Theoretical design of diamondlike superhard structures at high pressure

Diamond, as the hardest known material, has been widely used in industrial applications as abrasives, coatings, and cutting and polishing tools, but it is restricted by several shortcomings, e.g., its low thermal and chemical stability. Considerable efforts have been devoted to designing or synthesizing the diamond-like B-C-N-O compounds, which exhibit excellent mechanical property. In this paper, we review the recent theoretical design of diamond-like superhard structures at high pressure. In particular, the recently designed high symmetric phase of low-energy cubic BC3 meets the experimental observation, and clarifies the actual existence of cubic symmetric phase for the compounds formed by B-C-N-O system,besides the classical example of cubic boron nitride.

Characteristics and Genetic Mechanisms of Overpressure in the Depressions of Bohai Bay Basin, China

The distribution and genetic mechanisms of abnormal pressures in the Bohai Bay Basin were systematically analyzed. Abnormal pressures are widely developed in the Bohai Bay Basin, primarily in the Paleogene E2s4, E2s3, Es1, and Ed formations. From the onshore area of the Bohai Bay Basin to the center of the Bozhong area, the top depth of the overpressured zone in each depression increases gradually, the overpressured strata in each depression gradually move to younger formations, and the pressure structure successively alters from single-bottom- overpressure to double-bottom-overpressure and finally to double-top-overpressure. The distribution of overpressured area is consistent with the sedimentary migration controlled by the tectonic evolution of the Bohai Bay Basin, which is closely related to the hydrocarbon-generation capability of active source rocks. The overpressured strata are consistent with the source-rock intervals in each depression; the top of the overpressured zone is synchronous with the hydrocarbon generation threshold in each depression; the hydrocarbon generation capability is positively correlated with the overpressure magnitude in each formation. Undercompaction was the main mechanism of overpressure for depressions with fluid pressure coefficients less than 1.2, whereas hydrocarbon generation was the main mechanism for depressions with fluid pressure coefficients greater than 1.5.

STRUCTURE PARAMETERS DESIGN AND PERFORMANCE TEST OF FUEL INJECTION SYSTEM

Based on the numerical simulation analysis, structure parameters of the high pressure fuel pump and common rail as well as flow limiter are designed and the GD-1 high pressure common rail fuel injection system is self-developed. Fuel injection characteristics experiment is performed on the GD-1 system. And double-factor variance analysis is applied to investigate the influence of the rail pressure and injection pulse width on the consistency of fuel injection quantity, thus to test whether the design of structure parameters is sound accordingly. The results of experiment and test show that rail pressure and injection pulse width as well as their mutual-effect have no influence on the injection quantity consistency, which proves that the structure parameters design is successful and performance of GD-1 system is sound.

Electronic and optical properties of lithium niobate under high pressure: A first-principles study

We theoretically study the structural, electronic, and optical properties of lithium niobate under pressure using the plane-wave pseudopotential density functional theory by CASTEP code. It was found that there is a phase transition from the R3 c structure to the Pnma structure at a pressure of 18.7 GPa. The Pnma structure was dynamically stable according to the calculation of phonon dispersion. From the charge density distributions, there exist covalent interactions along the Nb–O bond. The hybridization between O 2p and Nb 4d orbital in the Pnma phase increases with increasing pressure, while it is not changed in the R3c phase. With increasing pressure, the average Nb–O bond length decreases and the Nb–O bond population increases, indicating the increased covalent character between Nb and O atoms under high pressure at Pnma phase, which leads to the increased hybridization between O 2p and Nb 4d orbitals. Furthermore, the optical dielectric function, refractive index, extinction coefficient, electron energy, loss and reflectivity are calculated.

Structural stability at high pressure, electronic, and magnetic properties of BaFZnAs：A new candidate of host material of diluted magnetic semiconductors

The layered semiconductor BaFZnAs with the tetragonal ZrCuSiAs-type structure has been successfully synthesized.Both the in-situ high-pressure synchrotron x-ray diffraction and the high-pressure Raman scattering measurements demonstrate that the structure of BaFZnAs is stable under pressure up to 17.5 GPa at room temperature. The resistivity and the magnetic susceptibility data show that BaFZnAs is a non-magnetic semiconductor. BaFZnAs is recommended as a candidate of the host material of diluted magnetic semiconductor.

