How to calculate polarization in [110] direction in case of orthorhombic BaTiO3 using Quantum ESPRESSO?

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How to formulate the dynamics of the body of a legged robot(quadruped/hexapod) ?

I need to formulate the lagrangian dynamic equations for the hexapod robot's body. The body will constitute 6 DoF, which is 3 linear and 3 angular. I have the coordinates of each corner of the...

24 December 2020 1,222 1 View

How to convert the Coriolis and centripetal force matrix in Lagrangian formulation from S(q,q'): n1 to S(q,q')q':nn ?

The Coriolis matrix S(q,q') in the Lagrangian formulation is a coupled n*1 matrix. But in many mathematical models, an n*n Coriolis matrix S(q,q') multiplied by q' is used. I need to understand...

16 November 2020 3,640 4 View

How to use CHARMM force field into GROMACS for metal surfaces?

Dear all, I have a generated .pdb and .str files for copper surface using CHARMM-nanomaterial modeler (http://www.charmm-gui.org/?doc=input/nanomaterial). This .pdb file can not be used to...

03 November 2019 669 6 View

How porosity and surface area affect supercapacitor performance (and other electrochemical applications) ?

Usually, high surface area and porosity are reported to be the primary reasons for good electrochemical sensing and supercapacitor performance. Please explain what exactly happens with high...

24 June 2019 6,543 6 View

Is it necessary that a composite of metal oxide and rGO should always exhibit better energy storage properties compared to only metal oxide and rGO?

Kindly shed some light on it. In my case, the rGO alone is providing better supercapacitor properties than composite.

07 April 2019 7,811 3 View

How to make composite using ultrasonication, when one of your constituents is Grphene? What should be the ratio of both participating materials?

Suppose, I want to make a composite of MOF and graphene. I wish to study the effect of relative content of participating constituents on the electrochemical properties. How to choose the ratio for...

24 June 2018 3,707 5 View

Why in some cases Binder free electrode works well (stable ~95% after 1000 cycles) during continuius charging discharging of supercapacitor test ?

I am trying one coordination polymer as electrode material on glassy carbon electrode. It is showing good stability. What can be the reason?

19 June 2017 9,380 6 View

How to debug VUMAT subroutin in visual studio?

Dear friendsI have wrote a main program in VS to debug VUMAT subroutine for testing but I have some problems while debugging which leads to break! It seems the parameters are not correctly...

10 June 2017 9,182 2 View

In case of glassy carbon electrode, how can we characterize it after electrochemical testing?

Is SEM, XRD or XPS possible on glassy carbon electrode?

10 March 2017 6,013 7 View

What is overpotential w.r.t. electrochemical sensors? How to minimize it?

Why in some cases it is very high ?

14 January 2017 9,502 5 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

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...

03 March 2021 1,682 3 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 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

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(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

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

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View