First-principles study of structural and electronic properties of multiferroic oxide Mn_(3)TeO_(6) under high pressure

Mn_(3)TeO_(6)(MTO) has been experimentally found to adopt a P2_(1)/In structure under high pressure,which exhibits a significantly smaller band gap compared to the atmospheric R3 phase.In this study,we systematically investigate the magnetism,structural phase transition,and electronic properties of MTO under high pressure through first-principles calculations.Both R3 and P2_(1)/n phases of MTO are antiferromagnetic at zero temperature.The R3 phase transforms to the P2_(1)/n phase at 7.5 8 GPa,accompanied by a considerable volume collapse of about 6.47%.Employing the accurate method that combines DFT+U/and GW,the calculated band gap of R3 phase at zero pressure is very close to the experimental values,while that of the P2_(1)/n phase is significantly overestimated.The main reason for this difference is that the experimental study incorrectly used the Kubelka-Munk plot for the indirect band gap to obtain the band gap of the P2_(1)/n phase instead of the Kubelka-Munk plot for the direct band gap.Furthermore,our study reveals that the transition from the R3 phase to the P2_(1)/n phase is accompanied by a slight reduction in the band gap.

Stability and melting behavior of boron phosphide under high pressure

Boron phosphide(BP)has gained significant research attention due to its unique photoelectric and mechanical properties.In this work,we investigated the stability of BP under high pressure using x-ray diffraction and scanning electron microscope.The phase diagram of BP was explored in both B-rich and P-rich environments,revealing crucial insight into its behavior at 5.0 GPa.Additionally,we measured the melting curve of BP from 8.0 GPa to 15.0 GPa.Our findings indicate that the stability of BP under high pressure is improved within B-rich and P-rich environments.Furthermore,we report a remarkable observation of melting curve frustration at 10.0 GPa.This study will enhance our understanding of stability of BP under high pressure,shedding light on its potential application in semiconductor,thermal,and light-transmitting devices.

Ultrafast dynamics in photo-excited Mott insulator Sr_(3)Ir_(2)O_7 at high pressure

High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators.

Structural behavior and metallization of AsSbS_(3) at high pressure

The group V–VI semiconductor material getchellite (crystalline AsSbS_(3)) has garnered extensive attention due to itswonderful electronic and optical properties. The pressure engineering is one of the most effective methods to modulatecrystal structure and physical properties of semiconductor materials. In this study, the structural behavior, optical and electricalproperties of AsSbS_(3) under high pressure have been investigated systematically by in situ high-pressure experimentsfor the first time. The monoclinic structure of AsSbS_(3) remains stable up to 47.0 GPa without phase transition. The graduallattice contraction with increasing pressure results in a continuous narrowing of the bandgap then leads to pressure-inducedmetallization of AsSbS_(3) at 31.5 GPa. Our research presents a high-pressure strategy for tuning the crystal structure andphysical properties of AsSbS_(3) to expand its potential applications in electronic and optoelectronic fields.

Characteristics and distribution of microstructures in high pressure die cast alloys with X-ray microtomography:A review

Al and Mg alloy high pressure die castings(HPDC)are increasingly used in automotive industries.The microstructures in the castings have decisive effect on the casting mechanical properties,in which the microstructure characteristics are fundamental for the investigation of the microstructure-property relation.During the past decade,the microstructure characteristics of HPDC Al and Mg alloys,especially micro-pores andα-Fe,have been investigated from two-dimensional(2D)to threedimensional with X-ray micro-computed tomography(μ-CT).This paper provides an overview of the current understanding regarding the 3D characteristics and formation mechanisms of microstructures in HPDC alloys,their spatial distributions,and the impact on mechanical properties.Additionally,it outlines future research directions for the formation and control of heterogeneous microstructures in HPDC alloys.

