For the past 5 months, i have been trying to figure out how to analyse my results on characterization of nanoparticles but indeed am so excited with this video. God bless you sir.
Thank you so much, sir. I have two question about crystallite size. 1. Why scherrer equation is valid for crystallite size up to 200 nm?? 2. If crystallite size larger than 200 nm, how to calculate crystallite size??
Thank you for watching the tutorial! Great questions. 1. The Scherrer equation is often considered valid up to 200 nm because it assumes a uniform distribution of crystallites and does not account for factors like strain or defects. Beyond 200 nm, other factors start to become significant, potentially affecting the accuracy of the Scherrer equation. 2. For crystallite sizes larger than 200 nm, alternative methods such as electron microscopy or small-angle X-ray scattering (SAXS) can be more appropriate. These techniques offer higher resolution and can provide more accurate measurements for larger crystallites. Feel free to explore these options based on the size range you're working with.
There's a formula for the Vicker's hardness in which you use the diagonal lengths of the microindentation. I'll try to include it in the tutorial series. Thanks
Thanks for watching the tutorial! In that specific video, I focused on crystallite size calculation. If you're interested in instrument broadening, check out the complete series at [th-cam.com/video/0PUTB0IhlWw/w-d-xo.html&pp=iAQB]. It covers various aspects of XRD data analysis.
Please sir we see that from TEM mean particle size have low magnitude compared with the value of crystal size … so does particles size smaller than crystal size or inverse please shown me this problem
The smaller mean particle size from TEM compared to crystal size could be due to differences in measurement techniques, where TEM measures actual particle size, and XRD measures crystallite size. Factors like particle aggregation, polycrystallinity, surface effects, and differences in sample preparation or calibration can also contribute to this discrepancy. If you have more details on the measurements, I can offer more specific insights. Thanks
I used a pulsed laser in 5 ml of distilled water and deposited the colloidal solution on small pieces of silicon for the purpose of performing an XRD test. I performed a TEM of the solution and the results were as I indicated. There is a difference between the TEM and XRD values with respect to the crystal size and particle size, noting that the targets were silver and gold. @@SAYPhysics
Thanks for the appreciation dear. Theta is the goniometer angle, plotted as 2theta on the x-axis, which is in degrees as we move it around the sample. While beta is the measure of fwhm, which by its equation in radians. These are as per literature, whose references are provided in the video description. Thanks
i have origin 2022 pro and when i click on ok i do not see this complete data sheet as you got in the video instead i am getting that small grey box only
You're right for β to be in radian, while 𝜽 is to be in degrees. I've confirmed it through literature as well as the modern software (like Highscore etc.) are using the same to calculate the crystallite size. Thanks
The value of beta is provided by origin in radian which I have converted into degrees as per requirements of the equation. Please check in the video description the Excel file in which I have done the calculations you can see in the file that when you take radian of a radian value then it is converted into degrees. Thanks
How do you assign error valuation for the average crystallite size ? Assuming contribution from instrument and strain be ignored, what is the error contribution from FWHM ?
As you know, different peaks have been taken into account instead of the very intense peak only. The average crystallite size covers many contributing factors. Thanks
Here, Origin gives the value in radian and in the Scherrer equation we need it in degrees,, so in Excel template, which is available in the video description , we convert it into degrees. Whatever calculations you are saying, Excel is doing it itself. Use the provided template for calculations, please. Thanks
As per me, you are considering the doublet as a single reflection and collecting the FWHM (for example at video time 6:20 min). Is this the correct way to estimate the crystallite size, I don't think so you are getting accurate crystallite sizes.
You are right. In general, it is not recommended to consider a doublet as a single reflection for calculating the crystallite size from XRD data, as this can lead to inaccuracies in the results. This is because a doublet typically indicates the presence of multiple crystallographic domains or twinning, and treating it as a single reflection can result in an overestimation of the crystallite size. However, it is always better to consider all the peaks and then finally take the average of all the calculated crystallite sizes, as explained at 07:50 of the video. As a cross-check, we can compare the calculations from a single reflection and then of the average to confirm these calculations in the video. Thanks for your input.
@@SAYPhysics taking average can help you when consider particular hkl planes , per example 00l. Every reflection indicates/arising from particular hkl plane. Insuch case you can not consider doublet as a singlet. If you want to get quatitateve size then you have to use siglet only. I can not agree singlet can giver over estimation of size. And one more thing origin program not use for quantitative data it's just for rough idea. For more basics kindly read any crystallography text.
