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Messages - bahmanpbamp

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1
Support Forum / Re: Tio2 mechanical analysis
« on: July 04, 2019, 02:27:41 PM »
Dear Constanze,

Thank you very much for your clarification. At least I can use shear strain  and coordination number analysis for analysis of the structure.

Yours,
Bahman

2
Support Forum / Re: Tio2 mechanical analysis
« on: July 03, 2019, 09:24:23 AM »
Dear Alex,
Thank you very much for your response. You mean I cannot EVEN use CNA for this case? Actually, I am observing something defects in the structure that cannot be observed by CNA and I was confused!

Your Sincerely,
Baham

3
Support Forum / Tio2 mechanical analysis
« on: July 01, 2019, 06:28:32 PM »
Dear OVITO experts,

I am studying deformation in tio2 nanopartiles(anatase). I am using the "atomic strain fields" and "coordination number" for typical analyzing the deformation mechanism. I am also looking for a method which could show dislocations and or stacking fault as well. However, it seems that DXA is not available for thetragonal materials ! Did I right understood? So any comment is highly appreciated.


Yours Sincerely,
Baham

4
Support Forum / how to output number of vacancies for all simulation
« on: June 14, 2019, 03:44:54 PM »
Dear OVITO experts,

How can I output number of vacancies for each step during simulation? it seems that a pytone script is required.am i correct?

Yours,
Bahman

5
Support Forum / Re: Affine mapping of the simulation cell
« on: June 12, 2019, 01:08:16 PM »
Dear Constanze,
Thank you very much for  your constructive response.
Best regards,
Bahman

6
Support Forum / Affine mapping of the simulation cell
« on: June 11, 2019, 01:38:57 PM »
Dear Experts,

I am going to perform the Wigner-Seit defect analysis for a particle colliding to a substrate in Z direction as per the attached model. However, as a homogeneous deformation occurs in Z direction of the box during collision , I think I should apply the "Affine mapping of the simulation cell".   So, my question is can I apply "Affine mapping of the simulation cell" without having period boundary condition in z direction?!

The boundary conditions in the model are periodic in X,Y directions and non-periodic in Z direction.

Best regards,
Bahman

7
Support Forum / Re: Regarding Wiegner Seit modifier
« on: June 09, 2019, 02:18:26 PM »
Dear Alex,

Thank you very much for your response. Actually it is amazing, the link that you sent to me is different from what I have seen! you can see this link

https://ovito.org/manual/particles.modifiers.wigner_seitz_analysis.html


By the way, now everything is clear! thanks a lot

Best regards,
Bahman

8
Support Forum / Regarding Wiegner Seit modifier
« on: June 07, 2019, 05:11:32 PM »
Dear OVITO expert(s),

In the Wigner-Seitz defect analysis explanation on OVITO website, it has been explained that in dynamic cases it is possible to eliminate the homogeneous cell deformation. But I cannot find clearly any relevant key in the modifier which apply this criteria to the modifier. I am using OVITO version 3.0.0 already.  Actually I did not clearly understand what "affine mapping of the simulation" kye in the modifier of version 3.0.0 is and I could not also find it in the documentation.

So any help is highly appreciated.


Best regards,
Bahman

9
Support Forum / homogeneous cell deformation IN OVITO 3.0.0
« on: February 01, 2019, 05:48:02 PM »
Dear Ovito experts,

I am using OVITO 3.0.0. Actually, I cannot find the  "eliminate homogeneous  cell deformation " key in this edition.

Yours Sincerely,
Bahman

10
Support Forum / Re: color coding
« on: January 31, 2019, 10:24:38 AM »
Dear Constanze,

Thank you very much for your support. it was very helpful actually.

Yours Sincerely,
Bahman

11
Support Forum / Re: color coding
« on: January 30, 2019, 05:38:18 PM »
Dear Constanze,

Thank you for your email. So, for exmaple if the min=0 and max=0.3 and we would like to only observe atomic property with value of 0.1 what should we do? Actually, I think that we should define min=0.1 and max=0.12(for example)! am I right?!

Yours Sincerely,
Bahman

12
Support Forum / color coding
« on: January 30, 2019, 09:51:52 AM »
Dear OVITO experts,

I have a question about color coding... when we define an "End Value" in color coding panel, it considered all atom with a parameter value "equal and higher" than the end value?!

Actually, when I take histogram analysis...correlation between histogram result and color coding result is confusing.

Yours Sincerely,
Bahma

13
Support Forum / strain analysis- liminate homogeneous deformation kye
« on: January 14, 2019, 04:42:04 PM »
Dear Experts,

I am really confused by atomic strain analysis modifier. I cannot understand whether should I activated" eliminate homogeneous deformation " key or not?!
why should we remove homogeneous deformation? I am modeling a particle impact in z direction to a substrate.

