Is there any difference in the electronic energy gap between a pure water and a low-concentrated salt aqueous solution?
I am working on solidification of metals. Iron/steel has been intensively studied. Generally all the steels contain impurities and intermetallics or precipitates. Therefore, they can nucleate...
04 May 2019 8,967 2 View
We know that the defect energy of a foreign at in a solid (crystalline) is well defined and can be calculated from e.g. DFT method. However, when I tried to get solute energy of a foreign atom in...
08 September 2017 4,454 0 View
The interfacial energy of two solids at 0 K is well defined. However, what is the definition of interfacial energy between, e.g. a solid and a liquid at elevated temperature? What is the role of...
06 July 2016 5,488 2 View
I am going to perform simulations of atomistic molecular dynamics simulations on bulk liquid and iquid/solid interfaces for light metals, such as Mg, Al, etc. What are the best potentials for...
01 February 2016 9,668 4 View
Dear everone, I have a simple question about the definition of doping concentrations. For example, one presents his/her doping formula for a complex crystal as: ABmCn:X. Then the author states...
01 February 2015 7,231 11 View
I have been puzzled by a question about the choice of a journal for research results. Nowadays, many researchers choose a popular journal (with a high impact factor) rather than a specific...
11 December 2013 6,984 7 View
Topologically both a-Silica and c-Silica are composed of SiO4 tetragonal coordination and O-Si2 bridging bonding. Should there be significant differences for the Si and atoms on surfaces ?
03 April 2013 3,072 11 View
Ti can dissolve in liquid Al at low concentration. I'd like to know whether there are any experimental measurements or theoretical simulations on this issue. Thank you very much in advance.
01 January 1970 6,600 6 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 View
I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...
10 August 2024 4,005 2 View
How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?
09 August 2024 3,291 2 View
One can try to generalize the Vandermonde determinant in the following direction: Let $A$ be any symmetric $n$-order square matrix. Consider its powers' diagonal elements $(A^k)_{ii}$ and...
08 August 2024 6,690 1 View
I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
04 August 2024 1,200 2 View
Why is nonpoint source pollution potentially more harmful and difference between point and nonpoint sources of water pollution?
01 August 2024 1,180 2 View
How do living organisms play a role in the water cycle and why is nonpoint source pollution potentially more harmful than point source pollution?
01 August 2024 7,061 2 View
Hi, I'm curious to know if data on chemical compounds from PubChem, such as water solubility properties, can be used to train a machine learning model for commercial purposes. Will this infringe...
30 July 2024 8,707 1 View
Water scarcity is a significant issue in arid and semi-arid regions due to limited rainfall and high evaporation rates. To address this challenge, various strategies and practices have been...
28 July 2024 7,611 2 View
Water scarcity in arid and semi-arid regions necessitates the development of innovative solutions for water harvesting. Researchers and engineers have been exploring various advanced materials...
28 July 2024 594 6 View