How to find lattice constant with calculation of lattice strain?

More Amir Esfahani's questions See All

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View

Is it possible to define biogas as a fuel in the reformer process(scwg) in Homer software?

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How can I measure the surface interaction or surface interfacial chemistry between polishing abrasives and upper surface of substrate ?

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14 February 2021 3,606 2 View

Can explain this diagram to me, is this the average consumption curve for one day or the total consumption of days in a month summed up in specific?

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08 February 2021 657 16 View

How to conduct mesh sensitivity/convergence analysis in MSC Marc Mentat?

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04 February 2021 3,310 3 View

Why VASP MD Crashes with ALGO = Fast ?

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25 January 2021 9,876 3 View

How to measure the size of simulated/generated Fields(Magnetic or Electric)?

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What is the best way to calculate electrical conductivity of semiconductors and the same system with a layer of oxide using Quantum Espresso?

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What is the gradient thermal annealing (GTA) process?

Hello to all What is the gradient thermal annealing (GTA) process?

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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

How to compare two groups with only two measurements?

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Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence?

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What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

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What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

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Gerhard Martens

Dear Amirreza,

please get familiar with Williamsen-Hall plot evaluation of your data.

In the second link please have a look at page 21.

In the ppt please have a look at the last slides.

Good luck

https://www.researchgate.net/post/Formula_for_calculating_crystallite_size_and_lattice_strain_using_XRD_data

http://cbc-wb01x.chemistry.ohio-state.edu/~woodward/ch754/powder_diffraction.pdf

https://homepages.abdn.ac.uk/j.skakle/y3-2002/new3lec16.ppt