Excellent video and excellent explanation..one question though ..why didnt u take xray wavelength in nm in sherrer equation ..ur answer was in nm but xray wavelength was in angstrom
Thanks for the appreciation dear. Answer will remain the same. If you convert it first from angstrom to nm or later. From the machine specs, we get it in angstrom. Thanks
Thanku sir.. but I have a question that how crystallite size affect the properties of a material and which one is better, a small crystallite size or large? Thank you
I don't know which properties you're interested in. Let me say few things generally. The smaller the crystallite size, the more efficient the sintering (lower possible sintering temperature). However, the drying and firing shrinkage will be very high. The hardness of a material increases as the crystallite size decreases. Thanks
@SAYPhysics Sir very helpfull video. Thanks very much.... I have a short question.... Sir in your Excle formula you devided the whole formula 10 that is not existed in equation? can u elaborate for me plz
k is a dimensionless shape factor (typically around 0.9). The value of k in the Scherrer equation is not dependent on the type of Bravais lattice. It is a constant that depends on the shape of the crystalline domains and the instrument used. In practice, k is often determined experimentally by measuring the size of well-characterized standard samples with known crystallite sizes. Thanks
Nice explanation! Shouldn't we consider the weighted arithmetic average? As the peaks have different intensities, they contribute differently in the average.
Somehow you're right Oliveira. Let me elaborate what do you mean actually. The weighted arithmetic mean is similar to an ordinary arithmetic mean (the most common type of average), except that instead of each of the data points contributing equally to the final average, some data points contribute more than others. Now, if all the weights are equal, then the weighted mean is the same as the arithmetic mean. The facts is, as different peaks represent the same crystallites but their different planar orientations, so, both the averages will give the same result. Thanks
I have a question. Does the peak heights represent the relative amount of those size crystallites? If so, then shouldn't taking a _weighted_ average yield a more accurate answer?
If all the weights are equal, then the weighted mean is the same as the arithmetic mean. The facts is, as different peaks represent the same crystallites but their different planar orientations, so, both the averages will give the same result. Thanks
XRD, being a technique, is very accurate and reliable. However, calculation of crystallite size depends on accurate measurement of internal parameters like fwhm etc. Thanks for the appreciation dear 😊
Hello! Thank you for your video. At the beginning you said that this method is valid for crystallites up to 200 nm. Could you please indicate the source where this is stated?
Thank you for watching my video and for your question regarding the validity of the method for calculating crystallite size using XRD data in Origin. The information about the method's validity for crystallites up to 200 nm comes from various references, for example, as mentioned below. www.nature.com/articles/nnano.2011.145 www.ncbi.nlm.nih.gov/pmc/articles/PMC6459976/ www.sciencedirect.com/topics/chemistry/scherrer-equation prism.mit.edu/XRAY/oldsite/CrystalSizeAnalysis.pdf
This video is perfect, so in amorphous material we can't clculate the crystalline size , because it has not grain and boundary grain, is it right or no, Thank you so much
Thanks for the appreciation. Yes, in amorphous, we don't have long range order, so crystallite or grain size calculations are not possible. You're welcome Wafa....
Thanks for the video. In my case, it is showing "Fit did not converge. Maximum iteration setting of 400 was reached" COD9R^2 =n 0.38 only. what could be the reason?
Thanks for the appreciation dear. It seems that you have fitting issues with your peak(s). I'll suggest you to watch the videos in the playlist to best fit your peaks. Thanks th-cam.com/play/PLeWSImvDbplc5W0ru6UNKcq6tEJsYxPmY.html
Thank you for this video! I have a question - is it possible that if the grains become smaller, the crystallites grow? In my studies, during the processing of aluminium sheets, the grains are much smaller after the process, but the crystallites are larger. Is it possible?
Grain is either a single crystalline or polycrystalline material, and is present either in bulk or thin film form. During the processing, smaller crystallites come closer and grow to become larger due to kinetics. Therefore, in the most likely scenario, the grain is larger than a crystallite. Thanks
Hi, is the excel calculation u show based on the the peak in earlier video? They were 5 peaks there but ur excel is showing 6 values. Another question is, can we just select the 3 or 4 intense peak for calculation? Thanks
Dear Anisah, This excel file is for the calculations in this video only. You can select peaks of your choice. There's no restriction on the number. Sometimes, some peaks cause a problem in fitting etc., they may be ignored. Thanks
Thank you for your good explanation! Well, I have a question on my research topic: can we calculate the diameter of nanowires (NWs) or thickness of nanoplates(NPls) directly on the Scherrer equation? How can we define K and can the result after calculation represents the real thick/ diameter of NWs/NPls? Looking forward to your reply!