Sorry if the question is very stupid

Best wishes,
Bahman

 

14
Support Forum / Regarding analyzing crystal structures
« on: December 10, 2018, 05:34:54 PM »
Dear OVITO experts,

I am looking for a suitable technique for analyzing crystal structure of ceramic materials like Tio2 during deformation and fracture.

I have studies several existing techniques like  Centrosymmetric,  Bond-angle analysis,  Common-neighbor analysis,  Adaptive common-neighbor analysis, Voronoi analysis and Polyhedral template matching. According to  my studies,  it seems that PTM is the best choice with the highest accuracy for structure analysis. However, I cannot use this method too. Since, Tio2 lattice is Tetragonal and is not available between PTM template structures. I have this problem with other methods too actually!

So, any constructive comment in this regard is highly appreciated.


Yours faithfully,
Bahman




15
Support Forum / Re: Regarding Wigner-Seitz defect analysis
« on: December 05, 2018, 12:43:26 PM »
Dear Constanze,

Thank you very much for your email. So, I can use my 3d model instead!

Best regards,
Bahman

16
Support Forum / Regarding Wigner-Seitz defect analysis
« on: December 05, 2018, 11:25:39 AM »
Dear OVITO experts,

I am going to use Wigner-Seitz defect analysis modifier in 2D.  But I permanently facing with this error:

" Simulation cell is degenerate in the deformed configuration"

Actually, I have changed the  Dimensionality from default 3D to 2D but the problem sill exists. So, any helpful comment is highly appreciated.

Yours Faithfully,
Bahman

17
Support Forum / Re: dislocation analysis
« on: September 20, 2018, 11:41:44 AM »
Dear Alex,

Thank you for your response. yes, my 2D model is made from (111) plane of fcc structure.

Regards,
Bahman

18
Support Forum / dislocation analysis
« on: September 20, 2018, 10:26:56 AM »
Dear experts,

I am going to apply dislocation analysis for a 2D fcc model. However, OVITO tells that it does not support 2D. So, can I make a trick and change the z positions of all atoms from 0 to 1?

any comment is highly appreciated.

Yours Sincerely,
Bahman

19
Support Forum / Dislocation Analysis- tetragonal
« on: September 13, 2018, 04:08:40 PM »
Dear Ovitio experts,
 
I need to apply dislocation analysis on TiO2 rutile structure. Please let me know whether I can use Tetragonal or BCC initial structure with some modifications or not.

Yours Sincerely,
Bahman

20
Support Forum / total strain
« on: August 15, 2018, 04:59:18 PM »
Dear OVITO experts,

As you know OVITO can calculate strain/atom. My question is whether OVITIO can also calculate total strain of the system for example in X or Y direction?
I mean can it take average value over all the strain/atom data and reports a value?

Yours Sincerely,
Bahman

21
Support Forum / Re: stress analysis in OVITO
« on: July 20, 2018, 09:33:51 AM »
stimmt. danke dir!

22
Support Forum / stress analysis in OVITO
« on: July 18, 2018, 10:41:19 AM »
Dear experts,

Please let me know whether OVITO can also calculate stress per atom ? Actually,I personally do not think so! Since, we need to access to the forces!

Regards,
Baham

23
Thank you very much for your helpful comment!

24
Dear Alex,

Thank you very much for your email. Actually, I have a 2 dimensional 111 fcc plane. I am performing sever plastic deformation on this plane and I am looking to use a method to better show crystal modifications inside this plane.

Best regards,
Bahman

25
Dear experts,

I am looking for a method to analysis the structure of crystals in  2 dimensional . However, it seems that almost all of the atomic structure analysis modifiers are not active for 2 dimensional MD.

Yours,
Bahman


26
Thank you very much. It would be really helpful!

27
Dear OVITO experts,

As I now, in OVITO, we can only access to the Start and End Values of a property inside the "color coding" panel. Please let me know whether it is possible to have more values or not.

Yours Sincerely,
Bahman

28
Support Forum / Re: Regarding atomic strain modification
« on: June 06, 2018, 10:41:29 AM »
When I apply the larger model, it still calculates the strain tensors but it seems that the STRAIN TENSORS are not activated inside the Color coding/particle property.So, I cannot access to the strain tensors!

29
Support Forum / Re: Regarding atomic strain modification
« on: June 05, 2018, 05:22:21 PM »
thank  you very much for your email. yes it works. I was doing the same but did not going to the color coding to observe the results!
thank you Alex.

30
Support Forum / Re: Regarding atomic strain modification
« on: June 05, 2018, 04:35:39 PM »
Thank you very much for your response. Actually I am using OVITO rev.2.9.0 on WIN 7.0. Please find attached the dump file from history of model deformation.

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