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

How to raise temperature in small increments during equilibration in LAMMPS?

All, I am trying to equilibrate an Ice 1h crystalline structure to 250K in LAMMPS. When I tried to do this at 250K directly, the structure lost it's crystalline shape and became disordered post...

14 February 2021 5,747 2 View

Can anyone please suggest where I can find a reference for ReaxFF parameters for PTFE(Teflon) suitable for use in LAMMPS?

Trying to simulate a ice-PTFE interaction and am unable to find a reference which actually lists out forcefield parameters for PTFE-PTFE interactions using ReaxFF or even other force fields like...

08 February 2021 9,373 2 View

Should the Ice 1h crystalline structure be lost during equilibration process in LAMMPS?

I have created an Ice 1h structure and am equilibrating it 100K in NVT ensemble in LAMMPS for a timestep of 0.25fs in 3000 steps. The potential used is TIP4P/Ice. Although the simulation runs fine...

26 January 2021 9,603 11 View

Which are the post harvesting processes of turmeric which results in maximum loss of curcumin content of Turmeric?

I am talking about the GI tagged Kandhamal Haladi (Turmeric), which is famous for its curcumin content.There are few blocks in Kandhamal district such as Balliguda where curcumin content is very...

18 November 2020 2,304 3 View

Does the REGION command affect SHAKE algorithm process directly in LAMMPS?

I am trying to simulate an adhesion test using LAMMPS on an ice-Aluminium structure and my script runs fine until I introduce a specified region on which I apply a force in the y-direction using...

07 September 2020 4,897 2 View

Why do I get a lot of colonies upon transformation of digested lenti guide puro?

I digested my lenti guide puro plasmid. The only modification in this plasmid is that it has blasticidin resistance gene instead of puromycin. I get the desired bands at ~8kb but I do not see the...

03 August 2020 2,854 4 View

What is the difference between SJIF and RJIF impact factor ?

the concept of impact factor is very befuddling, I am in a dilemma of what factor we have to take into consideration.

23 March 2020 9,966 9 View

What is the best method to simulate an Aluminium-Ice interface in LAMMPS and defining a potential for this interface?

Apologies, if this has already been asked before here. I am quite new to Molecular Dynamics/LAMMPS and I am trying to simulate a mechanical adhesion test procedure with an Aluminium substrate with...

02 March 2020 9,049 3 View

What is the best tool to conduct simulation of a queueing network model?

What are some introductory documents which help to study simulation from a beginner level? Is Matlab a good platform to perform the simulation? Which tool is more useful if I am looking for (1)...

02 February 2020 4,171 2 View

Can we classify HV and LV lines based on line length?

I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...

03 March 2021 4,116 4 View

What are anisotropic electrical and optical properties of a semiconductor due to?

In some materials, properties such as band gap, thermal conductivity differ along different crystallographic axes. What are the basics?

01 March 2021 1,923 3 View

1 nm thick MgO thin-film to be deposited on Si wafer using thermal evaporation. What will be the optimum deposition conditions?

Favourable conditions of base pressure, rate of deposition. Also, by which characterisation technique to be used to verify the thickness of the deposited film.

28 February 2021 3,640 3 View

Can impedance of antenna be less than 50 ohms?

I am simulating helix antenna in hfss, right now, giving excitation with 50 ohms port. When I see the results of Z parameter (real). It shows lower than 50 ohms. Do not understand, if it can be...

27 February 2021 4,218 7 View

How to prepare a thin polymer film by post-polymerization/crosslinking?

24 February 2021 2,362 5 View

How the Ground Plane implantation is performed without damaging (and w/o varying the undoped nature) the top Si (8-10 nm) in FDSOI technology ?

It is a general practice to introduce Ground Plane in FDSOI devices under the BoX. The Ground Planes are introduced by Ion Implantation through Top Si layer and Buried Oxide. I wanted to know that...

24 February 2021 5,974 4 View

Is is possible to pole with corona poling pellets of the sample material instead of thin films?

As it is highly probable that pellets will have a higher degree of air gaps and voids than thin films, is it possible to pole the samples with corona poling nevertheless? Or is there the...

24 February 2021 1,349 1 View

How to troubleshoot Electrochromic Films and Electrochromic Devices?

I am trying to characterize an electrochromic system. The system uses ITO electrodes on glass, WO3 as the electrochromic film, and NiO as the ion storage layer. When I deposit NiO and WO3 and...

23 February 2021 9,592 2 View

Can a semi-conductor material have different absorption coefficient?

Does the absorption coefficient of the semiconductor changes with the change in the structure of the semiconductor? If you have a thin film and nanowire of the same semiconductor, will the...

23 February 2021 9,799 4 View

How to improve the adhesion between germanium and silicon monoxide thin film layers using EBEAM evaporation?

I want to deposit multilayer coating of germanium and silicon monoxide on silicon wafer using ebeam evaporation?

21 February 2021 2,141 3 View