Thanks for the appreciation dear. Yes, but change in symmetry is reflected in the graph shape. These calculations are for simple symmetry. While, when there will be another symmetry, calculations will slightly modify. Thanks
One radian = 180/ PI degrees and one degree = PI /180 radians. Therefore to convert a certain number of degrees in to radians, multiply the number of degrees by PI /180 (for example, 90º = 90 × PI /180 radians = PI /2). Thanks
Sir, our Xc value is 30.21472 and FWHM is 0.93755 And divided xc/2 than cos is 15.107 and Cos(15.107) = -0.82 What should do now?? It's giving a negative value
If my particle in range of 100 micro can I use it to calculate the crystal size? Also if I have 2 or 3 compounds in one material can I calculate the size for all together?
Thanks for the appreciation dear. There's an upper limit to the Scherrer's equation only. I'm sorry, I don't have any ready reference where calculations have been made for 0.5 nm or less. If I came across one, I'll let you know. Thanks
To find the limit of detection (LOD) and limit of quantification (LOQ) in OriginLab, you can follow these steps: Prepare your data: Ensure that you have experimental data with a series of known concentrations of your analyte or target compound. Create a calibration curve: Plot the signal response (e.g., peak area, intensity, absorbance) against the corresponding concentrations of your standards. You can use regression analysis to fit a curve to your data points. OriginLab provides various regression models such as linear, polynomial, exponential, etc., which you can choose based on your data. Determine the LOD: The LOD is typically defined as the concentration at which the signal-to-noise ratio (S/N) is above a certain threshold (commonly 3:1 or 2:1). To calculate the LOD, you need to estimate the noise level of your data. You can select a region of the baseline or noise in your data and determine its standard deviation (SD) or root mean square (RMS) value. a. Select a region of the baseline or noise in your calibration curve. b. Calculate the SD or RMS value of the selected region. c. Determine the LOD using the formula: LOD = (SD or RMS of noise) × (S/N threshold). Determine the LOQ: The LOQ is typically defined as the concentration at which the S/N is higher than a certain threshold (commonly 10:1 or 3:1). To calculate the LOQ, you can follow similar steps as for LOD: a. Select a region of the baseline or noise in your calibration curve. b. Calculate the SD or RMS value of the selected region. c. Determine the LOQ using the formula: LOQ = (SD or RMS of noise) × (S/N threshold). OriginLab provides various analysis tools to calculate the regression parameters, determine the noise level, and perform the calculations mentioned above. You can refer to the OriginLab documentation or help resources specific to your version of the software for detailed instructions on using these tools and functions. Thanks
thank you sir for this video.. but I have one objection. you wrongly explained the grain. Grain size can not be calculated through XRD. Grain size is the pattern size that we can observe through TEM or SEM. we assume that pattern as Grain. and then we compare this grain size with crystallite size. And consider this pattern approximately equal to crystallite size. Conclusion: crystallite size calculates through XRD and grain size calculates through TEM OR SEM study.
Thanks for your input dear. I haven't calculated grain size but the crystallite size. I have explained the difference between crystallite and grain size clearly. I'll appreciate to watch the tutorial carefully and thoroughly instead of jumping to a wrong conclusion. Thanks
Thanks sir, too!! but, I also wonder how to calculate the radian(0.23779). In other words, how could it conversion from radian(0.23779) to 0.004150218 value.
In the description of the video you can find the Excel file. For a hexagonal structure, you may find structural equations in the literature. Thanks for the appreciation dear.
In the Scherrer equation, the angle is to be in degrees. The value we get form OriginPro is in radians. As we know that Excel by default calculates angle in radians so we apply radian again to eventually get the value in degrees. Thanks
Please Sir after fitting and saying okay. My origin only gives the other values but no FWHM, instead it gives R-Square (COD) and Adj. R-Square. Please how can I get the FWHM
Thanks sir explained in nutshell...
Thanks dear
As a beginner in research field ur videos are very helpful for me, thank u for all your videos 😊
Thanks for the appreciation dear. You may share them with others 🙂. Thanks
Thank you so much sir. You are a social worker. Thanks for your contribution to our nation.
