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DOE OSTI2018

A hybrid origin of the Martian crustal dichotomy: Degree-1 convection antipodal to a giant impact

The Martian crustal dichotomy is the stark ~5 km difference in surface elevation and ~26 km difference in crustal thickness between the northern lowlands and southern highlands that originated within 100s of Myr of Mars’ formation. The origin of the dichotomy has broad implications for the geodynamic history of Mars, but purely exogenic or endogenic theories so far cannot explain all of the large scale geophysical observations associated with dichotomy formation. A giant impact can produce the shape and slope of the dichotomy boundary, but struggles to explain Mars’ remanent crustal magnetic signatures and the ultimate formation of Tharsis. Degree-1 mantle convection can relate the crustal dichotomy to the formation of Tharsis, but does not explain the elliptical dichotomy shape and must be initiated by a large pre-existing viscosity jump in the mantle. We propose a hybrid model of dichotomy formation in which a giant impact induces degree-1 convection with an upwelling antipodal to the impact site. In this scenario, a giant impact in the northern hemisphere excavates crust, creating an initial difference in crustal thickness and possibly composition between the two hemispheres. Over 10s to 100s of Myr, the dominant upwelling(s) would migrate to be under the thicker, insulating crust in the southern hemisphere, generating melt that further thickens the southern crust. We examine this process using 3-D mantle convection simulations, and find that a hemispherical difference in crustal thickness and composition caused by a giant impact can induce degree-1 convection with the upwelling(s) antipodal to the impact site in <100 Myr.

58 GEOSCIENCES↗

DOE OSTI2016

Political efficacy and familiarity as predictors of attitudes towards electric transmission lines in the United States

Public opposition to the construction (i.e., siting) of new high voltage overhead transmission lines is not a new or isolated phenomenon. Past research has posited a variety of reasons, applied general theories, and has provided empirical evidence to explain public opposition. The existing literature, while clarifying many elements of the issue, does not yet fully explain the complexities underlying this public opposition phenomenon. As a result, the current study demonstrated how two overlooked factors, people’s sense of political efficacy and their familiarity (i.e., prior exposure) with transmission lines, explained attitudes of support and opposition to siting new power lines.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Supply sunspots and shadows: Business siting patterns and inequitable rooftop solar adoption in the United States

Entrepreneurs in certain industries tend to locate new businesses in relatively affluent areas. Preferences to site businesses in affluent areas can reduce low-income household access to certain products. Some argue that business siting patterns could explain inequitable consumption patterns, though such causal claims are often empirically weak. Here, we explore whether business siting patterns partly explain inequitable adoption of rooftop solar photovoltaics in California. We show that solar business formation drives an immediate and sustained increase in local solar adoption, including in low-income areas. However, solar business siting patterns have only weak impacts on solar adoption equity. The data show how solar businesses headquartered in low-income areas nonetheless install solar for relatively affluent customers. Customer-level adoption inequity partly offsets the potential equity gains of siting more businesses in low-income areas. We discuss how the emergent nature and unique business model of rooftop solar help explain these nuanced results.

14 SOLAR ENERGY↗

DOE OSTI2019

The relative influence of climate and housing development on current and projected future fire patterns and structure loss across three California landscapes

Climate and land use patterns are expected to change dramatically in the coming century, raising concern about their effects on wildfire patterns and subsequent impacts to human communities. The relative influence of climate versus land use on fires and their impacts, however, remains unclear, particularly given the substantial geographical variability in fire-prone places like California. Here, we developed a modeling framework to compare the importance of climatic and human variables for explaining fire patterns and structure loss for three diverse California landscapes, then projected future large fire and structure loss probability under two different climate (hot-dry or warm-wet) and two different land use (rural or urban residential growth) scenarios. The relative importance of climate and housing pattern varied across regions and according to fire size or whether the model was for large fires or structure loss. The differing strengths of these relationships, in addition to differences in the nature and magnitude of projected climate or land use change, dictated the extent to which large fires or structure loss were projected to change in the future. Despite this variability, housing and human infrastructure were consistently more responsible for explaining fire ignitions and structure loss probability, whereas climate, topography, and fuel variables were more important for explaining large fire patterns. For all study areas, most structure loss occurred in areas with low housing density (from 0.08 to 2.01 units/ha), and expansion of rural residential land use increased structure loss probability in the future. Regardless of future climate scenario, large fire probability was only projected to increase in the northern and interior parts of the state, whereas climate change had no projected impact on fire probability in southern California. Given the variation in fire-climate relationships and land use effects, policy and management decision-making should be customized for specific geographical regions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Design Tool for Estimating Chemical Hydrogen Storage System Characteristics for Light-Duty Fuel Cell Vehicles

