How correctly import molecule data to LAMMPS format?

Dear Lammps/MD experts, I am going to model an epoxy resine structure with Lammps. The initial structure of epoxy resin (Epon resin 862) is available online in for example in CDXML format (as...

09 November 2020 1,080 3 View

Does anybody have experimental data on compression of TiO2-anatase particles?

Dear ceramics experts, I need to verify my MD simulation results with experiment. I have modeled compression behavior of TiO2-anatase nanoparticle (30/40 nm) under different crystallographic...

09 November 2020 6,391 4 View

How to preform a plain quantum calculations ?

Dear QM experts, I am going to perform a simple QM calculation from my resulted MD structures in order to analysis their photoelectric properties. But unfortunately I am new in the area and I...

06 December 2018 3,837 4 View

Is it possible that a microbe stimulates plant growth (PGP), but produces an abnormal protein in the plant?

Is it possible that a microbe (such as a bacterium) stimulates plant growth, but in proteomics studies it turns out that this bacterium produces an abnormal protein in the plant? For example,...

23 September 2018 1,670 3 View

What strategies and techniques do politicians use in order to save or protect their face in political interviews?

Many researchers have studied political interviews to investigate what strategies politicians employ in order to present a positive face. Bull and Mayer (1993) examined how politicians equivocate...

18 March 2018 1,657 3 View

How do politicians save face in political interviews?

07 February 2017 4,048 8 View

COVID-19, nervous system and the brain...

Considering the COVID-19 pandemic and the widespread effect of the infection on different organs and systems, new evidence is adding up to the potential influence of COVID-19 effects on emergence...

01 January 1970 2,830 9 View

Is gender-oriented biological or medical research equal to a biased study?

Most of biological and medical investigations choose to involve either male or female (rarely both) subjects to study. To merely include subjects from one gender (particularly males in rodent...

01 January 1970 837 8 View

New hypothesis for Alzheimer's disease etiology: Long-lived proteins and Lysosomal failure

For decades the AD theory of accumulation of A beta plaques and phosphorylated tau tangles has dominated the research on AD. Notwithstanding the tremendous amount of exciting studies in the field,...

01 January 1970 4,200 3 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

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 3 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 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

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

How can you bring two structures together to create an adhesive bond in LAMMPS?

I have created an Ice 1h crystalline structure and an Aluminium substrate structure and equilibrated both at 250K. Now I need to bring them together in a way that an adhesive bond is created....

01 March 2021 3,325 2 View

Is CD44 degraded in lysosome together with hyaluronan after CD44 mediated endocytosis of hyaluronic acid?

Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...

01 March 2021 8,169 2 View

What is the density for pva electrospining?

I'm Juan Carlos, a high school student who is working with electropinning, I made an electropinning machine with a 21g needle and a 30kv high voltage source and the distance between my needle is...

28 February 2021 298 3 View