Thanks for the appreciation dear
For the past 5 months, i have been trying to figure out how to analyse my results on characterization of nanoparticles but indeed am so excited with this video. God bless you sir.
I'm happy for you 😊. Thanks for the appreciation dear
Straightway explanation and very good explanation thank you
Glad to know you liked it. Thanks
thank you so much. You're helping me more than my supervisor.
Thanks for the appreciation dear ☺️
Precisely explained, thank you so much. Wishing the best for you, sir! :)
Thanks for the appreciation dear
thank you Sir for the clear, simple, nice explanation of this important topic.
Thanks for the appreciation dear 😊
Finally i am on right video to determine size from xrd
Thanks for the appreciation dear 😊. Share it please with others too.
Thank you sir for the excel. God bless you
You're welcome dear. Aameen
Mashallah, what a great explanation. Thank you sirr
Thanks for the appreciation dear 😊
excellent really appreciate you i use it and learn one main point todayyy woww
Thanks for the appreciation dear 😊
Thank you so much, sir.
I have two question about crystallite size.
1. Why scherrer equation is valid for crystallite size up to 200 nm??
2. If crystallite size larger than 200 nm, how to calculate crystallite size??
Thank you for watching the tutorial! Great questions.
1. The Scherrer equation is often considered valid up to 200 nm because it assumes a uniform distribution of crystallites and does not account for factors like strain or defects. Beyond 200 nm, other factors start to become significant, potentially affecting the accuracy of the Scherrer equation.
2. For crystallite sizes larger than 200 nm, alternative methods such as electron microscopy or small-angle X-ray scattering (SAXS) can be more appropriate. These techniques offer higher resolution and can provide more accurate measurements for larger crystallites. Feel free to explore these options based on the size range you're working with.
Great explanation sir
Thanks dear
Realy the explanation is very helpful , thank so much
Thanks for the appreciation dear 😊
Interesting, thank you Sir for the nice explanation of this important topic.
Glad you liked it
Super clearly presented
Thanks for the appreciation dear 😊
Thanks Dr Sb.Well Explained
You're welcome dear
Thanks for information and files
You're welcome dear
BY FAR THE BEST VIDEO
Thanks 😊
Thank You so much MAy ALLAH bless u Ameen
Thanks for the appreciation dear 😊
Aameen
Thank you. It is well explained
You're welcome dear
Very useful in my ph. D sir. Put up the video vickers microhardness testing. How I calculated meyers index n value.
There's a formula for the Vicker's hardness in which you use the diagonal lengths of the microindentation. I'll try to include it in the tutorial series. Thanks
Great ; This topic is not my major But I loved it and watched it, man !!! Keep it up !!
I’m glad and honoured to know. Thanks Brhane
amazing sir jazakALLAH,,keep it sir and thnx
Thanks for the appreciation dear
감사합니다. 당신이 내 구세주입니다.
감사합니다.
Very nice presentation sir
Thanks for the appreciation dear 😊
Thank you for your lecture..
Thanks for the appreciation dear 😊
awesome sir well explainned
Thanks dear 🙂
Thanks for the Video. Can you explain me why are you ignoring the broadening of the instrument ?
Thanks for watching the tutorial! In that specific video, I focused on crystallite size calculation. If you're interested in instrument broadening, check out the complete series at [th-cam.com/video/0PUTB0IhlWw/w-d-xo.html&pp=iAQB]. It covers various aspects of XRD data analysis.
Amazing, your video helps me a lot.
Glad it helped! Thanks 👍
many many thanks sir very intersting
Thanks dear
thank you soooo much
You're welcome dear
Thank you sir its too helpFul
Most welcome
Thanks alot sir
You're welcome dear
Please sir we see that from TEM mean particle size have low magnitude compared with the value of crystal size … so does particles size smaller than crystal size or inverse please shown me this problem
The smaller mean particle size from TEM compared to crystal size could be due to differences in measurement techniques, where TEM measures actual particle size, and XRD measures crystallite size. Factors like particle aggregation, polycrystallinity, surface effects, and differences in sample preparation or calibration can also contribute to this discrepancy. If you have more details on the measurements, I can offer more specific insights. Thanks
I used a pulsed laser in 5 ml of distilled water and deposited the colloidal solution on small pieces of silicon for the purpose of performing an XRD test. I performed a TEM of the solution and the results were as I indicated. There is a difference between the TEM and XRD values with respect to the crystal size and particle size, noting that the targets were silver and gold. @@SAYPhysics
Great work Sir
#LearnMathwithZain
Thanks dear
Thank you very much!