The U.S. Department of Energy (DOE) has developed a vehicle framework model to simulate fuel cell-based light-duty vehicle operation for various hydrogen storage systems. This transient model simulates the performance of the storage system, fuel cell, and vehicle for comparison to DOE’s Technical Targets using four drive cycles/profiles. Chemical hydrogen storage models have been developed for the Framework model for both exothermic and endothermic materials. Despite the utility of such models, they require that material researchers input system design specifications that cannot be easily estimated. To address this challenge, a design tool has been developed that allows researchers to directly enter kinetic and thermodynamic chemical hydrogen storage material properties into a simple sizing module that then estimates the systems parameters required to run the storage system model. Additionally, this design tool can be used as a standalone executable file to estimate the storage system mass and volume outside of the framework model and compare it to the DOE Technical Targets. These models will be explained and exercised with existing hydrogen storage materials.

hydrogen storage materials, Fuel Cell Vehicles, de↗

DOE OSTI2021

Multi-cyclone analysis and machine learning model implications of cyclone effects on forests

Past studies of cyclones (hurricanes, typhoons, tropical cyclones) disturbance showed that meteorological, topographical, and biological factors affect the patterns of forest disturbance intensity but left open the extent to which these findings were representative across different global cyclone regions. Using remote sensing data and machine learning models, we examined how these factors change over spatial scales and assessed their consistency across four major cyclones: Katrina (August 2005), Rita (September 2005), Yasi (February 2011), and María (September 2017). Our results revealed that the factors which best explained forest disturbance intensity pattern varied across these regions. Wind speed and precipitation were the dominant factors contributing to the variation in impacts of Katrina; terrain features, especially elevation, explained most of the variation in disturbance intensity of Rita; pre-disturbance vegetation condition was significant predictors of effects of Yasi; these factors played equal roles in explaining the disturbance intensity variation of María. A 40 m/s (144 km/h) wind speed threshold was proposed to split low- and high-level forest disturbance intensity. Other than wind speed, few generalizations can be made on features across multiple regions. We built several generalized hurricane impact models, which worked well with the test data from cyclones used for model development (R 2 = 0.89). However, these models did not have good predictions on other cyclones, such as Michael (October 2018) and Laura (August 2020). This study showed that each cyclone interacted with the landscape in a unique way and the challenges remained in building a generalized cyclone impact model.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Multiphysics modeling of two-phase film boiling within porous corrosion deposits

Porous corrosion deposits on nuclear fuel cladding, known as CRUD, can cause multiple operational problems in light water reactors (LWRs). CRUD can cause accelerated corrosion of the fuel cladding, increase radiation fields and hence greater exposure risk to plant workers once activated, and induce a downward axial power shift causing an imbalance in core power distribution. In order to facilitate a better understanding of CRUD's effects, such as localized high cladding surface temperatures related to accelerated corrosion rates, we describe an improved, fully-coupled, multiphysics model to simulate heat transfer, chemical reactions and transport, and two-phase fluid flow within these deposits. Our new model features a reformed assumption of 2D, two-phase film boiling within the CRUD, correcting earlier models' assumptions of single-phase coolant flow with wick boiling under high heat fluxes. This model helps to better explain observed experimental values of the effective CRUD thermal conductivity. Finally, we propose a more complete set of boiling regimes, or a more detailed mechanism, to explain recent CRUD deposition experiments by suggesting the new concept of double dryout specifically in thick porous media with boiling chimneys. - Highlights: • A two-phase model of CRUD's effects on fuel cladding is developed and improved. • This model eliminates the formerly erroneous assumption of wick boiling. • Higher fuel cladding temperatures are predicted when accounting for two-phase flow. • Double-peaks in thermal conductivity vs. heat flux in experiments are explained. • A “double dryout” mechanism in CRUD is proposed based on the model and experiments.