LaB6 Work Function and Structural Stability under High Pressure

The work functions of the （110） and （10（3） surfaces of LaB6 are determined from ambient pressure to 39.1 GPa. The work function of the （110） surface slowly decreases but that of the （100） surface remains at a relatively constant value. To determine the reason for this difference, the electron density distribution （EDD） is determined from high-pressure single-crystal x-ray diffraction data by the maximum entropy method. The EDD results show that the chemical bond properties in LaB6 play a key role also investigated by single-crystal x-ray diffraction. In observed from ambient pressure to 39.1 GPa. The structural stability of LaB6 under high pressure is this study, no structural or electronic phase transition is

Wind tunnel simulation of wind loading on a solid structure of revolution

The wind tunnel simulations of wind loading on a solid structure of revolution with one smooth and five rough surfaces were conducted using wind tunnel tests. Timemean and fluctuating pressure distributions on the surface were obtained, and the relationships between the roughness Reynolds number and pressure distributions were analyzed and discussed. The results show that increasing the surface roughness can significantly affect the pressure distribution, and the roughness Reynolds numbers play an important role in the change of flow patterns. The three flow patterns of subcritical, critical and supercritical flows can be classified based on the changing patterns of both the mean and the fluctuating pressure distributions. The present study suggests that the wind tunnel results obtained in the supercritical pattern reflect more closely those of full-scale solid structure of revolution at the designed wind speed.

Structural Phase Transitions of ZnTe under High Pressure Using Experiments and Calculations

The pressure-induced structural transitions of ZnTe are investigated at pressures up to 59.2 GPa in a diamond anvil cell by using synchrotron powder x-ray diffraction method. A phase transition from the initial zinc blende （ZB, ZnTe-Ⅰ） structure to a cinnabar phase （ZnTe-Ⅱ） is observed at 9.6 GPa, followed by a high pressure orthorhombic phase （ZnTe-Ⅲ） with Cmcm symmetry at 12.1 GPa. The ZB, cinnabar （space group P3121）, Cmcm, P31 and rock salt structures of ZnTe are investigated by using density functional theory calculations. Based on the experiments and calculations, the ZnTe-Ⅱ phase is determined to have a cinnabar structure rather than a P3 1 symmetry.

Producing ultra-high-speed nitrogen jets by arc heating in a low-pressure chamber

Pure nitrogen gas was heated with direct current arc, at input powers from several hundred Watt to over 5 kW, and then injected through a nozzle into a chamber at 1 or 10 Pa pressure, with the purpose of accelerating the gas to very high speed around 7 km/s. Various structures of the arc generator and gas expansion nozzle were examined. Results show that bypass exhausting of the boundary layer before it enters the nozzle divergent section can greatly increase flow speed of the jet, thus it might be possible to use nitrogen as a working gas in high speed gas dynamic test facilities.

Nondestructive measurement of thermal contact resistance for the power vertical double-diffused metal-oxide-semiconductor

To obtain thermal contact resistance（TCR） between the vertical double-diffused metal-oxide-semiconductor（VDMOS） and the heat sink, we derived the relationship between the total thermal resistance and the contact force imposed on the VDMOS. The total thermal resistance from the chip to the heat sink is measured under different contact forces, and the TCR can be extracted nondestructively from the derived relationship. Finally, the experimental results are compared with the simulation results.

High-Pressure Experimental Studies on Geo-Liquids Using Synchrotron Radiation at the Advanced Photon Source

We review recent progress in studying silicate, carbonate, and metallic liquids of geological and geophysical importance at high pressure and temperature, using the large-volume high-pressure devices at the third-generation synchrotron facility of the Advanced Photon Source, Argonne National Laboratory. These integrated high-pressure facilities now offer a unique combination of experimental techniques that allow researchers to investigate structure, density, elasticity, viscosity, and interfacial tension of geo-liquids under high pressure, in a coordinated and systematic fashion. Experimental techniques are described, along with scientific highlights. Future developments are also discussed.

High-pressure scheelite-type polymorph of SmCrO_4: synthesis, structural characterization and magnetic properties

The new scheelite form of SmCrO4 oxide was obtained by heating the zircon-type SmCrO4 oxide at 4 GPa and 803 K. X-ray diffraction revealed that this scheelite SmCrO4 phase crystallized with tetragonal symmetry, S.G. I41/a and lattice parameters: a=0.50776(3) nm and c=1.15606(2) nm. This structural phase transition from zircon to scheelite involved a decreasing of around 10% in the unit cell volume. Although the Cr-O and Sm-O distances did not change very much in both zircon and scheelite polymorphs, the changes occurred in the bond angles were remarkable that appear to support the proposed reconstructive model to explain this structural zircon-scheelite phase transition. Magnetic susceptibility and magnetization measurements revealed that the scheelite SmCrO4 oxide behaved an antiferromagnetic material, where the Sm3+ and Cr5+ were simultaneously ordered. The estimated Néel temperature, TN, was 16 K and the critical field at 12 K associated with the metamagnetic transition was 3.2 T.