A novel MgHe compound under high pressure

Helium,with a full-shell electronic structure,is the most inert element in the periodic table at atmospheric pressure.The study of the reaction between helium and other non-noble-gas elements as well as relevant compounds has attracted great attention in the fields of chemistry,physics,materials and planetary science.In this study,we found a stable compound of MgHe with P6_(3)/mmc symmetry at pressures above 795 GPa within zero-point energy.Thermodynamic stability calculations of P6_(3)/mmc phase at high temperatures and pressures indicate that this structure may exist in the interior of the super-Earth and Neptune.Our further simulations on the electron localization function and Bader analysis show that the predicted compound is an electride with-1.093e in the quantized interstitial quasiatom(ISQ)orbitals,which are localized at interstitial sites in the crystal lattice.Our study provides a theoretical basis for studying the physical and chemical properties of MgHe and the existence of MgHe in gaseous planets.

Synthetic analysis of meteorological elements for the sea fogs occurred in northwest the Yellow Sea under low pressure control and comparison with sea fogs occurred under high pressure control in summer

Based on the principle of transient perturbation analysis,in this paper,a method to objectively determine the weather pattern formed by sea fog is provided.On the basis of the classification results,the circulation situation,divergence and vertical velocity field,and the vertical profile of temperature and humidity are synthesized and analyzed.The basic characteristics of the circulation and physical field of sea fog under low pressure control(L type sea fog)are obtained,and the results are compared with the sea fog under the control of high pressure(H type sea fog):a)L type sea fogs potential height anomaly disturbance is mainly manifested in the low layer,and its average value is-65.66 gpm,gradually weakening upward;b)L type sea fogs inversion structure is weaker than H type sea fogs when it occurs,the fog layer is thicker and the high relative humidity level is high over the fog layer,while the H type sea fogs fog layer has a relatively obvious dry layer;c)L sea fog has three layers of structure at the vertical direction.The first layer 1000-950 hPa is convergence accompanied by weak rise and subsidence,the second layer 950-850 hPa is divergence accompanied by weak subsidence,and the third layer 850 to 500hPa is gradually strengthened.While there are two layer structures of the H type sea fog.1000 hPa is divergence accompanied by weak rising and sinking movement,950-500 hPa is a uniform subsidence movement.d)Probability density statistical analysis further quantified the vertical movement of L and H type sea fog and the distribution of relative humidity in each layer.These conclusions provide an important reference for forecasting the sea fog in the northwest of the Yellow Sea under the condition of low pressure circulation in summer.

Leaching behavior of metals from limonitic laterite ore by high pressure acid leaching

The leaching behavior of metals from a nickeliferous limonitic laterite ore was investigated by high pressure acid leaching process for the extraction of nickel and cobalt.The effects of sulfuric acid added,leaching temperature,leaching time and liquid/solid（L/S） ratio on metals extraction were examined.More than 97% Ni,96% Co,93% Mn,95% Mg and less than 1% Fe are extracted under optimum conditions.Analysis of the high pressure acid leaching residue by chemical and XRD analysis indicates that the residual iron and sulfur are mainly present in phases of hematite and alunite,respectively.The high pressure leaching process provides a simple and efficient way for the high recovery of nickel and cobalt from laterite ore,leaving residue as a suitable iron resource.

Microstructure evolution and thermal expansion of Cu-Zn alloy after high pressure heat treatment

The thermal expansion coefficients of Cu-Zn alloy before and after high pressure treatment were measured by thermal expansion instrument in the temperature range of 25？700 ℃,and the microstructure and phase transformation of the alloy were examined by optical microscope,X-ray diffractometer（XRD） and differential scanning calorimeter（DSC）.Based on the experimental results,the effects of high pressure treatment on the microstructure and thermal expansion of Cu-Zn alloy were investigated.The results show that the high pressure treatment can refine the grain and increase the thermal expansion coefficient of the Cu-Zn alloy,resulting in that the thermal expansion coefficient exhibits a high peak value on the α-T curve,and the peak value decreases with increasing the pressure.

