Nickel based single crystal superalloy is currently widely used as the material for turbine blades in aerospace engines.However,metallurgical defects during the manufacturing process and damage during harsh environmen...Nickel based single crystal superalloy is currently widely used as the material for turbine blades in aerospace engines.However,metallurgical defects during the manufacturing process and damage during harsh environmental service are inevitable challenges for turbine blades.Therefore,bonding techniques play a very important role in the manufacturing and repair of turbine blades.The transient liquid phase(TLP)bonding of DD5 Ni-based single crystal superalloy was performed using the designed H1 interlayer.A new third-generation Ni-based superalloy T1 powder was mixed with H1 powder as another interlayer to improve the mechanical properties of the bonded joints.The res-ults show that,such a designed H1 interlayer is beneficial to the improvement of shear strength of DD5 alloy bonded joints by adjusting the bonding temperature and the prolongation of holding time.The maximum shear strength at room temperature of the joint with H1 interlayer reached 681 MPa when bonded at 1260℃for 3 h.The addition of T1 powder can effectively reduce holding time or relatively lower bond-ing temperature,while maintaining relatively high shear strength.When 1 wt.%T1 powder was mixed into H1 interlayer,the maximum room temperature shear strength of the joint bonded at 1260℃reached 641 MPa,which could be obtained for only 1 h.Considering the bonding temperature and the efficiency,the acceptable process parameter of H1+5 wt.%T1 interlayer was 1240℃/2 h,and the room tem-perature shear strength reached 613 MPa.展开更多
The study of phase transition processes in liquid crystals(LCs)remains challenging.Most thermotropic LCs exhibit a narrow temperature range and a rapid phase transition from the isotropic(ISO)to the nematic(N)phase,wh...The study of phase transition processes in liquid crystals(LCs)remains challenging.Most thermotropic LCs exhibit a narrow temperature range and a rapid phase transition from the isotropic(ISO)to the nematic(N)phase,which make it difficult to capture and manipulate the phase transition process.In this study,we observed the evolution of small droplets during the ISO–N phase transition in ferroelectric nematic(NF)LC RM734.After doping with metal nanoparticles(NPs),the temperature range of the phase transition broadened,and the droplets formed during the phase transition remained stable,with their diameter increasing linearly with temperature.In addition,droplets doped with NPs can be well controlled by an external electric field.This discovery not only aids in understanding the fundamental mechanisms of LC phase transitions but also provides a simple alternative method for preparing droplets,which is potentially valuable for applications in optoelectronic devices and sensors.展开更多
This study investigates full liquid phase sintering as a process of fabrication parts from WE43(Mg-4wt.%Y-3wt.%RE-0.7wt.%Zr)alloy using binder jetting additive manufacturing(BJAM).This fabrication process is being dev...This study investigates full liquid phase sintering as a process of fabrication parts from WE43(Mg-4wt.%Y-3wt.%RE-0.7wt.%Zr)alloy using binder jetting additive manufacturing(BJAM).This fabrication process is being developed for use in producing structural or biomedical devices.Specifically,this study focused on achieving a near-dense microstructure with WE43 Mg alloy while substantially reducing the duration of sintering post-processing after BJAM part rendering.The optimal process resulted in microstructure with 2.5%porosity and significantly reduced sintering time.The improved sintering can be explained by the presence of Y_(2)O_(3)and Nd_(2)O_(3)oxide layers,which form spontaneously on the surface of WE43 powder used in BJAM.These layers appear to be crucial in preventing shape distortion of the resulting samples and in enabling the development of sintering necks,particularly under sintering conditions exceeding the liquidus temperature of WE43 alloy.Sintered WE43 specimens rendered by BJAM achieved significant improvement in both corrosion resistance and mechanical properties through reduced porosity levels related to the sintering time.展开更多
One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm ...One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm for bonding time of 20,40,60,and 90 min.The bonding temperature of 860℃ was considered,which is under the β transus temperature of Cp-Ti.During TLP bonding,various intermetallic compounds(IMCs),including Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe),Ti_(2)(Cu,Ag),and Ti_(2)Cu from 304L toward Cp-Ti formed in the joint.Also,on the one side,with the increase in time,further diffusion of elements decreases the blocky IMCs such as Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe)in the 304L diffusion-affected zone(DAZ)and reaction zone,and on the other side,Ti_(2)(Cu,Ag)IMC transformed into fine morphology toward Cp-Ti DAZ.The microhardness test also demonstrated that the(Cr,Fe)_(2)Ti+Ti_(5)Cr_(7)Fe_(17) IMCs in the DAZ on the side of 304L have a hardness value of HV 564,making it the hardest phase.The maximum and minimum shear strength values are equal to 78.84 and 29.0 MPa,respectively.The cleavage pattern dominated fracture surfaces due to the formation of brittle phases in dissimilar joints.展开更多
