How to construct different filler shape in MD simulations?

Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.

20 February 2021 1,750 1 View

How to perform Charge discharge in Pine instrument?

i want to do GCD study of specific material in a specific potential let discharge from 1.0V to 0.2V and again Charge it to 1.0V. How to perform this experiment using pine instrument?

03 January 2021 9,784 1 View

Relation between bond energy per atoms with the number of bonds?

In experimental, the bond energy per atom rises quadratically with the number of bonds then why in simulations this bond energy per atom rises linearly with the number of bonds per atoms?

21 September 2020 5,818 3 View

Calculation of surface energy components from MD simulation?

Is it possible to estimate the polar and dispersive surface energy components from MD simulation?

15 June 2020 7,214 1 View

How to efficiently do the Comparative Genomics of 400 genomes of large size? I want to reduce this dataset to an exhaustive list. Any advice please?

I have to do the comparative genomics of the various genomes present on NCBI for Xanthomonas Oryzae species. I am having major issues in that. I don't have any programming experience, per se. I...

06 March 2020 1,027 3 View

How to calculate the specific capacity (C/g) from CV and GCD curves for the symmetrical battery type supercapacitor device?

Hii, I want to calculate the specific capacity (C/g) from CV and GCD curves for a symmetrical battery type supercapacitor device. So, can any one please help me in this regard. Thanks in advance.

10 September 2019 6,875 4 View

Please suggest any possible industrial applications of isotactic poly vinyl acetate and poly vinyl alcohol?

Though atactic polymers of PVAc and PVA are more versatile than isotactic polymers, but is there any end applications of such polymers ?

22 July 2018 3,579 4 View

Is it ok to use unpaired t test in my case?

I have the results from an experiment . The groups are 1. Saline 2. Treatment 3. Saline + X inhibitor 4. Treatment + X inhibitor In previous experiments, treatment had a remarkable effect....

01 April 2018 7,392 3 View

Which is the appropriate method for determining sample?

10 June 2017 9,558 6 View

How to calculate Akaike Information Criterion (AIC) for non-linear growth model

What are the criteria to select the best growth model ?? (Adjusted R2, AIC, or if any...) Whether AIC can be calculated for non-linear regression growth model

29 January 2017 944 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

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

Polymer composites suddenly solidifies?

I am making polymer composite by solvent mixing method. When I am trying to add filler solution in polymer solution it quickly get solidified. How to make them then uinform? It doesn't give time...

03 March 2021 7,540 4 View

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 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