42 ENGINEERING↗

DOE OSTI2017

An automated analysis workflow for optimization of force-field parameters using neutron scattering data

Graphical abstract: - Highlights: • An automated workflow to optimize force-field parameters. • Used the workflow to optimize force-field parameter for a system containing nanodiamond and tRNA. • The mechanism relies on molecular dynamics simulation and neutron scattering experimental data. • The workflow can be generalized to any other experimental and simulation techniques. - Abstract: Large-scale simulations and data analysis are often required to explain neutron scattering experiments to establish a connection between the fundamental physics at the nanoscale and data probed by neutrons. However, to perform simulations at experimental conditions it is critical to use correct force-field (FF) parameters which are unfortunately not available for most complex experimental systems. In this work, we have developed a workflow optimization technique to provide optimized FF parameters by comparing molecular dynamics (MD) to neutron scattering data. We describe the workflow in detail by using an example system consisting of tRNA and hydrophilic nanodiamonds in a deuterated water (D{sub 2}O) environment. Quasi-elastic neutron scattering (QENS) data show a faster motion of the tRNA in the presence of nanodiamond than without the ND. To compare the QENS and MD results quantitatively, a proper choice of FF parameters is necessary. We use an efficient workflow to optimize the FF parameters between the hydrophilic nanodiamond and water by comparing to the QENS data. Our results show that we can obtain accurate FF parameters by using this technique. The workflow can be generalized to other types of neutron data for FF optimization, such as vibrational spectroscopy and spin echo.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2012

Alpha self-irradiation effect on the local structure of the U{sub 0.85}Am{sub 0.15}O{sub 2{+-}x} solid solution

Uranium-americium mixed oxides are promising fuels for achieving an efficient Am recycling. Previous studies on U{sub 0.85}Am{sub 0.15}O{sub 2{+-}x} materials showed that the high {alpha} activity of {sup 241}Am induces pellet swelling which is a major issue for cladding materials design. In this context, X-ray Diffraction and X-ray Absorption Spectroscopy measurements were used to study self-irradiation effects on U{sub 0.85}Am{sub 0.15}O{sub 2{+-}x} local structure and to correlate these results with those obtained at the macroscopic scale. For a cumulative {alpha} decay dose equal to 0.28 dpa, it was shown that non-defective fluorite solid solutions were achieved and therefore, that the fluorite structure is stable for the studied doses. In addition, both interatomic distance and lattice parameter expansions were observed, which only partially explains the macroscopic swelling. As expected, an increase of the structural disorder with self-irradiation was also observed. - Graphical abstract: X-ray Diffraction and X-ray Absorption Spectroscopy measurements were performed on U{sub 0.85}Am{sub 0.15}O{sub 2{+-}x}, exhibiting various cumulative {alpha} decay doses, in order to study self-irradiation effects on local structure and to correlate these results with those obtained at the macroscopic scale. Thus, it was shown that the fluorite structure is stable for the studied doses. In addition, both interatomic distance and lattice parameter expansions were observed, explaining partially the macroscopic swelling. Highlights: Black-Right-Pointing-Pointer Non-defective fluorite U{sub 0.85}Am{sub 0.15}O{sub 2{+-}x} solid solutions were achieved. Black-Right-Pointing-Pointer The fluorite structure is stable for the studied doses. Black-Right-Pointing-Pointer A lattice parameter increase was observed, which partially explains the macroscopic swelling. Black-Right-Pointing-Pointer The increase of the structural disorder can be understood from the ballistic effect associated to the Am high alpha activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Multiple nonlinear dielectric resonance of ultra-long silver trimolybdate nanowires

