I have been searching long for a good tutorial on this subject. You have done such a good job here. The tempo and presentation of your videos facilitate a clarity in learning. Well done sir.
Your videos are amazing. Can we have four axes in VESTA to represent the HCP structures. I see the convention now to use 4 indices and in vesta they use the three indices convention. I keep converting now between the two conventions but is there a simpler way?
Hi Taylor, thank you for this insightful tut. Is it possible to save the coordinates and orientation of both phases to the same file? I would like to do a similar thing to two crystals and use the coordinates for simulating TEM images.
@@TaylorSparks Thank you so much for the video. Can you please tell me how to create a unit cell for the new structure to proceed with the simulations?
@@ashitajose1162 I don't do first principles calculations myself, so I would probably not be able to help you. However, in terms of selecting a unit cell, it seems like you could simply identify the smallest region which allows for translation of both crystal phases
Greetings and courtesy and respect Good time engineer Please advise how to use Python or MATLAB programming language to analyze melting materials in steelmaking and casting or heat treatment or open mold press.
Hi, Mr. Taylor Sparks, Thanks for your detailed teaching! Recently, I read a paper "doi.org/10.1016/j.actamat.2019.11.068". In this paper, the author mentioned they used VESTA to construct interfacial atomic configuration. But I'm not sure which figure is generated by vesta. Could you help me to look into it and tell me if the Fig. 11 (e) is from VESTA, please? Also, does Materials Studio have the same function?
@@TaylorSparks when I saved it as xyz file all the phases merged but the problem is that the simulation box is destroyed. How do I create a simulation box if I load a file with only xyz coordinates such that the atom position do not change
I have been searching long for a good tutorial on this subject. You have done such a good job here. The tempo and presentation of your videos facilitate a clarity in learning. Well done sir.
Thanks! I create loads of mse content on my channel. Check it and and help me grow :)
I have called all my roommates and friends to watch your vedioes. Excelent explainations!!!
Awesome! Thanks for sharing ;) hit that subscribe button too ;)
@@TaylorSparks It`s my great honor. ;) I really hope youtube can send emoji_
That was SO helpful! Thank you a lot! Saved my advances in materials chemistry!
I'm so glad to help. Please like subscribe and share help me grow this channel.
Thanks for this information. Can you please help me to create different stacking AA, AB, AC of materials such as MoS2/WSe2 heterostructure.
Your videos are amazing. Can we have four axes in VESTA to represent the HCP structures. I see the convention now to use 4 indices and in vesta they use the three indices convention. I keep converting now between the two conventions but is there a simpler way?
Explained very well.... thanku so much.. Can we use this process for any multiphase system
it will work for some but not others. For example, if you are multi-phase system includes amorphous faces than you cannot plot these.
@@TaylorSparks I'm working on a 2 phase system... Both are crystalline
Thanks a lot. Very useful. Do you mind explain how to rotate the top layer with respect to the bottom layer?
Hi Taylor, thank you for this insightful tut. Is it possible to save the coordinates and orientation of both phases to the same file? I would like to do a similar thing to two crystals and use the coordinates for simulating TEM images.
I’m subscribed! Now I have to figure out how to create a new overall unit cell for the new structure.
Do you have all the data? Inputting a new structure is straight forward.
@@TaylorSparks Thank you so much for the video. Can you please tell me how to create a unit cell for the new structure to proceed with the simulations?
@@ashitajose1162 I don't do first principles calculations myself, so I would probably not be able to help you. However, in terms of selecting a unit cell, it seems like you could simply identify the smallest region which allows for translation of both crystal phases
Great video! Is there any way to create bonds between 2 different phases?
This is so nice! Thank you very much
Thanks man... Thank you so much.. i just cant verbally express how grateful i am
My pleasure!
thank you for this wonderful tutorial. How can I safe all phases and atomic position in one cif file? Everything that I plotted
A cif is just the symmetry and basis for a single phase. If you want to preserve bonds etc save as a .Vesta file
Thanks a lot. I already solved this problem by saving it in xyz coordinates
Thank you omg thank you
How can I make a heterostructure where two consecutive layers are connected to each other by bonds?
Greetings and courtesy and respect
Good time engineer
Please advise how to use Python or MATLAB programming language to analyze melting materials in steelmaking and casting or heat treatment or open mold press.
@@AliakbarKhosravi-th3mv these would be great subjects for a future video. I will look into this
Thanks a lot!
Glad to help!
How can I make simulation with this structure if there is no unit cell.
Sorry, I don't do simulations.
it's helpful, thanks a lot
glad to help! Let me know if you have other vesta challenges
thanks a lot
Hi, Mr. Taylor Sparks, Thanks for your detailed teaching! Recently, I read a paper "doi.org/10.1016/j.actamat.2019.11.068". In this paper, the author mentioned they used VESTA to construct interfacial atomic configuration. But I'm not sure which figure is generated by vesta. Could you help me to look into it and tell me if the Fig. 11 (e) is from VESTA, please? Also, does Materials Studio have the same function?
How do I merge both phases? As a single cif file ...
I don't know if it's possible. You have two different symmetries etc so one cif card can't show both?
@@TaylorSparks when I saved it as xyz file all the phases merged but the problem is that the simulation box is destroyed. How do I create a simulation box if I load a file with only xyz coordinates such that the atom position do not change
@@monsterra4841 I'm not sure, I don't typically do simulations so I never export the XYZ
Its helpful. could you please draw pyrochlore structure Neodymium Iridium Oxide Nd2Ir2O7 ?
谢谢。视频非常有用。thanks，this video is very helpful.
Mei wenti! ;) Hen gaoxing bang ni. (Sorry, I don't have characters turned on with this phone keyboard)