Is there any key point for KPOINT setting for non orthorhombic supercell?

Hi all, I have a question about the KPOINT setting for non orthorhombic supercell. I use Monkhorst-Pack sampling scheme. As far as I known, the number of k points is decided by the norm of...

02 March 2018 782 0 View

How does cluster expansion handle 3 elements?

Hi all, Because my project is about the alloy's clusters which does not change the lattice of matrix, I noticed that cluster expansion can be a convenience tool for my project. As far as I know,...

08 September 2017 1,461 0 View

Is there anyone who study the age hardening or precipitate?

My project is Mg alloy, and I find that in some dilute Mg alloy system, e.g, Mg-Nd, the precipitate do not form something with low atom percent of Nd; on the contrary, the first phase is Mg7Nd,...

08 September 2016 1,044 12 View

How VASP calculate elastic constants?

01 January 1970 4,467 4 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Why does blocking with my immunogenic peptide cause nuclear fluorescence in ICC?

Hi all, I am validating a polyclonal antibody raised against human ANT4, through WB and ICC. In most of my controls, the antibody shows very little off-target binding, but when I pre-incubate the...

03 March 2021 5,999 3 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

12% ledeburitic cold work tool steel, etched for revealing retained austenite, any help for clarifying?

Hello everyone. Given microstructure image belongs to a 12% ledeburitic cold work tool steel (annealed and tempered). The sample was etched with picral (100 mL ethanol and 4 g picric acid). I...

02 March 2021 4,119 3 View

Does Napabucasin soluble in dichloromethane and in ethanol?

I need to prepare a solution of Napabucasin (inhibitor of cancer cell stemness) in dichloromethane. The drug is expensive, so maybe somebody already tried to do it. If it is soluble, what is the...

02 March 2021 9,945 3 View

New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before?

Question to you and THEM, the New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before? There appears to be a core problem for...

02 March 2021 3,024 2 View

Help request in CST microwave?

im working now on TPV solar cells and metamaterials and i realy need our help in CST microwave i have a tpv cell simulation and i want to extract particullarly the absorbtion of only the active...

02 March 2021 2,246 2 View

No title

01 March 2021 3,905 5 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View