The silver molybdate nanowires (NWs) have been synthesized and characterized. The multiple dielectric resonant peaks of the nanocomposites filled with silver molybdate nanowires have been studied from 2 to 18 GHz. The as-established equivalent circuit model of the silver molybdate nanowires were employed to explain the nonlinear dielectric resonant behavior. - Graphical abstract: The ultra-long silver trimolybdate nanowires were synthesized and the dielectric peoperties of the products were studied from 2 to 18 GHz. The as-established equivalent circuit model of the silver molybdate nanowires were employed to explain the nonlinear dielectric resonant behavior. Highlights: • The silver molybdate nanowires have been synthesized and characterized. • The dielectric properties of the silver molybdate/ paraffin nanocomposites have been studied. • Higher concentration of silver trimolybdate enhances the dielectric properties of composite. • The dielectric behaviors were explained based on the as-established equivalent circuit mode.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Synthesis and characterization of hollow mesoporous BaFe{sub 12}O{sub 19} spheres

A facile method is reported to synthesize hollow mesoporous BaFe{sub 12}O{sub 19} spheres using a template-free chemical etching process. Hollow BaFe{sub 12}O{sub 19} spheres were synthesized by conventional spray pyrolysis. The mesoporous structure is achieved by alkaline ethylene glycol etching at 185 °C, with the porosity controlled by the heating time. The hollow porous structure is confirmed by SEM, TEM, and FIB-FESEM characterization. The crystal structure and magnetic properties are not significantly affected after the chemical etching process. The formation mechanism of the porous structure is explained by grain boundary etching. - Graphical abstract: Hollow spherical BaFe{sub 12}O{sub 19} particles are polycrystalline with both grains and grain boundaries. Grain boundaries have less ordered structure and lower stability. When the particles are exposed to high temperature alkaline ethylene glycol, the grain boundaries are etched, leaving small grooves between grains. These grooves allow ethylene glycol to diffuse inside to further etch the grains. As the grain size decreases, gaps appear on the particle surfaces, and a porous structure is finally formed. - Highlights: • Two-step synthesis method for hollow mesoporous BaFe{sub 12}O{sub 19} spheres is proposed. • Porosity of the product can be regulated by controlling the second step of chemical etching. • The crystal structure and magnetic properties are examined to be little affected during the chemical etching. • The mesoporous structure formation mechanism is explained by grain boundary etching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property

To systematically explore the influence of inorganic anions on building coordination complexes, five novel complexes based on 1-(benzotriazole-1-methyl)−2-propylimidazole (bpmi), [Cu(bpmi){sub 2}(Ac){sub 2}]·H{sub 2}O (1), [Cu(bpmi){sub 2}(H{sub 2}O){sub 2}]·2NO{sub 3}·2H{sub 2}O (2), [Cu(bpmi)(N{sub 3}){sub 2}] (3), [Ag(bpmi)(NO{sub 3})] (4) and [Cu{sub 3}(bpmi){sub 2}(SCN){sub 4}(DMF)] (5) (Ac{sup −}=CH{sub 3}COO{sup −}, DMF=N,N-Dimethylformamide) are synthesized through rationally introducing Cu(II) salts and Ag(I) salt with different inorganic anions. X-ray single-crystal analyses reveal that these complexes show interesting structural features from mononuclear (1), one-dimensional (2 and 3), two-dimensional (4) to three-dimensional (5) under the influence of inorganic anions with different basicities. The structural variation can be explained by the hard-soft-acid-base (HSAB) theory. Magnetic susceptibility measurement indicates that complex 3 exhibits an antiferromagnetic coupling between adjacent Cu(II) ions. - Graphical abstract: Five new Cu(II)/Ag(I) complexes show interesting structural features from mononuclear, one-dimension, two-dimension to three-dimension under the influence of inorganic anions. The structural variation can be explained by the HSAB theory. - Highlights: • Five inorganic anion-dependent complexes are synthesized. • Structural variation can be explained by the hard-soft-acid-base (HSAB) theory. • The magnetic property of complex has been studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Microstructure of selective laser melted nickel–titanium

