Open source software for modelling of Polymer molecules for LAMMPS

More Hansinee Sakunthala Sitinamaluwa's questions See All

What are the best brands for electrochemical workstations?

Dear RG members, Can you please recommend me best suppliers for electrochemical workstations? I know about Gamry, Bio-Logic, Metrohm, Landt etc. Also I have found other suppliers from the web,...

10 November 2018 6,111 1 View

What is the best cathode for anodization of Titanium?

I am trying to synthesize TiO2 nanotubes by anodization of Titanium sheet. In literatue, I have come across about different cathode materials such as Pt, Pd and graphite. I would like to know what...

09 October 2018 3,671 6 View

Graphite based commercial Li-ion battery electrode materials

Dear Members, Most of commercial Li-ion batteries use graphite as the anode material in their batteries. I am looking for the information on material structure and properties of these electrodes....

01 January 1970 5,293 5 View

What is the nature of atomic bond between silicon and lithium?

It is well known that silicon interacts with lithium to form the Li-Si alloys, however, the nature of the atomic bonding between Si and Li atoms are unclear. Can you please share with me any...

01 January 1970 8,943 8 View

How can I prepare virus for a TEM or SEM imaging?

I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?

11 August 2024 3,115 1 View

Handling Missing Data and Building a Predictive Model with Incomplete Information ?

I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...

10 August 2024 4,005 2 View

Adhesion strength of coating?

How can I determine a good adhesion strength range for coatings on polymer surfaces, such as DLC on polymer substrates? Is there a specific threshold for adhesion strength (from T-peel tests)...

10 August 2024 942 3 View

Is it possible to use the Fused Deposition Modeling (FDM) to additively manufacture interconnected porous structure generation of >100-200 micrometer?

Usually, additive manufacturing techniques like SEBM, SLS, and SLM are used for interconnected porous lattice structure generation with sizes of >100–200 micrometers. Can the Fused Deposition...

09 August 2024 7,892 0 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...

09 August 2024 5,048 2 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

How can I apply boundary conditions in an orthotropic steel deck numerical model using ABAQUS software?

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How to increase simulation box size?

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Can you suggest reliable sources defining "3D mesh" and "3D city models"?

Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...

06 August 2024 9,986 2 View

How to heat polymer for about 130° without oil bath ?

is there any other way to heat a polymer evenly other than oil bath if so what are those and how to use it

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Andrew Huy Nguyen

I suggest checking out Moltemplate. I find it to be useful in building polymer and generating the potential file.

http://www.moltemplate.org/

Hansinee Sakunthala Sitinamaluwa

Dear Andrew, Thank you very much. It looks useful and I will check it out.

Naveen Kumar Vasudevan

Xenoview has provision to build polymers from monomer units. Moltemplate is quite versatile and flexible too.

http://xenoview.mat.rpi.edu/