3Y-TZP = 3 mol% yttria stabilized tetragonal zirconia polycrystals
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Suggest one of them 1. Teflon-lined stainless steel autoclave: 2. Alumina (Al2O3) ceramic container
30 July 2024 7,326 1 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
I'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...
18 July 2024 1,794 2 View
Fisher studied if there is an out-of-equilibrium process that rapidly converges to some equilibrium points. He claims that Hahn process has a Lyapounof function and therefore convergent to an...
15 July 2024 1,460 4 View
We're studying the stability and fusion behavior of multiple PVC compounds in a Brabender. After a few trials, we set the temperature at 195 °C and the rotor speed at 70 rpm. Samples differ in...
12 July 2024 2,768 1 View
Hi All: I need to precipitate extracellular protein from supernatant. A bit confused with ammonium sulfate calculation. Should I be adding: 1. 65g of ammonium sulfate in 100 ml of...
09 July 2024 5,508 0 View
I synthesize silver nanoparticles ，and reserve it in water. Then, when I sonicate it some minutes or longer ,it couldn't be dispersed, most of them aggregate .Otherwise ,when I sonicate several...
09 July 2024 7,335 0 View
Hello dear colleagues and professors Please what is the recommended type of pseudopotentials for QE? ultrasoft or norm conserving?? And from where get all types of pseudos (us, nc, pbe,...
09 July 2024 9,541 5 View
