Mean-field density functional theory of ananoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecularanchoring

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 144, 194704 (2016) and may be found at https://doi.org/10.1063/1.4949330.In this work, we employ classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence. To model the distance dependence of the attractions, we employ a Yukawa potential. The orientation dependence is realized through anchoring of molecules at the substrates, i.e., an energetic discrimination of specific molecular orientations. If the walls are hard or attractive without specific anchoring, the results are “quasi-bulk”-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases, the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases.DFG, 65143814, GRK 1524: Self-Assembled Soft-Matter Nanostructures at Interface

Wheatstone bridge configuration for evaluation of plasmonic energy transfer

We propose an internal (on-chip) Wheatstone bridge configuration to evaluate the efficiency of near-field transducers (NFT) as used in heat-assisted magnetic recording (HAMR). The electric field enhancement between the transducer and the image plane is monitored by measuring the resistance of metal electrodes composing the image plane. The absorption of the enhanced electric field causes an increase in the metal temperature, and thereby, in its resistance whose variation is monitored with an internal Wheatstone bridge which is accurately balanced in the absence of the electric field

Thermal and electrical conductivity of iron at Earth's core conditions

The Earth acts as a gigantic heat engine driven by decay of radiogenic isotopes and slow cooling, which gives rise to plate tectonics, volcanoes, and mountain building. Another key product is the geomagnetic field, generated in the liquid iron core by a dynamo running on heat released by cooling and freezing to grow the solid inner core, and on chemical convection due to light elements expelled from the liquid on freezing. The power supplied to the geodynamo, measured by the heat-flux across the core-mantle boundary (CMB), places constraints on Earth's evolution. Estimates of CMB heat-flux depend on properties of iron mixtures under the extreme pressure and temperature conditions in the core, most critically on the thermal and electrical conductivities. These quantities remain poorly known because of inherent difficulties in experimentation and theory. Here we use density functional theory to compute these conductivities in liquid iron mixtures at core conditions from first principles- the first directly computed values that do not rely on estimates based on extrapolations. The mixtures of Fe, O, S, and Si are taken from earlier work and fit the seismologically-determined core density and inner-core boundary density jump. We find both conductivities to be 2-3 times higher than estimates in current use. The changes are so large that core thermal histories and power requirements must be reassessed. New estimates of adiabatic heat-flux give 15-16 TW at the CMB, higher than present estimates of CMB heat-flux based on mantle convection; the top of the core must be thermally stratified and any convection in the upper core driven by chemical convection against the adverse thermal buoyancy or lateral variations in CMB heat flow. Power for the geodynamo is greatly restricted and future models of mantle evolution must incorporate a high CMB heat-flux and explain recent formation of the inner core.Comment: 11 pages including supplementary information, two figures. Scheduled to appear in Nature, April 201

FeO Content of Earth’s Liquid Core

The standard model of Earth’s core evolution has the bulk composition set at formation, with slow cooling beneath a solid mantle providing power for geomagnetic field generation. However, controversy surrounding the incorporation of oxygen, a critical light element, and the rapid cooling rates needed to maintain the early dynamo have called this model into question. The predicted cooling rates imply early core temperatures that far exceed estimates of the lower mantle solidus, suggesting that early core evolution was governed by interaction with a molten lower mantle. Here we develop ab initio techniques to compute the chemical potentials of arbitrary solutes in solution and use them to calculate oxygen partitioning between liquid Fe-O metal and silicate melts at the pressure-temperature (P-T) conditions expected for the early core-mantle system. Our distribution coefficients are compatible with those obtained by extrapolating experimental data at lower P-T values and reveal that oxygen strongly partitions into metal at core conditions via an exothermic reaction. Our results suggest that the bulk of Earth’s core was undersaturated in oxygen compared to the FeO content of the magma ocean during the latter stages of its formation, implying the early creation of a stably stratified oxygen-enriched layer below the core-mantle boundary (CMB). FeO partitioning is accompanied by heat release due to the exothermic reaction. If the reaction occurred at the CMB, this heat sink could have significantly reduced the heat flow driving the core convection and magnetic field generation

Can the Earth's dynamo run on heat alone?

The power required to drive the geodynamo places significant constraints on the heat passing across the core-mantle boundary and the Earth's thermal history. Calculations to date have been limited by inaccuracies in the properties of liquid iron mixtures at core pressures and temperatures. Here we re-examine the problem of core energetics in the light of new first-principles calculations for the properties of liquid iron. There is disagreement on the fate of gravitational energy released by contraction on cooling. We show that only a small fraction of this energy, that associated with heating resulting from changes in pressure, is available to drive convection and the dynamo. This leaves two very simple equations in the cooling rate and radioactive heating, one yielding the heat flux out of the core and the other the entropy gain of electrical and thermal dissipation, the two main dissipative processes. This paper is restricted to thermal convection in a pure iron core; compositional convection in a liquid iron mixture is considered in a companion paper. We show that heat sources alone are unlikely to be adequate to power the geodynamo because they require a rapid secular cooling rate, which implies a very young inner core, or a combination of cooling and substantial radioactive heating, which requires a very large heat flux across the core-mantle boundary. A simple calculation with no inner core shows even higher heat fluxes are required in the absence of latent heat before the inner core formed

A multiphase seismic investigation of the shallow subduction zone, southern North Island, New Zealand

The shallow structure of the Hikurangi margin, in particular the interface between the Australian Plate and the subducting Pacific Plate, is investigated using the traveltimes of direct and converted seismic phases from local earthquakes. Mode conversions take place as upgoing energy from earthquakes in the subducted slab crosses the plate interface. These PS and SP converted arrivals are observed as intermediate phases between the direct P and S waves. They place an additional constraint on the depth of the interface and enable the topography of the subducted plate to be mapped across the region. 301 suitable earthquakes were recorded by the Leeds (Tararua) broad-band seismic array, a temporary line of three-component short-period stations, and the permanent stations of the New Zealand national network. This provided coverage across the land area of southern North Island, New Zealand, at a total of 17 stations. Rays are traced through a structure parametrized using layered B-splines and the traveltime residuals inverted, simultaneously, for hypocentre relocation, interface depth and seismic velocity. The results are consistent with sediment in the northeast of the study region and gentle topography on the subducting plate. This study and recent tectonic reconstructions of the southwest Pacific suggest that the subducting plate consists of captured, oceanic crust. The anomalous nature of this crust partly accounts for the unusual features of the Hikurangi margin, e.g. the shallow trench, in comparison with the subducting margin further north