Hexagonally CNT packed?

Dear all, Does anybody simulate the hexagonally packed CNT with lammps? I want to study about water permeation through these membrane. please introduce me some papers. thanks

04 May 2019 8,502 6 View

Hydrodynamic equation for pipes junction?

Dear all, I want to know about the hydrodynamic equations for junction of pipes with non-uniform cross section. how about the Hagen-poisueille equation for these type of junctions? how could...

04 May 2019 5,741 6 View

Surface roughness in tubes?

Dear all, I want to know about defining surface roughness in tubes. I connect two tubes with different radius, for example have one smaller tube between two parts of larger tube and then increase...

02 March 2019 8,650 1 View

Problem with fix/chunk and bin/cylinder for plotting radial velocity profile?

Dear all, I want to have the velocity profile in the radial direction. I use compute chunk/atom bin/cylinder and fix chunk. but in the output , it gives me the wrong bins for radius and so zero...

10 November 2018 3,187 0 View

How to create a pore in a BN sheet?

Dear users, I simulate a boron nitride sheet and want to create a pore in this sheet. my problem is that when i create such a pore, the script gives me the error about the net charge. because...

09 October 2016 2,827 4 View

Simulating SiCNT OR BNNT?

Dear users; I want to simulate SiCNT or BNNT, but I have some problems! could anybody help me? is there a script or program or software that simulate this nanotubes before? please itroduce me...

04 May 2016 3,270 2 View

What is the relation between wetting and friction in the nanoscale?

Dear all, I want to do a research on the transport of fluids in carbon nanotubes and investigate the relation between fluid-solid friction and wetting. any paper or books in this field would be...

02 March 2016 517 1 View

How to choose the appropriate correlation parameters for calculating auto correlation function in LAMMPS?

01 February 2016 5,891 4 View

How to put water molecules with the constant density in a carbon nanotube?

Dear all, I want to calculate the density of water in cnt at 300 K and 1 atm (cnt connected to the two reservoirs of water). then as in the papers said i want to simulate a single cnt and filled...

01 February 2016 5,720 1 View

Has anyone worked on predicting the friction coefficient of water in carbon nanotubes using LAMMPS?

11 December 2015 3,501 2 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

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

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...

03 March 2021 1,682 3 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

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

What is the characteristic length to determine the Reynolds number for the scattered turbulent fluid flow?

Dear all, I just saw this example in FB on the difference between laminar flow and turbulent flow. The flow from a pipe hits the sink and scattered. The flow from the pipe is characterized as...

02 March 2021 1,999 5 View