In continuous casting production,droplet characteristics are important parameters for evaluating the nozzle atomization quality,and have a significant impact on the secondary cooling effect and the slab quality.In ord...In continuous casting production,droplet characteristics are important parameters for evaluating the nozzle atomization quality,and have a significant impact on the secondary cooling effect and the slab quality.In order to study the behavior of atomized droplets after reaching the slab surface and to optimize the spray cooling effect,the influence of droplet diameter and droplet velocity on the migration behavior of droplets in the secondary cooling zone was analyzed by FLUENT software.Results show that the droplets in the spray zone and on the slab surface are mainly concentrated in the center,thus,the liquid volume fraction in the center is higher than that of either side.As the droplet diameter increases,the region of high liquid volume fraction on the slab surface becomes wider,and the liquid phase distribution in the slab width direction becomes uneven.Although increasing the droplet velocity at the nozzle exit has little effect on droplet diffusion in the spray zone,the distribution becomes more uneven due to more liquid reaches the slab surface per unit time.A prediction formula of the maximum water flow rate on the slab surface for specific droplet characteristics was proposed based on dimensionless analysis and validated by simulated data.A nozzle spacing of 210 mm was recommended under the working conditions in this study,which ensures effective coverage of the spray water over the slab surface and enhances the distribution uniformity of water flow rate in the transverse direction.展开更多
Integrating liquid CO_(2)phase transition blasting(LCPTB)technology with hydraulic fracturing(HF)methods can help reduce wellbore damage,create multiple radial fractures,and establish a complex fracture network.This a...Integrating liquid CO_(2)phase transition blasting(LCPTB)technology with hydraulic fracturing(HF)methods can help reduce wellbore damage,create multiple radial fractures,and establish a complex fracture network.This approach significantly increases the recovery efficiency of low-permeability oil and gas fields.Accurately calculating the number of fractures caused by LCPTB is necessary to predict production enhancement effects and optimize subsequent HF designs.However,few studies are reported on large-scale physical model experiments in terms of a method for calculating the fracture number.This study analyzed the initiation and propagation of cracks under LCPTB,derived a calculation formula for crack propagation radius under stress waves,and then proposed a new,fast,and accurate method for calculating the fracture number using the principle of mass conservation.Through ten rock-breaking tests using LCPTB,the study confirmed the effectiveness of the proposed calculation approach and elucidated the variation rule of explosion pressure,rock-breaking scenario,and the impact of varying parameters on fracture number.The results show that the new calculation method is suitable for fracturing technologies with high pressure rates.Recommendations include enlarging the diameter of the fracturing tube and increasing the liquid CO_(2) mass in the tube to enhance fracture effectiveness.Moreover,the method can be applied to other fracturing technologies,such as explosive fracturing(EF)within HF formations,indicating its broader applicability and potential impact on optimizing unconventional resource extraction technologies.展开更多
The modulation of dielectric anisotropy(△ε)is pivotal for elucidating molecular interactions and directing the alignment of liquid crystals.In this study,we combine liquid crystals with opposing dielectric anisotrop...The modulation of dielectric anisotropy(△ε)is pivotal for elucidating molecular interactions and directing the alignment of liquid crystals.In this study,we combine liquid crystals with opposing dielectric anisotropies to explore the impact of varying concentrations on their properties.We report the sign-reversal of△εin both the nematic and smectic A phases of these mixed liquid crystals,alongside a dual-frequency behaviour across a broad temperature spectrum.Our research further quantifies the influence of mixture ratios under various temperatures and electric field frequencies.This exploration may pave the way for the discovery of new physical phenomena.展开更多
