How can I calculate surface coverage (molecule/nm2) of the adsorption of a molecule in a surface?

Hello guys, I need to calculate surface coverage (molecule/nm2) of the adsorption of a molecule in a surface? Is there any software to do this? Im doing a DFT work on VASP. Thanks in advance

31 December 2015 8,143 10 View

Operating system error: Cannot allocate memory Out of memory?

Hello guys! I am simulating some GNR with DFT as implemented in vasp. At certain stage of the simulation I get the following error message .. Operating system error: Cannot allocate memoryOut...

31 December 2015 5,963 0 View

Can anybody provide me with a step-by-step tutorial to optimize AGNRs?

Hello everyone! I would like to optimize some AGNRs structure in vaps. Can you provide me any link or paper that can be useful on that purpose? My idea is to start with a small AGNR, e.g., 5-AGNR...

31 December 2015 8,409 0 View

What is a degenerate semiconductor?

Can anyone explain to me what a degenerate semiconductor is? How can I recognize when a semiconductor is a degenerate one? Can I find out this from the DOS pattern? Luis

11 December 2015 9,405 5 View

How to change coordinates from direct to Cartesian?

05 June 2015 600 3 View

What is the meaning of on-site energy?

Hey guys, Can you explain the meaning of "on-site energy" in the following context? The edge carbon atoms of our GNRs (armchair graphene nanoribbons) are passivated by hydrogen atoms so that the...

04 May 2015 7,614 8 View

Can anyone explain the Local states in Density of states?

When I include an oxygen vacancy in SnO2 system a local state appears in the the middle of the forbidden gap. How can this affect the properties of my system? I am very new with the topic, I am...

31 December 2014 4,384 4 View

How can I see the dirac cones in a real graphene-based transistor?

I have some graphene transistors available. I also have a prove station. I would like to know what measurements I can do to see the cones. Thanks, Luis

31 December 2014 7,355 3 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 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'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

I got 02 moderator values defining Johnson-Neyman significance regions. Is it an error?

Hi everyone, I am conducting research for my Master's thesis. I am using PROCESS by Johnson-Neyman to analyze my Moderator model. I test the relationship between Public Service Motivation and...

03 March 2021 2,350 2 View