According to molecular dynamics simulation.
Dear Jaime, thanks for your answer. I will check these papers.
I have noticed that the authors used a simulating box including millions of atoms in these papers. While I only used about 20,000 atoms in my work. I am wondering whether it is physically true.
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
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
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
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
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
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
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
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
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
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 2021 0 0 View
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
The role of climate change influencing the human behavior as well as economics interest
01 June 2021 0 0 View