You're welcome dear
Thanks! You're the best!
Thanks for the appreciation 🙂 dear
Thank you sir for clarifications on grain vs particle. I wat to know why we took Beta is in radians and cos theta in degrees?
Thanks for the appreciation dear. Theta is the goniometer angle, plotted as 2theta on the x-axis, which is in degrees as we move it around the sample. While beta is the measure of fwhm, which by its equation in radians. These are as per literature, whose references are provided in the video description. Thanks
Many Thanks sir
You're welcome dear
Wow that was a great explanation!
Thanks for the appreciation dear 😊
i have origin 2022 pro and when i click on ok i do not see this complete data sheet as you got in the video instead i am getting that small grey box only
I can't say anything blindly. You may send the screen recorded video at sayphysics@gmail.com. I'll respond to that. Thanks
Very helpful video
Glad it was helpful!
😮😮 it's an amazing video
Thanks for the appreciation dear 😊
@SAYPhysics why do you use 𝜽 Bragg’s angle in degrees? 𝜽 Bragg’s angle in Scherrer formule should be in radians as beta?
You're right for β to be in radian, while 𝜽 is to be in degrees. I've confirmed it through literature as well as the modern software (like Highscore etc.) are using the same to calculate the crystallite size. Thanks
tq for explenation
You're most welcome
well explain but plz also tell me about that how you convert beta value which is in radian into another value
The value of beta is provided by origin in radian which I have converted into degrees as per requirements of the equation. Please check in the video description the Excel file in which I have done the calculations you can see in the file that when you take radian of a radian value then it is converted into degrees. Thanks
How do you assign error valuation for the average crystallite size ?
Assuming contribution from instrument and strain be ignored, what is the error contribution from FWHM ?
As you know, different peaks have been taken into account instead of the very intense peak only. The average crystallite size covers many contributing factors. Thanks
thanks a lot Sir
You're welcome dear
Sir, when we take cos theta...do we need to take half of 2 theta..but in the video, you directly take 2theta value to the following step.
Also , rad to degree conversion is incorrect ..need to multiply with pi and divide with 180
In the vIdeo description, I have attached an Excel file, where all calculations are being done. Thanks
Here, Origin gives the value in radian and in the Scherrer equation we need it in degrees,, so in Excel template, which is available in the video description , we convert it into degrees. Whatever calculations you are saying, Excel is doing it itself. Use the provided template for calculations, please. Thanks
I was searching for schrerrers const value for mgcr2O4 and sae your comment on research gate .
Right. Has your search satiated? Thanks
@@SAYPhysics 95%
As per me, you are considering the doublet as a single reflection and collecting the FWHM (for example at video time 6:20 min). Is this the correct way to estimate the crystallite size, I don't think so you are getting accurate crystallite sizes.
You are right. In general, it is not recommended to consider a doublet as a single reflection for calculating the crystallite size from XRD data, as this can lead to inaccuracies in the results. This is because a doublet typically indicates the presence of multiple crystallographic domains or twinning, and treating it as a single reflection can result in an overestimation of the crystallite size. However, it is always better to consider all the peaks and then finally take the average of all the calculated crystallite sizes, as explained at 07:50 of the video. As a cross-check, we can compare the calculations from a single reflection and then of the average to confirm these calculations in the video. Thanks for your input.
@@SAYPhysics taking average can help you when consider particular hkl planes , per example 00l. Every reflection indicates/arising from particular hkl plane. Insuch case you can not consider doublet as a singlet. If you want to get quatitateve size then you have to use siglet only. I can not agree singlet can giver over estimation of size. And one more thing origin program not use for quantitative data it's just for rough idea.
For more basics kindly read any crystallography text.
Right. Thanks for your input.
sir please share the video how to calculate the intrumental broadning of XRD?
Here are the videos
th-cam.com/video/tO_frVLxmsg/w-d-xo.html
th-cam.com/video/238yM0OgaH8/w-d-xo.html
Great video sir
Thanks
Excellent video and excellent explanation..one question though ..why didnt u take xray wavelength in nm in sherrer equation ..ur answer was in nm but xray wavelength was in angstrom
Thanks for the appreciation dear. Answer will remain the same. If you convert it first from angstrom to nm or later. From the machine specs, we get it in angstrom. Thanks
Thanku sir.. but I have a question that how crystallite size affect the properties of a material and which one is better, a small crystallite size or large? Thank you
I don't know which properties you're interested in. Let me say few things generally. The smaller the crystallite size, the more efficient the sintering (lower possible sintering temperature). However, the drying and firing shrinkage will be very high. The hardness of a material increases as the crystallite size decreases. Thanks
salam alaykom, I don't get the two tables in left of page, how can get them to read FWHM please ?