Formability and strengthening mechanism of AA6061 tubular components under solid granule medium internal high pressure forming

A new technological process of tube forming was developed, namely solution treatment → granule medium internal high pressure forming → artificial aging. During this process, the mechanical properties of AA6061 tube can be adjusted by heat treatment to satisfy the process requirements and the processing method can also be realized by granule medium internal high pressure forming technology with the features of convenient implementation, low requirement to equipment and flexible design in product. Results show that, at a solution temperature of 560 ℃ and time of 120 min, the elongation of AA6061 increases by 313%, but the strength and the hardness dramatically decrease. At an aging temperature of 180 ℃ and time of 360 min, the strength and hardness of AA6061 alloy are recovered to the values of the as-received alloy. The maximum expansion ratio（MER） of AA6061 tube increases by 25.5% and the material properties of formed tube reach the performances of raw material.

Microstructure evolution and dislocation configurations in nanostructured Al-Mg alloys processed by high pressure torsion

Microstructure evolution and dislocation configurations in nanostructured Al–Mg alloys processed by high pressure torsion （HPT） were analyzed by transmission electron microscopy （TEM） and high-resolution TEM （HRTEM）. The results show that the grains less than 100 nm have sharp grain boundaries （GBs） and are completely free of dislocations. In contrast, a high density of dislocation as high as 1017 m^-2 exists within the grains larger than 200 nm and these larger grains are usually separated into subgrains and dislocation cells. The dislocations are 60° full dislocations with Burgers vectors of 1/2〈110〉and most of them appear as dipoles and loops. The microtwins and stacking faults （SFs） formed by the Shockley partials from the dissociation of both the 60° mixed dislocation and 0° screw dislocation in ultrafine grains were simultaneously observed by HRTEM in the HPT Al–Mg alloys. These results suggest that partial dislocation emissions, as well as the activation of partial dislocations could also become a deformation mechanism in ultrafine-grained aluminum during severe plastic deformation. The grain refinement mechanism associated with the very high local dislocation density, the dislocation cells and the non-equilibrium GBs, as well as the SFs and microtwins in the HPT Al-Mg alloys were proposed.

ULTRASTRUCTURE OF THE VEGETATIVE CELLS OF NOSTOC FLAGELLIFORME PREPARED WITH HIGH PRESSURE FREEZING AND FREEZE SUBSTITUTION TECHNIQUE

The ultrastructure of the vegetative cells of Nostoc flagelliforme Born. et Flah. was investigated with high pressure freezing and freeze substitution technique and compared with the results obtained by using conventional preparation methods. During the processes of chemical fixation, dehydration and embedding, the cell structures might be more artificially modified than that obtained from high pressure freezing and freeze substitution. With the present method, the sheath of N. flagelliforme could be well penetrated and no extra big space could exist between the cell and the sheath. The cell protoplasm rarely shrinked. Some fine structures of cell inclusions and unit membranes became visualized. Many bacteria were harbored in the sheath. In addition, the presence of big vacuoles in the cell of N. flagelliforme as well as the presence of bacteria in the sheath shown in the present preparation for cyanobacteria has not been described so far in the literature.

Flow characteristics and Shannon entropy analysis of dense-phase pneumatic conveying under high pressure

Experiments of dense-phase pneumatic conveying of pulverized coal using nitrogen are carded out in an experimental test facility with the conveying pressure up to 4. 0 MPa and the gas-solid ratio up to 450 kg/m^3. The influences of different conveying differential pressures, coal moisture contents, gas volume flow rates and superficial velocities on the solid-gas ratios are investigated. Shannon entropy analysis of pressure fluctuation time series is developed to reveal the flow characteristics. Through investigation of the distribution of the Shannon entropy under different conditions, the flow stability and the evolutional tendency of the Shannon entropy in different regimes and regime transition processes are discovered, and the relationship between the Shannon entropy and the flow regimes is also established. The results indicate that the solid-gas ratio and the Shannon entropy rise with the increase in conveying differential pressure. The solid-gas ratio and the Shannon entropy reveal preferable regularity with gas volume flow rates. The Shannon entropy is different for different flow regimes, and can be used to identify the flow regimes. Both mass flow rate and the Shannon entropy decrease with the increase in moisture contents. The Shannon entropy analysis is a feasible approach for researching the characteristics of flow regimes, flow stability and flow regime transitions in dense-phase pneumatic conveying under high pressure.

