Re: Standard density -reg

From: Mani Kandan (manikandand5110_at_gmail.com)
Date: Wed Oct 24 2018 - 23:30:55 CDT

Thanks, I got answer. I thought overall density to be 1g/cm^3, now I
understand my thought was wrong.
I have an another question.

I ran NPT simulation and got density in between the density of water and
the density of silicon nitride. But When I apply the e-field of 0.3 V/A, I
am clearly seeing the formation of vacuum in the system. Here density is
uniform then why this behavior is happening? I am unable to find the reason
for this. What could be the problem?

MANIKANDAN D

On Thu, Oct 25, 2018 at 2:20 AM Jeff Comer <jeffcomer_at_gmail.com> wrote:

> "If I am measuring water density (mass of water /(volume of the system
> -volume of silicon nitride)), then it gives 1 g/cm^3"
>
> This sounds like the correct way to calculate the density of water. And
> you get the correct answer. I'm not sure what the problem is.
>
> Silicon nitride has a higher mass density than water (
> https://en.wikipedia.org/wiki/Silicon_nitride ), so if you include it in
> the calculation you will get a density in between the density of water and
> the density of silicon nitride.
>
>
> –––––––––––––––––––––––––––––––––––———————
> Jeffrey Comer, PhD
> Assistant Professor
> Institute of Computational Comparative Medicine
> Nanotechnology Innovation Center of Kansas State
> Kansas State University
> Office: P-213 Mosier Hall
> Phone: 785-532-6311
> Website: http://jeffcomer.us
>
>
> On Wed, Oct 24, 2018 at 2:11 AM Mani Kandan <manikandand5110_at_gmail.com>
> wrote:
>
>> Dear all,
>>
>> I solvated silicon nitride nanopore and ran NPT simulation for
>> 1 ns. I measured the density of the system, it shows as 1.9g/cm^3. It has
>> to give standard density of 1g/cm^3. What is the reason for deviating from
>> standard density? If I am measuring water density (mass of water /(volume
>> of the system -volume of silicon nitride)), then it gives 1 g/cm^3. Can I
>> take this system reaches standard density or not? If not then what can I do
>> get standard density.
>>
>>
>> MANIKANDAN D
>>
>

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