In the data worksheet, there comes two extra sheets after fitting, click the first to see the tables. Thanks
@@SAYPhysics Thank you brother
@aymenfarhi1425 you're welcome dear
@SAYPhysics Sir very helpfull video. Thanks very much.... I have a short question.... Sir in your Excle formula you devided the whole formula 10 that is not existed in equation? can u elaborate for me plz
Thanks for the appreciation dear. Division by 10 is just the conversion to nm. Thanks
Thanks....your highness
Thanks dear
This video helps me a lot, really appreciate it. Thanks very much 🙂
Thanks for the appreciation dear
If I have a composite material, the x-ray wavelength will be the sum of the components at that material??
The incident wavelength of X-ray is of the machine, independent of the nature of a material being characterized. Thanks
Genius
Thanks 👍
What would be K for tetragonal particle??
k is a dimensionless shape factor (typically around 0.9). The value of k in the Scherrer equation is not dependent on the type of Bravais lattice. It is a constant that depends on the shape of the crystalline domains and the instrument used. In practice, k is often determined experimentally by measuring the size of well-characterized standard samples with known crystallite sizes. Thanks
Thanks for the explanation, but I wonder why Cos(theta) is in degrees and not radians are used
As per formula, beta should be in rad and cos must be degrees to make the equation dimensionally correct. Thanks
Nice explanation! Shouldn't we consider the weighted arithmetic average? As the peaks have different intensities, they contribute differently in the average.
Somehow you're right Oliveira. Let me elaborate what do you mean actually. The weighted arithmetic mean is similar to an ordinary arithmetic mean (the most common type of average), except that instead of each of the data points contributing equally to the final average, some data points contribute more than others.
Now, if all the weights are equal, then the weighted mean is the same as the arithmetic mean. The facts is, as different peaks represent the same crystallites but their different planar orientations, so, both the averages will give the same result. Thanks
Sir if lambda is in angstrom the crystallite size is also in angstrom isnt it?
It doesn't matter if we use Angstrom or nanometer, provided the dimensions are accurate. Thanks 😊
@@SAYPhysics thank you sir
You're welcome dear
How to select the particular peak?
At time stamp 05:55 in this video, I have explained how to select a given peak. Thanks
sir please also share link how calculate the texture coefficient via XRD??
Good suggestion. Noted with thanks 👍
@@SAYPhysics yes sir..thanks...sir please work on it and share yours efforts ....
Sure. Thanks
I have a question. Does the peak heights represent the relative amount of those size crystallites? If so, then shouldn't taking a _weighted_ average yield a more accurate answer?
If all the weights are equal, then the weighted mean is the same as the arithmetic mean. The facts is, as different peaks represent the same crystallites but their different planar orientations, so, both the averages will give the same result. Thanks
Very nice
Thanks 👍
Thank you sir,I have a questions,What is the accuracy of XRD measurment? How to determine the reliable accuracy of the crystallite size.
XRD, being a technique, is very accurate and reliable. However, calculation of crystallite size depends on accurate measurement of internal parameters like fwhm etc. Thanks for the appreciation dear 😊
Thank you very much,sir.
Hello! Thank you for your video. At the beginning you said that this method is valid for crystallites up to 200 nm. Could you please indicate the source where this is stated?
Thanks for the appreciation dear 😊
In the video description, you will find some relevant references.
@@SAYPhysics Thank you for the reply! Do you know of any book or article that states this?
Thank you for watching my video and for your question regarding the validity of the method for calculating crystallite size using XRD data in Origin.
The information about the method's validity for crystallites up to 200 nm comes from various references, for example, as mentioned below.
www.nature.com/articles/nnano.2011.145
www.ncbi.nlm.nih.gov/pmc/articles/PMC6459976/
www.sciencedirect.com/topics/chemistry/scherrer-equation
prism.mit.edu/XRAY/oldsite/CrystalSizeAnalysis.pdf
This video is perfect, so in amorphous material we can't clculate the crystalline size , because it has not grain and boundary grain, is it right or no,
Thank you so much
Thanks for the appreciation. Yes, in amorphous, we don't have long range order, so crystallite or grain size calculations are not possible. You're welcome Wafa....