Development of Energy-storing High Pressure Spray Cooling System

The greenhouse has been increasingly used in the breeding industry. However, the high temperature inside the greenhouse in summer has not been effectively addressed. The spray cooling system sprays tiny droplets into the air. Thus the water molecules will be vaporized, absorbing heat and reducing ambient temperature. It is the only cooling method that can be used to cool the uneasily-sealed flexible greenhouse. We developed an energy-storing high pressure spray cooling system. The ordinary water pump is used as the source of high-pressure water. The partial kinetic energy is stored in the energy-storing tubes. When the water pump is stopped, the energy produced by releasing the compressed air can still be used to maintain the spray. And thus the use-cost and systematic wear would be reduced. The cooling system only requires 1 kilowatt hour of power per day. It has been widely used in summer to cool the breeding sheds. After a recent continuous improvement, its functions have been extended to disinfection, removing dust, humidifying and immunizing animals. In addition, it can also be used for the cooling and humidifying of squares, venues and streets in summer. The energy-storing high pressure spray cooling system has a broad application prospect.

Effects of high pressure on the microstructure and hardness of a Cu-Zn alloy

The microstructure of a Cu-Zn alloy treated under different high pressures was investigated by means of metallographic, scanning electron microscope （SEM）, energy dispersive spectrometer （EDS）, and X-ray diffraction （XRD）, and the hardness of the Cu-Zn alloy was also measured. The results show that the ct phase with a smaller grain size, different shapes, and random distribution appears in the Cu-Zn alloy during the solid-state phase transformation generation in the temperature range of 25-750℃ and the pressure range of 0-6 GPa. The amount of residual α phase in the microstructure decreases and then increases with increasing pressure. Under a high pressure of 3 GPa, the least volume fraction of residual a phase was obtained, and under a high pressure of 6 GPa, the changes of the microstructure of the Cu-Zn alloy were not obvious. In addition, high pressure can increase the hardness of the Cu-Zn alloy, but it cannot generate any new phase.

High pressure EIGA preparation and 3D printing capability of Ti-6Al-4V powder

Ti-6 Al-4 V alloy powder was processed by electrode induction melting gas atomization(EIGA)at high gas pressure(5.5-7.0 MPa).The effects of atomizing gas pressure on the powder characteristics and the microstructure,along with the mechanical properties of the as-fabricated block by laser melting deposition(LMD),were investigated.The results indicate that the diameters of powders are distributed in a wide range of sizes from 1 to 400μm,and the median powder size(d50)decreases with increasing gas pressure.The powders with a size fraction of 100-150μm obtained at gas pressures of 6.0 and 6.5 MPa have better flowability.The oxygen content is consistent with the change trend of gas pressure within a low range of 0.06%-0.20%.Specimens fabricated by LMD are mainly composed ofα+βgrains with a fine lamellar Widmanstatten structures and have the ultimate tensile strength(UTS)and yield strength of approximately 1100 and 1000 MPa,respectively.Furthermore,the atomized powders have a favorable 3 D printing capability,and the mechanical properties of Ti-6 Al-4 V alloys manufactured by LMD typically exceed those of their cast or wrought counterparts.