Two-phase pipe flow occurs frequently in oil&gas industry,nuclear power plants,and CCUS.Reliable calculations of gas void fraction(or liquid holdup)play a central role in two-phase pipe flow models.In this paper w...Two-phase pipe flow occurs frequently in oil&gas industry,nuclear power plants,and CCUS.Reliable calculations of gas void fraction(or liquid holdup)play a central role in two-phase pipe flow models.In this paper we apply the fractional flow theory to multiphase flow in pipes and present a unified modeling framework for predicting the fluid phase volume fractions over a broad range of pipe flow conditions.Compared to existing methods and correlations,this new framework provides a simple,approximate,and efficient way to estimate the phase volume fraction in two-phase pipe flow without invoking flow patterns.Notably,existing correlations for estimating phase volume fraction can be transformed and expressed under this modeling framework.Different fractional flow models are applicable to different flow conditions,and they demonstrate good agreement against experimental data within 5%errors when compared with an experimental database comprising of 2754 data groups from 14literature sources,covering various pipe geometries,flow patterns,fluid properties and flow inclinations.The gas void fraction predicted by the framework developed in this work can be used as inputs to reliably model the hydraulic and thermal behaviors of two-phase pipe flows.展开更多
In order to obtain the crystalline forms of the salts of the potassium,ammonium,calcium coexisting chloride system,the phase equilibria relationship of quaternary system K^(+),NH_(4)^(+),Ca^(2+)//Cl^(-)-H_(2)O at 298....In order to obtain the crystalline forms of the salts of the potassium,ammonium,calcium coexisting chloride system,the phase equilibria relationship of quaternary system K^(+),NH_(4)^(+),Ca^(2+)//Cl^(-)-H_(2)O at 298.2,323.2,and 348.2 K was studied by isothermal dissolution equilibrium method.The solubility and density of equilibrium liquid phases of the system were experimentally determined;X-ray powder diffractometer was used to determine the compositions of the equilibrium solid phase at the quaternary invariant point.It is found that the quaternary system is a complex system at these three temperatures.The phase diagram at 298.2 K consists of three invariant points,seven univariate curves and five crystalline phase regions,forming the solid solutions(NH_(4)Cl)_(x)(KCl)_(1-x) and(KCl)_(x)(NH_(4)Cl)_(1-x);while at 323.2 and 348.2 K the phase diagram consists of five invariant points,eleven univariate curves and seven crystalline phase regions,the double salts(KClCaCl_(2))and(2NH_(4)Cl·CaCl_(2)·3H_(2)O),solid solutions(KCl)_(x)(NH_(4)Cl)_(1-x) and(NH_(4)Cl)_(x)(KCl)_(1-x) were formed.Among them,the crystalline phase region of solid solution(KCl)_(x)(NH_(4)Cl)_(1-x) is the largest at three temperatures,indicating that it is the easiest to crystallize in this system.Comparing the phase diagrams of the quaternary system at 298.2,323.2,and 348.2 K,it can be seen that the crystalline form of CaCl_(2) changes with the increase of temperature:CaCl_(2)·6H_(2)O at 298.2 K,CaCl_(2)·2H_(2)O at 323.2 and 348.2 K.From 323.2 to 348.2 K,the crystalline phase regions of(KCl·CaCl_(2))and(2NH_(4)Cl·CaCl_(2)·3H_(2)O)increased gradually.展开更多
Slug flow or high GVF(Gas Volume Fraction)conditions can cause pressure disturbance waves and alternating loads at the boundary of mechanical seals for multiphase pumps,endangering the safety of multiphase pump units....Slug flow or high GVF(Gas Volume Fraction)conditions can cause pressure disturbance waves and alternating loads at the boundary of mechanical seals for multiphase pumps,endangering the safety of multiphase pump units.The mechanical seal model is simplified by using periodic boundary conditions and numerical calculations are carried out based on the Zwart-Gerber-Belamri cavitation model.UDF(User Define Function)programs such as structural dynamics equations,alternating load equations,and pressure disturbance equations are embedded in numerical calculations,and the dynamic response characteristics of mechanical seal are studied using layered dynamic mesh technology.The results show that when the pressure disturbance occurs at the inlet,as the amplitude and period of the disturbance increase,the film thickness gradually decreases.And the fundamental reason for the hysteresis of the film thickness change is that the pressure in the high-pressure area cannot be restored in a timely manner.The maximum value of leakage and the minimum value of axial velocity are independent of the disturbance period and determined by the disturbance amplitude.The mutual interference between enhanced waves does not have a significant impact on the film thickness,while the front wave in the attenuated wave has a promoting effect on the subsequent film thickness changes,and the fluctuation of the liquid film cavitation rate and axial velocity under the attenuated wave condition deviates from the initial values.Compared with pressure disturbance conditions,alternating load conditions have a more significant impact on film thickness and leakage.During actual operation,it is necessary to avoid alternating load conditions in multiphase pump mechanical seals.展开更多
