Arsenic often appears in minerals rich in iron and sulphur, such as pyrite (fools’ gold). Scientists working as part of eMinerals, a major project funded under the Natural Environment Research Council’s e-Science programme, have found out precisely how arsenic is taken up and held in the pyrite structure and the factors likely to lead to its release. “We now know that arsenic replaces the sulphur in pyrite rather than the iron, and that pyrite is likely to dissolve more easily when arsenic is present,” says Dr Kate Wright, who worked on the project. Further work could identify ways of stabilising arsenic-containing iron sulphide rock by introducing additives that slow the rate at which it dissolves.
The eMinerals project found that a dioxin molecule will bind more strongly to clay surfaces the more chlorine atoms it contains, irrespective of the position of the chlorine atoms in the dioxin molecule. It also found that binding is stronger the greater the electrical charge on the surface. However, water competes with dioxin to bind to surfaces and, in practice, a dioxin molecule’s ability to bind to a surface is a balance between the binding strength of the dioxin to the surface, the water to the surface, and the dioxin to the water.
Both examples involved performing numerous simulations of the interactions between the different minerals in soil and rock with all the known variants of the contaminants. For example, there are 76 different variants of the dioxin molecule and numerous mineral surfaces in the environment to which they can attach, so hundreds of serious calculations are necessary.
The project has developed a grid infrastructure consisting of clusters and condor pools (including campus grids) at the collaborating institutions and resources held on the National Grid Service and the North West Grid. High performance computing resources can also be accessed for particularly large simulations if necessary.
Without access to such grid resources, researchers would have to perform all of the simulations sequentially, taking too much time to be practicable. Using the eMinerals infrastructure, they can submit all these jobs at once and see the results within a few hours. Results are automatically returned to a distributed data store with an interface that shows the files as if they are part of a single system. The data can be accessed remotely by collaborating scientists, as well as by those who originally submitted the job.
“We’re doing grid properly. We can submit hundreds of jobs from the user’s desktop to a number of different compute grids, and get the data back with metadata attached and with the analysis done - and in a state that enables collaborators to understand what the simulations are saying. We’re giving control back to the user,” says Professor Martin Dove, eMinerals principal investigator.
Invasive Insects Cost the World Billions Per Year
04.10.2016 | University of Adelaide
Malaysia's unique freshwater mussels in danger
27.09.2016 | The University of Nottingham Malaysia Campus
Researchers from the Institute for Quantum Computing (IQC) at the University of Waterloo led the development of a new extensible wiring technique capable of controlling superconducting quantum bits, representing a significant step towards to the realization of a scalable quantum computer.
"The quantum socket is a wiring method that uses three-dimensional wires based on spring-loaded pins to address individual qubits," said Jeremy Béjanin, a PhD...
In a paper in Scientific Reports, a research team at Worcester Polytechnic Institute describes a novel light-activated phenomenon that could become the basis for applications as diverse as microscopic robotic grippers and more efficient solar cells.
A research team at Worcester Polytechnic Institute (WPI) has developed a revolutionary, light-activated semiconductor nanocomposite material that can be used...
By forcefully embedding two silicon atoms in a diamond matrix, Sandia researchers have demonstrated for the first time on a single chip all the components needed to create a quantum bridge to link quantum computers together.
"People have already built small quantum computers," says Sandia researcher Ryan Camacho. "Maybe the first useful one won't be a single giant quantum computer...
COMPAMED has become the leading international marketplace for suppliers of medical manufacturing. The trade fair, which takes place every November and is co-located to MEDICA in Dusseldorf, has been steadily growing over the past years and shows that medical technology remains a rapidly growing market.
In 2016, the joint pavilion by the IVAM Microtechnology Network, the Product Market “High-tech for Medical Devices”, will be located in Hall 8a again and will...
'Ferroelectric' materials can switch between different states of electrical polarization in response to an external electric field. This flexibility means they show promise for many applications, for example in electronic devices and computer memory. Current ferroelectric materials are highly valued for their thermal and chemical stability and rapid electro-mechanical responses, but creating a material that is scalable down to the tiny sizes needed for technologies like silicon-based semiconductors (Si-based CMOS) has proven challenging.
Now, Hiroshi Funakubo and co-workers at the Tokyo Institute of Technology, in collaboration with researchers across Japan, have conducted experiments to...
14.10.2016 | Event News
14.10.2016 | Event News
12.10.2016 | Event News
21.10.2016 | Health and Medicine
21.10.2016 | Information Technology
21.10.2016 | Materials Sciences