Influence of high pressure and manganese addition on Fe-rich phases and mechanical properties of hypereutectic Al-Si alloy with rheo-squeeze casting

The influence of high pressure and manganese addition on Fe-rich phases(FRPs)and mechanical properties of Al-14Si-2Fe alloy with rheo-squeeze casting(RSC)was investigated.The semi-solid alloy melt was treated by ultrasonic vibration(UV)firstly,and then formed by squeeze casting(SC).Results show that the FRPs in as-cast SC alloys are composed of coarseβ-Al5(Fe,Mn)Si,δ-Al4(Fe,Mn)Si2 and bone-shapedα-Al15(Fe,Mn)3Si2 phases when the pressure is 0 MPa.With RSC process,the FRPs are first refined by UV,and then the solidification under pressure further causes the grains to become smaller.The peritectic transformation occurs during the formation ofαphase.For the alloy with the same composition,the ultimate tensile strength(UTS)of RSC sample is higher than that of the SC sample.With the same forming process,the UTS of Al-14Si-2Fe-0.8Mn alloy is higher than that of Al-14Si-2Fe-0.4Mn alloy.

Mechanism of high pressure roll grinding on compression strength of oxidized hematite pellets

The mechanism of high pressure roll grinding on improvement of compression strength of oxidized hematite pellets was researched by considering their roasting properties. The results indicate that oxidized hematite pellets require higher preheating temperature and longer preheating time to attain required compression strength of pellets compared with the common magnetite oxidized pellets. It is found that when the hematite concentrates are pretreated by high pressure roll grinding （HPRG）, the compression strengths of preheated and roasted oxidized hematite pellets get improved even with lower preheating and roasting temperatures and shorter preheating and roasting time. The mechanism for HPRG to improve roasting properties of oxidized pellets were investigated and the cause mainly lies in the increase of micro-sized particles and the decrease of dispersion degree for hematite concentrates, which promotes the hematite concentrate particles to be compacted, the solid-phase crystallization, and finally the formation of Fe203 bonding bridges during subsequent high temperature roasting process.

High temperature and high pressure rheological properties of high-density water-based drilling fluids for deep wells

To maintain tight control over rheological properties of high-density water-based drilling fluids, it is essential to understand the factors influencing the theology of water-based drilling fluids. This paper examines temperature effects on the rheological properties of two types of high-density water-based drilling fluids （fresh water-based and brine-based） under high temperature and high pressure （HTHP） with a Fann 50SL rheometer. On the basis of the water-based drilling fluid systems formulated in laboratory, this paper mainly describes the influences of different types and concentration of clay, the content of a colloid stabilizer named GHJ-1 and fluid density on the rheological parameters such as viscosity and shear stress. In addition, the effects of aging temperature and aging time of the drilling fluid on these parameters were also examined. Clay content and proportions for different densities of brine-based fluids were recommended to effectively regulate the rheological properties. Four theological models, the Bingham, power law, Casson and H-B models, were employed to fit the rheological parameters. It turns out that the H-B model was the best one to describe the rheological properties of the high-density drilling fluid under HTHP conditions and power law model produced the worst fit. In addition, a new mathematical model that describes the apparent viscosity as a function of temperature and pressure was established and has been applied on site.

Characterization of A390 aluminum alloy produced at different slow shot speeds using vacuum assisted high pressure die casting

The effects of vacuum assistance on the microstructure and mechanical properties of high pressure die cast A390alloy at different slow shot speeds were evaluated.Plate-shaped specimens of hypereutectic A390aluminum alloy were produced on a TOYO BD?350V5cold chamber die casting machine incorporated with a self-improved TOYO vacuum system.According to the results,the vacuum pressure inside the die cavity increased linearly with the increasing slow shot speed at the beginning of mold filling.Meanwhile,tensile properties of vacuum die castings were deteriorated by the porosity content.In addition,the average primary silicon size decreased from23to14μm when the slow shot speed increased from0.05to0.2m/s,which has a binary functional relationship with the slow shot speed.After heat treatment,microstructural morphologies revealed that needle-shaped and thin-flaked eutectic silicon particles became rounded while Al2Cu dissolved intoα(Al)matrix.Furthermore,the fractography revealed that the fracture mechanism has evolved from brittle transgranular fracture to a fracture mode with many dimples after heat treatment.