What are the Reference EMD or NEMD algorithms to determine the diffusion coefficient in gradient thermal colloid?

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Conditions for reverse thermophoresis appear in nanofluids confined?

Currently perform a molecular dynamics simulation of a suspension of nanoparticles between two walls , explicit , at different temperatures . The density profiles obtained indicate that there is...

05 June 2016 9,357 0 View

How to determine the numbers of bins slab in a molecular dynamics simulation nonequilibrium ?

Hello everyone, using molecular dynamics I have confined nanoparticle suspension between two walls at different temperatures . The separation of the walls is 14nm , and I am using differences...

01 February 2016 6,547 2 View

Reference to study the types of walls / borders that can be used in molecular dynamics ?

Anyone know of a good review where all types of walls / borders that can be used in a molecular dynamics simulation ?. Boundary conditions in general : ie: periodic , empty , fixed, implicit walls...

08 September 2015 5,919 0 View

How can I perform the interaction of an explicit solvent ( atomic ) with wall fixed temperature using an implicit wall?

Hi all, someone knows a trick in molecular dynamics for contacting a fluid (solvent explicit ) with a wall fixed temperature but using an implicit wall ( idealized impenetrable wall that interacts...

08 September 2015 5,926 3 View

What is the time scale on which we can see the Soret effect a suspension of nanoparticles dispersed in an explicit solvent?

For a molecular dynamics simulation , which is the time scale on which we can see the Soret effect a suspension of nanoparticles dispersed in an explicit solvent ?. I just want an estimate , how...

08 September 2015 189 1 View

Conservation of angular momentum in molecular dynamics?

According to what I have seen, many molecular dynamics simulations do not care about the conservation of angular momentum . What I can affect the thermodynamic results that the angular momentum is...

08 September 2015 388 6 View

What are the criteria for determining the stability of a colloidal system from a molecular dynamics simulation?

Someone can provide me a reference for determining from a computer simulation of a colloidal system if this flocculating or has precipitated ? I recommend criteria to determine this?

07 August 2015 7,948 1 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

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

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

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

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

Prabhakar Bhimalapuram

Were you able to find any reference? Sorry for not answering, but I am interested in your question!

Christopher Paredes Arroyo

If Allen is a good reference . Another option is to review Rapaport - Art of Molecular Dynamics, NEMD . But the colloidal system in particular I have not found .