Nav: Home

Quantum mechanical simulations of Earth's lower mantle minerals

March 02, 2020

Recent progress in theoretical mineral physics based on the ab initio quantum mechanical computation method has been dramatic in conjunction with the rapid advancement of computer technologies. It is now possible to predict stability, elasticity, and transport properties of complex minerals quantitatively with uncertainties that are comparable or even smaller than those attached in experimental data. These calculations under in situ high-pressure (P) and high-temperature (T) conditions are of particular interest, since they allow us to construct a priori mineralogical models of the deep Earth. In the present article, we briefly review our recent accomplishments in studying high-P phase relations, elasticity, thermal conductivity and rheological properties of major lower mantle silicate and oxide minerals including (Mg,Fe)SiO3 bridgmanite, its high-pressure form post-perovskite, CaSiO3 perovskite, (Mg,Fe)O ferroplericlase, and some hydrous phases (AlOOH, MgSiO4H2, FeOOH). Our analyses indicate that the pyrolitic composition can be used to describe the Earth's properties quite well in terms all of densities, and P and S wave velocity. Computations also suggest some new hydrous compounds which could persist down to the deepest mantle and that the post-perovskite phase boundary is the boundary not only of the mineralogy but also of the thermal conductivity.
-end-


Ehime University

Related Thermal Conductivity Articles:

Atomic magnetometer points to better picture of heart conductivity
Mapping the electrical conductivity of the heart would be a valuable tool in diagnosis and disease management, but doing so would require invasive procedures, which aren't capable of directly mapping dielectric properties.
Isotopically enriched cubic boron nitride reveals high thermal conductivity
An international team of physicists, materials scientists, and mechanical engineers has confirmed the high thermal conductivity predicted in isotopically enriched cubic boron nitride, the researchers report in the electronic edition of the journal Science. c-BN is particularly challenging to make and it's difficult to measure its thermal conductivity accurately when the value is high.
Super-resolution at all scales with active thermal detection
IBS research team found the temperature increase caused by the probe beam could be utilized to generate a signal per se for detecting objects.
Thermal cameras effective in detecting rheumatoid arthritis
A new study, published today in Scientific Reports, highlights that thermal imaging has the potential to become an important method to assess Rheumatoid Arthritis.
Sponge-like 2D material with interesting electrical conductivity and magnetic properties
Researchers synthesize a new 2D Metal Organic Framework with an ever-growing list of possible applications.
Graphene substrate improves the conductivity of carbon nanotube network
Scientists at Aalto University, Finland, and the University of Vienna, Austria, have combined graphene and single-walled carbon nanotubes into a transparent hybrid material with conductivity higher than either component exhibits separately.
Scientists' design discovery doubles conductivity of indium oxide transparent coatings
esearchers at the University of Liverpool, University College London (UCL), NSG Group (Pilkington) and Diamond Light Source have made an important design discovery that could dramatically improve the performance of a key material used to coat touch screens and other devices.
Conductivity at the edges of graphene bilayers
For nanoribbons of bilayer graphene, whose edge atoms are arranged in zigzag patterns, the bands of electron energies which are allowed and forbidden are significantly different to those found in monolayer graphene.
Scientists can now control thermal profiles at the nanoscale
Scientists have designed and tested an experimental system that uses a near-infrared laser to actively heat two gold nanorod antennae to different temperatures.
Ionic thermal up-diffusion boosts energy harvesting
Recently nanofluidic salinity gradient energy harvesting via ion channels or membranes has drawn increasing concerns due to the advances in materials science and nanotechnology, which exhibits much higher power density than the macro reverse electrodialysis systems, indicating its potential to harvest the huge amount blue energy released by mixing seawater and river water and enhance power extracted for osmotic heat engines.
More Thermal Conductivity News and Thermal Conductivity Current Events

Trending Science News

Current Coronavirus (COVID-19) News

Top Science Podcasts

We have hand picked the top science podcasts of 2020.
Now Playing: TED Radio Hour

Listen Again: Reinvention
Change is hard, but it's also an opportunity to discover and reimagine what you thought you knew. From our economy, to music, to even ourselves–this hour TED speakers explore the power of reinvention. Guests include OK Go lead singer Damian Kulash Jr., former college gymnastics coach Valorie Kondos Field, Stockton Mayor Michael Tubbs, and entrepreneur Nick Hanauer.
Now Playing: Science for the People

#562 Superbug to Bedside
By now we're all good and scared about antibiotic resistance, one of the many things coming to get us all. But there's good news, sort of. News antibiotics are coming out! How do they get tested? What does that kind of a trial look like and how does it happen? Host Bethany Brookeshire talks with Matt McCarthy, author of "Superbugs: The Race to Stop an Epidemic", about the ins and outs of testing a new antibiotic in the hospital.
Now Playing: Radiolab

Dispatch 6: Strange Times
Covid has disrupted the most basic routines of our days and nights. But in the middle of a conversation about how to fight the virus, we find a place impervious to the stalled plans and frenetic demands of the outside world. It's a very different kind of front line, where urgent work means moving slow, and time is marked out in tiny pre-planned steps. Then, on a walk through the woods, we consider how the tempo of our lives affects our minds and discover how the beats of biology shape our bodies. This episode was produced with help from Molly Webster and Tracie Hunte. Support Radiolab today at Radiolab.org/donate.