The concentric internally heat-integrated distillation column(HIDi C) has advantages of low energy consumption and high thermodynamic efficiency. However, its drawbacks of limited heat transfer area,complex internal s...The concentric internally heat-integrated distillation column(HIDi C) has advantages of low energy consumption and high thermodynamic efficiency. However, its drawbacks of limited heat transfer area,complex internal structure, and large number of control parameters hinder its widespread industrial applications. To solve these challenges, in this work a novel sleeve-like concentric heat-integrated separation column, namely temperature-controlled phase change column(TCPC), was developed to separate liquid mixtures in a more effective and energy-saving way with reflux section being moved and trays being replaced with spiral corrugation blades. The comprehensive performances of TCPC in ethanol-water system was firstly evaluated by experiments. The results showed that TCPC performs well in ethanol-water separation due to the internal spiral corrugation significantly reducing the vapor-liquid contact in separation section. Meanwhile, compared to the concentric HIDi C, TCPC has a higher total heat transfer coefficient due to the larger heat transfer area. Computational fluid dynamics simulation reveals the internal design of TCPC inducing secondary vortices of the vapor, enhancing condensation heat transfer and separation efficiency. Further, increasing the mass flow rate within a certain range would enhance the comprehensive performance factor and lead to more effective separation.展开更多
Conventional conductivity methods for measuring the void fraction in gas-liquid multiphase systems are typically affected by accuracy problems due to the presence of fluid flow and salinity.This study presents a novel...Conventional conductivity methods for measuring the void fraction in gas-liquid multiphase systems are typically affected by accuracy problems due to the presence of fluid flow and salinity.This study presents a novel approach for determining the void fraction based on a reciprocating dynamic conductivity probe used to measure the liquid film thickness under forced annular-flow conditions.The measurement system comprises a cyclone,a conductivity probe,a probe reciprocating device,and a data acquisition and processing system.This method ensures that the flow pattern is adjusted to a forced annular flow,thereby minimizing the influence of complex and variable gas-liquid flow patterns on the measurement results;Moreover,it determines the liquid film thickness solely according to circuit connectivity rather than specific conductivity values,thereby mitigating the impact of salinity.The reliability of the measurement system is demonstrated through laboratory experiments.The experimental results indicate that,in a range of gas phase superficial velocities 5–20 m/s and liquid phase superficial velocities 0.079–0.48 m/s,the maximum measurement deviation for the void fraction is 4.23%.展开更多
The Janus fabrics designed for personal moisture/thermal regulation have garnered significant attention for their potential to enhance human comfort.However,the development of smart and dynamic fabrics capable of mana...The Janus fabrics designed for personal moisture/thermal regulation have garnered significant attention for their potential to enhance human comfort.However,the development of smart and dynamic fabrics capable of managing personal moisture/thermal comfort in response to changing external environments remains a challenge.Herein,a smart cellulose-based Janus fabric was designed to dynamically manage personal moisture/heat.The cotton fabric was grafted with N-isopropylacrylamide to construct a temperature-stimulated transport channel.Subsequently,hydrophobic ethyl cellulose and hydrophilic cellulose nanofiber were sprayed on the bottom and top sides of the fabric to obtain wettability gradient.The fabric exhibits anti-gravity directional liquid transportation from hydrophobic side to hydrophilic side,and can dynamically and continuously control the transportation time in a wide range of 3–66 s as the temperature increases from 10 to 40℃.This smart fabric can quickly dissipate heat at high temperatures,while at low temperatures,it can slow down the heat dissipation rate and prevent the human from becoming too cold.In addition,the fabric has UV shielding and photodynamic antibacterial properties through depositing graphitic carbon nitride nanosheets on the hydrophilic side.This smart fabric offers an innovative approach to maximizing personal comfort in environments with significant temperature variations.展开更多
Spinal cord injury is an intractable traumatic injury. The most common hurdles faced during spinal cord injury are failure of axonal regrowth and reconnection to target sites. These also tend to be the most challengin...Spinal cord injury is an intractable traumatic injury. The most common hurdles faced during spinal cord injury are failure of axonal regrowth and reconnection to target sites. These also tend to be the most challenging issues in spinal cord injury. As spinal cord injury progresses to the chronic phase, lost motor and sensory functions are not recovered. Several reasons may be attributed to the failure of recovery from chronic spinal cord injury. These include factors that inhibit axonal growth such as activated astrocytes, chondroitin sulfate proteoglycan, myelin-associated