Rdf of atoms from a COM or point in lammps or VMD?

Hello all, as I understand there isn't any straight way to get an rdf of atoms from the center of mass or a coordinate of specific atoms in lammps. I wonder if anyone know any trick or way to get...

16 February 2021 2,517 2 View

Dear Colleagues, I am looking for a way to dop of electrospining nanofibers on the HEPA filter.Someone can guide me?

Electrospining method is important for production of nanofiber .If doped with nanoparticles ,can be used for remove of contaminant such as VOC , but don't have mechanical strengh . For finding a...

24 January 2021 7,290 3 View

I have started to design a Lithium ion battery in Comsol. I need to merge the LIB model with PDEs. any idea how to do that ?

the electrode structure has secondary pore networks , so I need to use different governing equations for the electrodes. I tried to use PDEs , but I have not get any results. Does anybody have any...

02 January 2021 3,225 1 View

How many and which spin multiplicities we should choose for optimization the adsorption of O2 gas with metal complexes?

I want to optimize the interaction between the the O2 molecule and a metal nanocluster, but I need to know which multiplicities I should choose?

25 November 2020 716 2 View

Why Hiden mass spectrometer shows wrong percentages after calibration?

Hello every one I was wondering if someone could help me solve the problem that I have with my Mass Spectrometer. Actually I have already calibrated my MS device for a mixture of 60% Ar and 40 %...

19 November 2020 2,984 3 View

Problem with converting FEM code from MATLAB into Python; what is the fastest solution?

Dear all, I developed a hybrid Phase Field-Finite Element Model (PF-FEM) for fracture of electrode particles of Li-ion batteries. [Isotropic & Hybrid] Phase Field-Finite Element Model (PF-FE......

31 October 2020 8,810 1 View

Could anyone help me about my problem with getting current in armchair MOS2 nanoribbon in transiesta?

Dear siesta users I am using transiesta code to get the I-V characteristics of Armchair MoS2 nanoribbon as scattering (with 8 unit cells) and electrode material. All the calculations (electrode,...

12 October 2020 4,306 6 View

Dimensionless geometry in Ansys Fluent?

Hi Everyone. I have this dimensionless governing equations that I want to solve in Ansys Fluent. But then, in Ansys Fluent, the geometry only dimensional. So my question is, does dimensionless...

17 September 2020 9,096 3 View

What is the best method for the reaction of a acid and an epoxy monomer?

I am going to react a free fatty acid with 1,2-epoxydecane.

11 August 2020 8,227 2 View

Grow E.coli in 384 microplates without shaking?

Hello, I need to grow E. coli in 384 microplates directly from colonies. They contain an Amp resistance plasmid. We cannot shake the plate. I tested LB, but they grow poorly. Any suggestion to...

11 August 2020 5,386 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'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

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View