Thanks for the video. In my case, it is showing "Fit did not converge. Maximum iteration setting of 400 was reached" COD9R^2 =n 0.38 only. what could be the reason?
Thanks for the appreciation dear. It seems that you have fitting issues with your peak(s). I'll suggest you to watch the videos in the playlist to best fit your peaks. Thanks
th-cam.com/play/PLeWSImvDbplc5W0ru6UNKcq6tEJsYxPmY.html
how to interpereted clay mineral too ?
Clay mineral XRD is a separate field. You may watch my video tutorial on XRD via the following link. Thanks
th-cam.com/video/r1EKRfV4ZRg/w-d-xo.html
Thank you for this video! I have a question - is it possible that if the grains become smaller, the crystallites grow? In my studies, during the processing of aluminium sheets, the grains are much smaller after the process, but the crystallites are larger. Is it possible?
Grain is either a single crystalline or polycrystalline material, and is present either in bulk or thin film form. During the processing, smaller crystallites come closer and grow to become larger due to kinetics. Therefore, in the most likely scenario, the grain is larger than a crystallite. Thanks
Hi, is the excel calculation u show based on the the peak in earlier video? They were 5 peaks there but ur excel is showing 6 values. Another question is, can we just select the 3 or 4 intense peak for calculation? Thanks
Dear Anisah, This excel file is for the calculations in this video only. You can select peaks of your choice. There's no restriction on the number. Sometimes, some peaks cause a problem in fitting etc., they may be ignored. Thanks
Sir kindly provide the link for suggested article
This is the DOI of the article. If you can't download it, let me know at
sayphysics@gmail.com. Thanks dx
.doi.org/10.1107/s0021889878012844
Thank you for your good explanation! Well, I have a question on my research topic: can we calculate the diameter of nanowires (NWs) or thickness of nanoplates(NPls) directly on the Scherrer equation? How can we define K and can the result after calculation represents the real thick/ diameter of NWs/NPls? Looking forward to your reply!
Thanks for the appreciation dear. Yes, but change in symmetry is reflected in the graph shape. These calculations are for simple symmetry. While, when there will be another symmetry, calculations will slightly modify. Thanks
Thank you sir...👏
You're welcome dear
Awesome video. Where can I download winXpow software?
Thanks for the appreciation dear. You'll have to purchase it or some universities provide it.
@@SAYPhysics Thank you for the information.
How do you convert the FWHM value to radian on the calculator?
One radian = 180/ PI degrees and one degree = PI /180 radians. Therefore to convert a certain number of degrees in to radians, multiply the number of degrees by PI /180 (for example, 90º = 90 × PI /180 radians = PI /2). Thanks
Sir, our Xc value is 30.21472
and FWHM is 0.93755
And divided xc/2 than cos is 15.107 and Cos(15.107) = -0.82
What should do now?? It's giving a negative value
Please use the Excel template which is provided in the video description. It will do all the calculations for you. Thanks
If my particle in range of 100 micro can I use it to calculate the crystal size? Also if I have 2 or 3 compounds in one material can I calculate the size for all together?
I have explained that crystallite, grain and particle size are different things. Yes, you can calculate the crystallite size. Thanks
Thank you so much. I would like to know how to claculate size around 0.5 nm, Do you have a paper with that information? Thank for that
Thanks for the appreciation dear. There's an upper limit to the Scherrer's equation only. I'm sorry, I don't have any ready reference where calculations have been made for 0.5 nm or less. If I came across one, I'll let you know. Thanks
Sir how we find limit of detection and limit of quantification in orign....
To find the limit of detection (LOD) and limit of quantification (LOQ) in OriginLab, you can follow these steps:
Prepare your data: Ensure that you have experimental data with a series of known concentrations of your analyte or target compound.
Create a calibration curve: Plot the signal response (e.g., peak area, intensity, absorbance) against the corresponding concentrations of your standards. You can use regression analysis to fit a curve to your data points. OriginLab provides various regression models such as linear, polynomial, exponential, etc., which you can choose based on your data.
