How can I simulate the diffusion of impurities (i.e., H, He,...) in metals by kinetic monte carlo (kMC)?

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Resistivity of PVD TiNx thin films vs. N2 flow?

In the PVD of TiN thin films (~100A), I've found the resistivity of the TiN films dropped from ~100 to 60um*cm with N2 flow increasing up to the metallic mode ending point; then the resistivity...

21 February 2021 1,864 2 View

Build an orthogonal box in ASE?

Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...

21 February 2021 5,899 4 View

Is diversity in teaching methods for students important in communicating information?

26 January 2021 3,387 7 View

Do you have some articles to recommend about comparative experimental study about gas and water flooding with oil reservoirs?

I would like to know in the oil extraction, which is more efficient: gas flooding or water flooding? Will water flooding be more efficient in hydrophilic reservoirs with capillary...

29 December 2020 3,471 3 View

What does this PZC data mean?

I measured different kinds of catalysts which were dispersed in DI water.I firstly added certain amount of HCl and then used NaOH to titrate and measure the pH value. What does this result mean?

27 December 2020 5,728 4 View

How many times should I inject the drug before I take samples for RNA-Sequencing?

I'm going to perform RNA-sequencing of the zebrafish brain with three different treatments, which are naive fish, alcohol withdrawal fish injected with Saline, alcohol withdrawal fish injected...

08 December 2020 4,643 2 View

How do I transform the "Transcripts" into the "Gene symbol"?

I downloaded the expression matrix data "GSE143416_Brain_data_TPM.txt.gz" of GSE143416 from Gene expression omnibus ( https://www.ncbi.nlm.nih.gov/geo/query/acc.cgi). However, the first column of...

30 November 2020 1,304 3 View

How to explain "Localized Surface Plasmon Resonance" phenomenon of silver nanoparticles in transmission mode of UV/Vis spectroscopy?

The UV/Vis spectrum of my AgNP samples show a global curve at around 450-500 nm, which should be attributed to LSPR of silver, but how could I explain this phenomenon without reflective UV/Vis...

24 November 2020 665 2 View

How to inhibit the ion conversion between Mn4 + and MN2 +?

Dear scientists, I have a question to ask you, it is known that Mn4+ is beneficial to the soil, but part of Mn4+ in the soil is easy to be converted to MN2 +, is there any way to inhibit its ion...

21 November 2020 1,200 5 View

Can DNA sequencing help in identification of hybrids amongst butterflies?

Recently I faced a problem while separating 3 species of genus Lethe butterflies (group Woodbrowns -Satyrinae) working along an elevation gradient and different forest habitats in Kedarnath Musk...

15 October 2020 2,916 3 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

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

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

What is the characteristic length to determine the Reynolds number for the scattered turbulent fluid flow?

Dear all, I just saw this example in FB on the difference between laminar flow and turbulent flow. The flow from a pipe hits the sink and scattered. The flow from the pipe is characterized as...

02 March 2021 1,999 5 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View