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

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

How many atomic rows (in width) need a GNR to be considered graphene and not GNR anymore?

A graphene nanoribon (GNR) usually is defined by N-GNR where N is the width and is measured in atomic rows. My question (which is a curiosity) is ... How many N should my GNR have to be considered...

01 February 2015 9,249 2 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

What is the most Operating System (OS) which can be INSTALL on Tiny hard devices like Raspberry Pi (RPi) hardware ?

I'm targeting to deploy a mesh network and manually configure MANET routing protocols. I'm preparing scenarios, architectures, and hard devices needed to do that. Are there some step-by-step...

03 March 2021 1,931 5 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'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