatever works for you and the idea is
00:51:41
to get the lowest order to work for you
00:51:43
okay but whatever you do if you're
00:51:46
analyzing a series of samples
00:51:49
um be consistent
00:51:51
so I'm going to go to eight sorry eight
00:51:55
I'm just going to try and push growth
00:52:00
in these different axes
00:52:09
I'm going to give it a high damping
00:52:13
foreign
00:52:29
things must be improving
00:52:32
and they are
00:52:34
if you look at my spherical harmonic
00:52:36
numbers they've all changed and it gives
00:52:39
you something called a texture index
00:52:41
now how it gets that texture index I'm
00:52:43
not sure I haven't read the paper I need
00:52:45
to
00:52:46
but it's something that we need to
00:52:47
understand that gives us a semi
00:52:50
quantitative parameter or how textured
00:52:53
your material is
00:52:58
so again you just continue to refine the
00:53:01
preferred orientation I've unchecked it
00:53:03
for now because I want to start to
00:53:05
refine my background
00:53:12
just a tad
00:53:21
I think that's enough maybe just a
00:53:23
little bit more
00:53:24
make sure that
00:53:29
1.329
00:53:30
[Music]
00:53:33
it's improving about the steadily
00:53:42
and again you just go through many
00:53:44
iterations of this
00:53:56
until you reach
00:53:58
a true minimum
00:54:00
and that's not bad I mean that's very
00:54:03
good actually
00:54:06
in terms of the this is the blue is the
00:54:08
air is the measurement of the difference
00:54:10
between your model and the data and it's
00:54:12
very flat so that's great that's a good
00:54:15
fit
00:54:16
okay this number here I mean these
00:54:20
numbers you can note them down
00:54:23
um but this texture index is just going
00:54:25
to give us a semi-constitutive parameter
00:54:27
that we can then compare with another
00:54:28
film that I've made
00:54:31
and that'll be the last example today so
00:54:33
it's just basically going to be a
00:54:35
repetition of what I've just done
00:54:38
talk to another sample
00:54:41
and the difference between these samples
00:54:43
is so simple
00:54:46
one sample
00:54:47
are made by chemical vertical deposition
00:54:50
using a set parameters
00:54:53
and now my deposition time is two
00:54:55
minutes
00:54:57
now
00:54:59
the second material
00:55:01
I did exactly the same thing
00:55:03
but my deposition time was for four
00:55:05
minutes
00:55:07
but there's a very big difference in
00:55:09
looking forward orientation
00:55:12
and you'll see that very soon
00:55:21
see huge preferred orientation in this
00:55:24
film there's absolutely no growth in the
00:55:26
one zero one plane under these
00:55:27
conditions for some strange reason I
00:55:30
don't know why but that that is the case
00:55:31
that was the case
00:55:33
so
00:55:35
I'm just going to
00:55:36
make sure
00:55:39
everything's okay
00:55:47
[Music]
00:56:00
foreign
00:56:12
I forgot to model my background but it
00:56:15
was pretty flat anyway
00:56:17
so I'm not sure if that's a problem
00:56:21
let me just double check my background
00:56:23
is okay
00:56:29
okay
00:56:53
because there's so much preferred
00:56:55
orientation in this form
00:56:57
the model got really confused at first
00:56:59
but now I think it's it's finally found
00:57:01
its way
00:57:07
and there we are
00:57:09
it's got an almost perfect fit as well
00:57:12
don't forget that you can export this
00:57:14
data back on some file explorer CSV file
00:57:19
but there's there's massive preferred
00:57:21
growth I think this is the 211 plan
00:57:24
and if we look at the referred or
00:57:26
notation texture index now it's 470 I
00:57:29
mean there's a huge difference in that
00:57:31
texture index
00:57:32
so it had to really really flush things
00:57:34
to make it work
00:57:36
um so this texture index gives you an
00:57:38
idea
00:57:39
of the period orientation in your form
00:57:44
um
00:57:45
and that's how you do that