We want to simulate the effects of defect atoms on the structural, electrical and optical properties in the SiO2 by using WIEN2K.
Please guide me to add the defect atoms in SiO2. Defects density is in the order of 106:1 (SiO2: Defect)
You need to build a supercell with 1 mio invividual atoms, remove one of them and relax this system.
I think that you should try to investigate the effect on smaller supercell
The most popular is based on the supercell idea. The sizes of the supercell nowadays are hundreds of atoms.
Please guide me to calculate the reflectance for multilayer Anti-reflection coating in solar cell. Which method is best for the above calculation.
11 December 2018 2,857 12 View
Dear All, I want to simulate the passivation effects of interface passivation layer(Al2O3 on p-Si). How I can include this effect in the solar cell simulation using TCAD ATLAS Silvaco. Thanks...
09 October 2018 6,645 2 View
01 February 2017 7,617 1 View
Please provide me specific guideline for this problem.
05 June 2016 4,950 0 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...
02 March 2021 3,309 2 View
Hi Community, I'm facing the issue of integration/compiling a new routing protocol in a WSN simulator. The final goal is to successfully add, configure this routing protocol in hardware devices...
01 March 2021 9,332 6 View
Hello researchers, Hello Castalia3.2 researchers I am a beginner with Castalia, I work on optimization of RFID systems used in wireless body networks. I simulated a WBAN with 10 nodes and one...
28 February 2021 400 1 View
25 February 2021 5,713 1 View
Hi Hope you are well. Can you please share your code for D2D implementation in Matlab. I want to implement D2D in Matlab based Vienna simulator and struggling to deploy D2D. Thanks
24 February 2021 9,378 3 View
I understand there are a lot of software programs that can simulate DED by going through specific modeling, simulation, and commands. For me, that was time consuming and results were not accurate....
24 February 2021 4,428 3 View
I tried coating Fe3O4@ SiO2 by using APTES in 5% water-ethanol but it is not coated. Kindly suggest a solution for it. Thanks
24 February 2021 5,992 4 View
Using GDB, it is straightforward to debug and monitor a target program by setting a break-point at a specific instruction, since the instruction addresses are known. However, we have two...
24 February 2021 1,598 2 View
Hi, We are trying to simulate particles with Langevin dynamics in a shear flow by Lees-Edwards boundary conditions in MD simulations. It seems thermal forces and shear flow do not go hand in...
23 February 2021 1,761 1 View