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Showing 1 to 17 of 17 for “"rock salt"”.
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Gas permeability changes in rock salt during deformation.
… study of the changes in gas permeability which rock salt experiences during deformation is given. The laboratory tests involves gas permeability and porosity measurements coincident with hydrostatic and triaxial quasi-static, stress-rate controlled compression tests. The permeability and …
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Mechanisms of the Wurtzite to Rock Salt Phase Transitions in Galium Nitride
We studied the wurtzite to rock salt phase transition in gallium nitride ( GaN ). Using the mapping algorithm of COMSUBS we found 435 possible mechanisms for this transition. We then used FIREBALL to do density functional theory calculations and found enthalpy barrier heights for the transition …
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Investigation of thermoelectric properties of orthorhombic and rock salt SnS and SnSe from first-principles calculation
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2023-04-12 without embargo terms
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Elastic Properties of Rock Salt: Lab Measurements, Numerical and Physical Modeling, and Gulf of Mexico Well Logs and VSP
… lithology description, the elastic properties of rock salt are investigated using ultrasonic lab measurements, well logs, and a salt proximity VSP survey. In the lab, I analyzed the effects of composition, crystalline structure, pressure, and temperature on the elastic behavior of a variety of …
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An investigation into the phase stability of manganese oxide using quantum Monte Carlo and insights into materials prediction in the barium-ruthenium-sulfur phase space
… energy ordering and properties of the rock salt and zincblende structures of manganese oxide using fixed node dif- fusion Monte Carlo (DMC). Manganese oxide is a correlated, antiferromagnetic material that has proven to be challenging to model from first principles across a variety of …
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Decorating Crystallites with Atoms and Small Molecules: A First-Principles Investigation
… and insulating surfaces with rutile and rock-salt structures respectively, was investigated using van der Waals corrected-density functional theory. DFT-D3, DFT-TS, vdW-DF and its variants were employed to carry out the calculations. Surface energies and atomic displacements were computed …
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Study of Functional Complex Oxides at High Pressure-Temperature Conditions
… oxyfluoride (Li2CoO2F), a Li-rich disordered rock-salt cathode, together with other representative complex oxides studied under high pressures and temperatures. Synchrotron X-ray diffraction, Raman spectroscopy, neutron scattering, and first-principles calculations were used to probe the …
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Evaluation of the Impact of Anti-Icing Solution on Concrete Durability
Winter roadway maintenance is based on applying salt to the surface of the pavement in order to lower the freezing point and break the bond of snow and ice to improve traction and safety. Conventional winter maintenance involves applying solid salt (rock salt) to the pavement prior to and during …
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The construction, development and application of potential simulation models to the filling of carbon nanotubes by molten salts
… of carbon nanotube templates with molten salts. The resulting structures, usually rationalised in terms of known bulk crystal structures, are shown to be contained within a general set of structures classifi�ed in terms of folded sheets of in�finite squares and hexagons. A flexible model …
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Zirconium nitride contacts for cadmium telluride solar cells
… perpendicular to the surface of CdTe with a rock-salt structure and (111) texture. A 2-3 nm thick amorphous layer of ZrN was observed at the CdTe/ZrN interface. Energy dispersive spectroscopy (EDS) showed that Cd and Te were present in the amorphous layer and the Zr:N ratio was not 1, off …
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Atomic structures and properties of oxide interfaces
… When the STO terminates with a TiO₂ layer, a rock salt structured CeO layer emerges at the interface. On the other hand, with SrO termination, the stable structure contains a partially occupied anion lattice, which gives rise to lateral diffusion of oxygen anions in molecular dynamics …
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Impurities in Antiferromagnetic Transition-metal Oxides – Symmetry and Optical Transitions
… on the material considered. For example, simple rock-salt transition-metal oxides are quite different from the high temperature superconducting cuprates. A range of materials is studied here, in order to gain a greater understanding of optical transitions in highly-correlated systems. In this …
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First Principles Method for Complex Cement Structure and High Entropy Alloys
… cubic (bcc), face centered cubic (fcc), and rock-salt fcc HEAs are used to examine their chemical defect such as local lattice distortion (LLD). One part of this work is to investigate TiNbTaZrMo HEAs as a key model compare its properties with 12 bcc HEAs. In this study porosity models were …
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Aerosol Synthesis of Layered Oxide Cathodes Materials for Lithium-ion Batteries
… The particles exhibited a transformation from a rock-salt structure to a spinel phase, followed by a transition into a well-ordered layered structure upon lithiation and ordering. However, at higher synthesis temperatures, structural degradation occurred due to oxygen vacancies and lithium loss, …
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Scanning tunneling microscopy and spectroscopy study of phase transitions and topology in layered transition metal dichalcogenides
… to other topological crystalline insulators with rock-salt structure.
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Non-stoichiometry and radiation damage effects in zirconium carbide and layered carbide ceramics for nuclear fuel cladding applications
… for samples irradiated to higher doses. The rock salt structure of ZrC was retained for all samples after irradiation demonstrating that ZrC remains stable under the irradiation conditions used in this study. However, it was revealed that a redistribution of carbon environments occur within …