In selective laser melting, the layer-wise local melting of metallic powder by means of a scanning focused laser beam leads to anisotropic microstructures, which reflect the pathway of the laser beam. We studied the impact of laser power, scanning speed, and laser path onto the microstructure of NiTi cylinders. Here, we varied the laser power from 56 to 100 W and the scanning speed from about 100 to 300 mm/s. In increasing the laser power, the grain width and length increased from (33 ± 7) to (90 ± 15) μm and from (60 ± 20) to (600 ± 200) μm, respectively. Also, the grain size distribution changed from uni- to bimodal. Ostwald-ripening of the crystallites explains the distinct bimodal size distributions. Decreasing the scanning speed did not alter the microstructure but led to increased phase transformation temperatures of up to 40 K. This was experimentally determined using differential scanning calorimetry and explained as a result of preferential nickel evaporation during the fabrication process. During selective laser melting of the NiTi shape memory alloy, the control of scanning speed allows restricted changes of the transformation temperatures, whereas controlling the laser power and scanning path enables us to tailor the microstructure, i.e. the crystallite shapes and arrangement, the extent of the preferred crystallographic orientation and the grain size distribution. - Highlights: • Higher laser powers during selective laser melting of NiTi lead to larger grains. • Selective laser melting of NiTi gives rise to preferred <111> orientation. • The observed Ni/Ti ratio depends on the exposure time. • Ostwald ripening explains the bimodal grain size distribution.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Magnetic properties of nanocrystalline ε-Fe{sub 3}N and Co{sub 4}N phases synthesized by newer precursor route

Graphical abstract: Nanocrystalline ε-Fe{sub 3}N and Co{sub 4}N nitride phases are synthesized first time by newer chemical routes. The ε-Fe{sub 3}N phase crystallizes in hexagonal structure with unit cell parameters, a = 4.76 Å and c = 4.41 Å. The Co{sub 4}N phase crystallizes in face centred cubic (fcc) structure with unit cell parameters, a = 3.55 Å. The estimated crystallite size for ε-Fe{sub 3}N and Co{sub 4}N phases are 29 nm and 22 nm, respectively. The values of saturation magnetization for ε-Fe{sub 3}N and Co{sub 4}N phases are found to be 28.1 emu/g and 123.6 emu/g respectively. The reduction of magnetic moments in ultrafine materials compared to bulk materials has been explained by fine particle size and surface effects. We have synthesized the high moment ε-Fe{sub 3}N and Co{sub 4}N nitride with reduced coercivity which may find applications as soft magnetic materials. - Highlights: • Nanocrystalline ε-Fe{sub 3}N and Co{sub 4}N nitride phases are synthesized. • The ε-Fe{sub 3}N and Co{sub 4}N crystallizes in hexagonal and fcc structure respectively. • The observed magnetic parameters indicate soft magnetic properties. • The magnetic properties have been explained on the basis of fine particle magnetism. - Abstract: Nanocrystalline ε-Fe{sub 3}N and Co{sub 4}N nitride phases are synthesized first time by using tris(1,2-diaminoethane)iron(II) chloride and tris(1,2-diaminoethane)cobalt(III) chloride precursors, respectively. To prepare ε-Fe{sub 3}N and Co{sub 4}N nitride phases, the synthesized precursors were mixed with urea in 1:12 ratio and heat treated at various temperatures in the range of 450–900 °C under the ultrapure nitrogen gas atmosphere. The precursors are confirmed by FT-IR study. The ε-Fe{sub 3}N phase crystallizes in hexagonal structure with unit cell parameters, a = 4.76 Å and c = 4.41 Å. The Co{sub 4}N phase crystallizes in face centred cubic (fcc) structure with unit cell parameters, a = 3.55 Å. The estimated crystallite size for ε-Fe{sub 3}N and Co{sub 4}N phases are 29 nm and 22 nm, respectively. The scanning electron microscopy (SEM) studies confirm the nanocrystalline nature of the materials. The values of saturation magnetization for ε-Fe{sub 3}N and Co{sub 4}N phases are found to be 28.1 emu/g and 123.6 emu/g, respectively. The reduction of magnetic moments in ultrafine materials compared to bulk materials have been explained by spin pairing effect, lattice expansion, superparamagnetic behaviour and canted spin structures at the surface of the particles.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Effect of sintering temperature on structural, magnetic and electrical transport properties of La0.67Ca0.33MnO3 ceramics prepared by Plasma Activated Sintering