Determine the LOD: The LOD is typically defined as the concentration at which the signal-to-noise ratio (S/N) is above a certain threshold (commonly 3:1 or 2:1). To calculate the LOD, you need to estimate the noise level of your data. You can select a region of the baseline or noise in your data and determine its standard deviation (SD) or root mean square (RMS) value.
a. Select a region of the baseline or noise in your calibration curve.
b. Calculate the SD or RMS value of the selected region.
c. Determine the LOD using the formula: LOD = (SD or RMS of noise) × (S/N threshold).
Determine the LOQ: The LOQ is typically defined as the concentration at which the S/N is higher than a certain threshold (commonly 10:1 or 3:1). To calculate the LOQ, you can follow similar steps as for LOD:
a. Select a region of the baseline or noise in your calibration curve.
b. Calculate the SD or RMS value of the selected region.
c. Determine the LOQ using the formula: LOQ = (SD or RMS of noise) × (S/N threshold).
OriginLab provides various analysis tools to calculate the regression parameters, determine the noise level, and perform the calculations mentioned above. You can refer to the OriginLab documentation or help resources specific to your version of the software for detailed instructions on using these tools and functions. Thanks
Sir how we find slope ,R² value , standard deviation in orign.....
The following tutorial is explaining about your queries. There are even more in the playlist. Thanks
th-cam.com/video/QESi2dDRnrw/w-d-xo.html
Good explanation. I am just worried about the Angstrongs ie 1.5406 when the final answer is in nm. Why didn't you use 0.15406 nm wavelength instead?
Thanks for the appreciation. You're right. We have the value from machine specs in the Angstroms, but you can convert as per your ease.
@@SAYPhysics Thanks man. Keep up the good work.
Sure. Thanks
thank you sir for this video.. but I have one objection.
you wrongly explained the grain.
Grain size can not be calculated through XRD.
Grain size is the pattern size that we can observe through TEM or SEM. we assume that pattern as Grain. and then we compare this grain size with crystallite size. And consider this pattern approximately equal to crystallite size. Conclusion: crystallite size calculates through XRD and grain size calculates through TEM OR SEM study.
Thanks for your input dear. I haven't calculated grain size but the crystallite size. I have explained the difference between crystallite and grain size clearly. I'll appreciate to watch the tutorial carefully and thoroughly instead of jumping to a wrong conclusion. Thanks
Hello Sir, I sow other videos they radians not degree for bragg position , wich one is correct
The one that I did is correct as I confirmed it from an extensive literature. Thanks
8:27 the first peak is quite an outlier it seems, should it be removed from average or is it common.
In my case, it is not an outlier. However, sample to sample it may not be the case. Thanks
Thanks sir, too!! but, I also wonder how to calculate the radian(0.23779). In other words, how could it conversion from radian(0.23779) to 0.004150218 value.
Excel calculate the value in radian by default. So if we take its double radian, we'll get our required value in degrees. Thanks
Good explaination. where can i get similar sort of excel sheet for hexagonal system?
In the description of the video you can find the Excel file. For a hexagonal structure, you may find structural equations in the literature. Thanks for the appreciation dear.
WHY THR FWHM VALUE IS NOT SHOWING, OTHER VALUES LIKE Y X W ARE SHOWING BUT NOT FWHM, I FOLLOWED SIMILIAR PROCEDURE.
After fitting, it generates the table and an extra sheet to the data in which you have all the parameters including FWHM. Thanks
Jzakillah
Aameen. Thanks
gracias!
Thanks dear
Sir how do you get radian value
The Excel template is provided in the video description where all calculations are clearly mentioned. Thanks
Thanks for this explanation sir. I have a question please: for metals, is Crystallite size = Grain size (the same thing)?
For a single crystal, they're the same only. Thanks
@@SAYPhysics an other question please, when the crystallite size increase ,the grain size also increase? And vice versa, that it's true or not?
Principally, yes. Thanks
@@SAYPhysics thanks sir
sir can you define what is microstrain in simple words?
Here, I have explained microstrain in details. Thanks th-cam.com/video/oUwJpGtwOVk/w-d-xo.html
Sir how u converted radian(0.23779) please help
In the Scherrer equation, the angle is to be in degrees. The value we get form OriginPro is in radians. As we know that Excel by default calculates angle in radians so we apply radian again to eventually get the value in degrees. Thanks
@@SAYPhysics thanks for the explanation
@manashjyotidas3748 you're welcome dear
Please Sir after fitting and saying okay. My origin only gives the other values but no FWHM, instead it gives R-Square (COD) and Adj. R-Square. Please how can I get the FWHM
Okay Sir..I got it now thanks
Great. Thanks
Thanks