How to convert a cif file into lammps file using atomsk?

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Silver oxide nanoparticles are Hydrophobic or Hydrophilic ?

How to determine whether the nanoparticles are hydrophilic or hydrophobic without measurement of contact angle?

07 August 2018 6,304 0 View

Suggest the best dispersant for silver oxide nanoparticles?

Should I use water, ethanol or ethylene glycol? Which one is best to use?

07 August 2018 1,705 9 View

How can I vary lattice constant over a range in LAMMPS?

I am trying to plot Energy vs Volume plot by varying lattice constant. By which command can I vary the lattice constant in LAMMPS?

03 April 2018 2,349 3 View

How to check the homogeneity of a mixture of dry powders?

I want to know that how we can check that powder is homogeneously mixed or not? How can we assess the homogeneity of powder mixture. Lets say we have a mixture of metal and ceramic powder. The...

01 February 2018 1,485 7 View

How do we know the isoelectric point of powder dispersion without measuring the zeta potential of the powder dispersion?

For making powder dipersions for DLS analysis, the pH of the dispersions has to be adjusted according to the pH at the isoelectric point. How do we know the isoelectric point of the powder...

09 October 2017 2,919 11 View

In DLS analysis, is it necessary to add a dispersant for all types of powder sample when preparing a stable dispersion for particle size analysis?

For DLS analysis, the powder sample should be well dispersed in a suitable solvent with minimum agglomeration. For this purpose dispersants are added. My question is that: Is it necessary to use a...

01 February 2017 559 2 View

Is it recommended to use glycerine as solvent for DLS size measurements?

I am measuring the size distribution of PbO particles with glycerine as solvent with Malvern zetasizer. Is it ok to use glycerine as solvent. I am also adding dispersant in it.

31 December 2016 3,867 7 View

What is the significance of blue or red shift in D and G peak of Raman spectrum of disordered graphite(amorphous carbon)?

Raman spectrum of disordered graphite with D and G peak.

09 October 2015 9,783 0 View

What is the significance of width of D peak in Raman spectrum of disordered graphite (amorphous carbon)?

Raman spectrum of disordered graphite or amorphous carbon.

09 October 2015 9,214 2 View

The ID/IG value is found to be 0.7 in Raman spectrum of carbon. What can I predict about the resulting structure of carbon?

The ID/IG value is found to be 0.7 in Raman spectrum of carbon. What can I predict about the resulting structure of carbon? (Raman spectrum consisting of D and G peak)

09 October 2015 5,701 5 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

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

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View