Highlights: • La{sub 0.67}Ca{sub 0.33}MnO{sub 3} were prepared by using Plasma Activated Sintering technology. • Detailed studies of sintering temperature effect on structural, magnetic and electrical transport behaviors were investigated. • The observed behaviors have been explained by oxygen vacancy effect in combination with grain size effect. - Abstract: La{sub 0.67}Ca{sub 0.33}MnO{sub 3} (LCMO) ceramics were prepared by Plasma Activated Sintering (PAS). The effect of sintering temperature on structural, magnetic and electrical transport properties of the LCMO ceramics were investigated. XRD and SEM characterizations of the LCMO ceramics indicated that all samples exhibited single orthorhombic phase. Also, through PAS dense LCMO ceramics were obtained. Certain interesting phenomena were observed from the PAS sintering temperature effect on the magnetic and transport behaviors of LCMO ceramics, which were significantly different from traditional sintering methods The magnetization decreased and the resistivity increased as the sintering temperature increased, whereas the T{sub C} and T{sub IM} shifted towards the lower temperature side. The conduction mechanism of all samples was electron-magnon scattering process in the ferromagnetic low-temperature region, while the paramagnetic high-temperature region mechanism was explained with the variable range hopping (VRH) model. All these behaviors were explained through the oxygen vacancy effect in combination with the grain size effect.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Synthesis and effect of Ba2+ ions on the dielectric properties of the layered-perovskite KSr2NaNb4O13 ceramics

Highlights: • 25 mol% excess K{sub 2}O was added to densify the pure K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} ceramic at 1275 °C. • K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} ceramic has an increased ε{sub r} compared with that of KSr{sub 2}Nb{sub 3}O{sub 10} ceramic. • K(Sr{sub 0.8}Ba{sub 0.2}){sub 2}NaNb{sub 4}O{sub 13} ceramic has a highest ε{sub r} of 67.4 with a small tan δ of 0.14. • Large ε{sub r} is explained by the increased dipole moment and NbO{sub 6} octahedron distortion. - Abstract: The 25 mol% K{sub 2}O-added K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} ceramic sintered at 1275 °C exhibited a pure and dense K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} phase, which had four octahedral layers. Synthesis of a pure K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} ceramic was not possible without excess K{sub 2}O, due to the formation of a Na-deficient K(Sr{sub 2}Na{sub 2})Nb{sub 5}O{sub 16} secondary phase, because of K{sub 2}O evaporation during sintering. The dielectric constant (ε{sub r}) of the K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} ceramic was 43.8 at 100 kHz, two times higher compared to the KSr{sub 2}Nb{sub 3}O{sub 10} ceramic, which has three octahedral layers. The increased ε{sub r} can be explained by the increased number of octahedral layers. Some of the Sr{sup 2+} ions in K(Sr{sub 2}Na)Nb{sub 4}O{sub 13} ceramic were replaced by Ba{sup 2+} ions, which have high ionic polarizability, to further increase ε{sub r}. The 25 mol% K{sub 2}O-excess K(Sr{sub 0.8}Ba{sub 0.2}){sub 2}NaNb{sub 4}O{sub 13} ceramic sintered at 1250 °C showed a high ε{sub r} of 67.4 at 100 kHz, which can be explained by the increased dipole moments and distortion of the NbO{sub 6} octahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Structural, magnetic and impedance spectroscopy analysis of (0.7)CoFe2O4+(0.3)BaTiO3 magnetoelectric composite

