Centrality measures computation in Biblioshiny/ Vosviewer?

26 February 2021 7,279 2 View

Can we mix elemental powders of 325 mesh using an agate mortar and pestle?

Elemental Powders like Titanium, vanadium, tungsten, zirconium, hafnium.

04 January 2021 7,357 1 View

How to run spin polarized calculations in quantum espresso?

I would like to run spin polarized calculation using quantum espresso. Is it important to add spin polarization in calculating the wavefunction cutoff, K point convergence and geometrical...

17 November 2020 7,604 2 View

MAX phase synthesis?

We are having titanium, aluminium and graphite powders. But we don't have ball milling facility in our lab. Can we mix these manually using mortar and pestle for obtaining MAX phase powders? How...

16 November 2020 3,436 4 View

Material simulation of Concrete damage plasticity model(CDP), In abaqus?

09 November 2020 268 2 View

How to respond to the comments from multiple reviewers?

I have received comments from three reviewers. many of the comments are similar. do i have to respond to the comments of all the three reviewers individually or can i write a consolidated...

15 October 2020 9,220 4 View

Testing endogeneity in the model through VAR ?

I have the panel data regression model for which have to test the endogeneity. i read one research paper which was using Vector Autoregression (VAR) to test the endogeneity. in that paper, it...

03 October 2020 877 3 View

Enzyme assays of mutant GBA cell lines ?

How do i measure the enzyme activity of human GBA in cos 7 cells that have been transfected with mutant plamids. After 24 hours of plating cells in a 12 well plate, I transfect cos 7 cells with...

30 August 2020 4,496 3 View

How to describe mixed occupancies in the Quantum espresso input file?

I am having trouble describing partial occupancy in the input file. One of the site is occupied by two atoms with (50% occupancy). when I generate input file, the other atom is getting ignored....

19 April 2020 9,383 3 View

Antimicrobial properties of metal oxide nanoparticles?

08 April 2020 3,013 5 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

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 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