How to generate random initial configuration in MD dl_poly?

21 February 2022 1 974 Report

I'm trying to generate SiO2 glass structure through melt-quenching in dl_poly. Should I start with SiO2 crystal or random Si n O atoms first? How to begin with MD dl_poly?

Tumurjin Ganbaatar

Thank you for your answer.

Badges
Science topic

Similar topics
Medicine
Epi
Age Groups
Children

More Tumurjin Ganbaatar's questions See All

What constrains should I use for silicate glass when melting in Molecular Dynamics?

Hello, I have been trying to simulate silicate glass by melt quenching. But after the relaxation, when heating the system, the simulation stops with the DLPOLY error code 0 (atoms beyond the box,...

05 May 2022 7,127 0 View

How to remove the residual that's left in alumina crucible after DTA thermal analysis?

Hello, I have done the DTA thermal analysis using Setaram TG92-16 thermogravimetric analyzer. My powder sample was composed of SiO2-Na2O-CaO-P2O5-SrO glass sample. I've heated this up till 1300°C...

01 February 2022 7,120 3 View

How should I begin my DTA analysis?

Hello. I have been doing my thesis on bioglass (SiO-Na2O-CaO-P2O5) and I did DTA and the obtained curve looks like this. But I don't know how to find Tg and Tc and melting point from this curve....

27 January 2022 968 5 View

How to obtain mixed perovskite film with good morphology ?

Hello, I have been trying to obtain mixed perovskite film based on FA, MA, PbI2, PbBr2. I prepared solutions in DMF and DMSO (4:1). But, after annealing, grayness color was observed on the film....

17 January 2018 4,919 1 View

How to remove DDQ from bodipy reaction only possible colmun chomatography tecnique use here ?

bodipy moiety are high polar nature .so its are bottom of TLC PALTE up to 20;80(ethyl acetate;hexane) mixture so its binding in SiO2 SO YIELD is so decreased. how to remove DDQ from reaction mixture?

02 July 2024 8,846 4 View

How to calculate the proportions in grams or milliliters of the compounds for 60 mL of SAPO-11 zeolite precursor gel?

It is required to make a precursor gel for a SAPO-11 Zeolite, the compounds are the following: * As a source of Al: Aluminum Isopropoxide (98%) Formula: C9 H21 O3 Al PM: 204.24 g/mol Density:...

01 July 2024 617 3 View

Metal film diffuses through SiO2 and reaches Si substrate?

I deposited a 50-nm-thick Pt film on a silicon substrate using magnetron sputtering method. TEM results showed the presence of SiO2 layer between Pt and Si-sub. Strangely, between SiO2 and...

06 May 2024 531 3 View

Is depositing SiO2 on PDMS through sputerring/PECVD for hydrophilicity a good idea?

I am making PDMS flexible microfluidics and would like to deposit SiO2 onto the microchannels to make them hydrophilic for longer (since plasma treatments only last a few hours at best). I've...

24 April 2024 585 1 View

Why is the hydrothermally prepared MoS2 nanoflower not adhering properly to the SiO2 substrate and not making proper contact with the electrode?

I have prepared MoS2 using a hydrothermal approach and then dropcasted it onto a SiO2 substrate. However, it is not adhering to the electrode and does not make proper contact, resulting in no...

02 April 2024 6,151 0 View

How to check leakage current of Si-SiO2 wafer?

I want to use the n-type Si wafer coated with a 300 nm SiO2 layer for the OFET device, but for that, I have to check the leakage current of the dielectric layer. how?

07 February 2024 4,115 2 View

How to remove SiO2 thin film from the InP-based PC wafer?

Hello everyone! It is my first time to fabricate InP-based photonic crystal. I've already finished fabricating the photonic crystal using EBL. And now I want to remove the 200nm SiO2 mask from...

07 January 2024 2,394 3 View

Is there any geological process can led to the concentration of Ni and Cr content in the more evolved magma?

Hello everyone. In my research area, monzonite and granite with MMEs (mafic microgranular enclaves) included was analyzed. They show indistinguishable whole-rock Sr-Nd isotope compositions and...

29 December 2023 6,918 5 View

Questions about the project?‏

Hello Jiang Cao I Have two questions about "Operation and Design of van der Waals Tunnel Transistors: A 3-D Quantum Transport Study". Please help me in this matter. 1- when low dimensional...

15 November 2023 6,202 0 View

Resist developer etching time for ALD films?

Hi, Does anyone has experience with resist developer etching time for ALD films? My...

11 November 2023 6,646 0 View