Highlights: • Successfully synthesized (0.7)CoFe{sub 2}O{sub 4}+(0.3)BaTiO{sub 3} composite by ball-milling method. • Structural properties confirmed the presence of both constituent phases. • Dielectric properties showed high value of permittivity and diminished dielectric loss at higher frequency. • Electric response of the constituent phases explained the observed relaxation processes. • Small polaron hopping mechanism governed the conduction mechanism. - Abstract: Magnetoelectric composite of particular composition (0.7)CoFe{sub 2}O{sub 4}+(0.3)BaTiO{sub 3} was synthesized by ball-milling method. X-ray diffraction pattern confirmed the presence of cubic spinel phase for CoFe{sub 2}O{sub 4} and the coexistence of tetragonal phase along with a small fraction of hexagonal phase for BaTiO{sub 3} in the prepared composite. The dielectric permittivity increased with increasing temperature (298–373 K); however, it showed relatively high magnitude of permittivity (∼1100) and diminished dielectric loss (∼0.045) at higher frequency. Complex impedance and modulus plots exhibited responses of different electro-active regions which are explained on the basis of coexistence of resistive and comparatively conductive phases in the prepared composite. Small polaronic hopping model was employed to explain the n-type carrier’s mobility as a possible conduction mechanism; whereas the activation energies calculated from the conduction and relaxation processes were found to be comparable. These results indicate that electric/dielectric properties and relaxation phenomenon are associated to the same origin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Anisotropy in the deep Earth

Not provided.Seismic anisotropy has been found in many regions of the Earth's interior. Its presence in the Earth's crust has been known since the 19th century, and is due in part to the alignment of anisotropic crystals in rocks, and in part to patterns in the distribution of fractures and pores. In the upper mantle, seismic anisotropy was discovered 50 years ago, and can be attributed for the most part, to the alignment of intrinsically anisotropic olivine crystals during large scale deformation associated with convection. There is some indication for anisotropy in the transition zone, particularly in the vicinity of subducted slabs. Here we focus on the deep Earth – the lower mantle and core, where anisotropy is not yet mapped in detail, nor is there consensus on its origin. Most of the lower mantle appears largely isotropic, except in the last 200–300 km, in the D" region, where evidence for seismic anisotropy has been accumulating since the late 1980s, mostly from shear wave splitting measurements. Recently, a picture has been emerging, where strong anisotropy is associated with high shear velocities at the edges of the large low shear velocity provinces (LLSVPs) in the central Pacific and under Africa. These observations are consistent with being due to the presence of highly anisotropic MgSiO3 post-perovskite crystals, aligned during the deformation of slabs impinging on the core-mantle boundary, and upwelling flow within the LLSVPs. In this report we also discuss mineral physics aspects such as ultrahigh pressure deformation experiments, first principles calculations to obtain information about elastic properties, and derivation of dislocation activity based on bonding characteristics. Polycrystal plasticity simulations can predict anisotropy but models are still highly idealized and neglect the complex microstructure of polyphase aggregates with strong and weak components. A promising direction for future progress in understanding the origin of seismic anisotropy in the deep mantle and its relation to global mantle circulation, is to link macroscopic information from seismology and microscopic information mineral physics through geodynamics modeling. Anisotropy in the inner core was proposed 30 years ago to explain faster P wave propagation along the direction of the Earth's axis of rotation as well as anomalous splitting of core sensitive free oscillations. There is still uncertainty about the origin of this anisotropy. In particular, it is difficult to explain its strength, based on known elastic properties of iron, as it would require almost perfect alignment of iron crystals. Indeed, the strongly anomalous P travel times observed on paths from the South Sandwich Islands to Alaska may or may not be due to inner core anisotropy, and will need to be explained before consensus can be reached on the strength of anisotropy in the inner core and its origin.

58 GEOSCIENCES↗