Fnu Asrafuzzaman

9 Questions 5 Answers 0 Followers

Questions related from Fnu Asrafuzzaman

How to sole "Fix Ehex thermostat" issue?

To calculate thermal conductivity, I am applying ehex thermostat for the below structure. The Structure is a freestanding type (free surface) where boundary phonons exists (surface) and boundary...

15 April 2025 4,433 0 View

Why is there Nonlinearity inside source and sink region during thermal conductivity MD simulation?

While using "Fix Langevin" system to keep the source and sink temperature constant during MD simulation of Si and/or Ge to calculate thermal conductivity, the temperature profile is showing a...

20 November 2024 8,804 2 View

While doing Si thermal conductivity simulation using Lammps (with Fix Langevin), the source and sink temperature is not remaining constant. Why?

Here is my script. Can anyone be kind enough to direct me where I made the mistake? # heat layers region hot_end block INF INF INF INF 0 6.805 region cold_end block INF INF INF INF 156.506...

28 October 2024 2,642 0 View

During growth of Fe nanowires on SrTiO3 substrate, why do they grow perpendicularly?

During growth of Fe nanowires on SrTiO3 substrate, why do they grow perpendicularly? Why do not they grow in a horizontal fashion? Is that something to do with interfacial energy? If it is, then...

03 July 2023 9,587 1 View

With increasing % of doping, bandgap is decreasing. What could be the reason behind this?

Undoped TiO2 showed a 3.2 eV bandgap while increasing % of Ag-doped TiO2 it is showing that the bandgap is reducing gradually. Is that something to do with crystallite size? the crystallite size...

28 February 2022 9,964 2 View

Why does crystallite size and particle size increase with increasing dopant concentration in case of Ag doped TiO2?

I was trying to synthesize Ag-doped TiO2 nanoparticles. The XRD result shows that with increasing Ag doping percentage (from 0.5%-2%), crystallite size increase accordingly. For example Undoped...

30 January 2022 6,830 6 View

Why does XRD peak shift right or left due to doping?

I have green synthesized TiO2 nanoparticles. For my experiment purpose, I tried doping the TiO2 NPs with Cu and Ag. Cu2+ ion has radii of 0.72 angstrom and Ag+ ion has around 115 angstrom whereas,...

26 September 2021 4,049 5 View

Why acidic medium is necessary for green synthesis of TiO2 NPs from TTIP, ethanol, leaf extract?

1. Most research papers indicate to use of (dropwise) HNO3 or HCl with TTIP and Ethanol mixture before adding the leaf extract. Why is it necessary to make the media acidic? 2. During doping of...

20 June 2021 2,445 4 View

How can I prepare antibiogram/antibiotic disk with TiO2 nanoparticles (NPs) to evaluate the antimicrobial activity of the TiO2 NPs?

I have synthesized TiO2 nanoparticles in dry conditions. Now I want to evaluate its antimicrobial activities against (S. aureus and E. coli) using Kirby–Bauer method. I have used Muller-Hinton...

14 February 2021 6,503 4 View