proteins, inflammatory microglia, and fibroblasts that accumulate at lesion sites. Skeletal muscle atrophy due to denervation is another chronic and detrimental spinal cord injury–specific condition. Although several intervention strategies based on multiple outlooks have been attempted for treating spinal cord injury, few approaches have been successful. To treat chronic spinal cord injury, neural cells or tissue substitutes may need to be supplied in the cavity area to enable possible axonal growth. Additionally, stimulating axonal growth activity by extrinsic factors is extremely important and essential for maintaining the remaining host neurons and transplanted neurons. This review focuses on pharmacotherapeutic approaches using small compounds and proteins to enable axonal growth in chronic spinal cord injury. This review presents some of these candidates that have shown promising outcomes in basic research(in vivo animal studies) and clinical trials: AA-NgR(310)ecto-Fc(AXER-204), fasudil, phosphatase and tensin homolog protein antagonist peptide 4, chondroitinase ABC, intracellular sigma peptide,(-)-epigallocatechin gallate, matrine, acteoside, pyrvate kinase M2, diosgenin, granulocyte-colony stimulating factor, and fampridine-sustained release. Although the current situation suggests that drug-based therapies to recover function in chronic spinal cord injury are limited, potential candidates have been identified through basic research, and these candidates may be subjects of clinical studies in the future. Moreover, cocktail therapy comprising drugs with varied underlying mechanisms may be effective in treating the refractory status of chronic spinal cord injury.展开更多
We adopted the solution impregnation route with aluminum dihydrogen phosphate solution as liquid medium for effective surface modification on graphite substrate.The mass ratio of graphite to Al(H_(2)PO_(4))_(3) change...We adopted the solution impregnation route with aluminum dihydrogen phosphate solution as liquid medium for effective surface modification on graphite substrate.The mass ratio of graphite to Al(H_(2)PO_(4))_(3) changed from 0.5:1 to 4:1,and the impregnation time changed from 1 to 7 h.The typical composite phase change thermal storage materials doped with the as-treated graphite were fabricated using form-stable technique.To investigate the oxidation and anti-oxidation behavior of the impregnated graphite at high temperatures,the samples were put into a muffle furnace for a cyclic heat test.Based on SEM,EDS,DSC techniques,analyses on the impregnated technique suggested an optimized processing conditions of a 3 h impregnation time with the ratio of graphite:Al(H_(2)PO_(4))_(3) as 1:3 for graphite impregnation treatment.Further investigations on high-temperature phase change heat storage materials doped by the treated graphite suggested excellent oxidation resistance and thermal cycling performance.展开更多
Gradient magnetic heterointerfaces have injected infinite vitality in optimizing impedance matching,adjusting dielectric/magnetic resonance and promoting electromagnetic(EM)wave absorption,but still exist a significan...Gradient magnetic heterointerfaces have injected infinite vitality in optimizing impedance matching,adjusting dielectric/magnetic resonance and promoting electromagnetic(EM)wave absorption,but still exist a significant challenging in regulating local phase evolution.Herein,accordion-shaped Co/Co_(3)O_(4)@N-doped carbon nanosheets(Co/Co_(3)O_(4)@NC)with gradient magnetic heterointerfaces have been fabricated via the cooperative high-temperature carbonization and lowtemperature oxidation process.The results indicate that the surface epitaxial growth of crystal Co_(3)O_(4) domains on local Co nanoparticles realizes the adjustment of magnetic-heteroatomic components,which are beneficial for optimizing impedance matching and interfacial polarization.Moreover,gradient magnetic heterointerfaces simultaneously realize magnetic coupling,and long-range magnetic diffraction.Specifically,the synthesized Co/Co_(3)O_(4)@NC absorbents display the strong electromagnetic wave attenuation capability of−53.5 dB at a thickness of 3.0 mm with an effective absorption bandwidth of 5.36 GHz,both are superior to those of single magnetic domains embedded in carbon matrix.This design concept provides us an inspiration in optimizing interfacial polarization,regulating magnetic coupling and promoting electromagnetic wave absorption.展开更多
The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La a...The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.展开更多
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
A series of multi-hydroxyl bis-(quaternary ammonium)ionic liquids(Ils1‒7)was prepared as bifunctional catalysts for the chemical fixation of CO_(2).All these ionic liquid compounds were efficient for the catalytic syn...A series of multi-hydroxyl bis-(quaternary ammonium)ionic liquids(Ils1‒7)was prepared as bifunctional catalysts for the chemical fixation of CO_(2).All these ionic liquid compounds were efficient for the catalytic synthesis of cyclic carbonates and oxazolidinones via the cycloaddition reactions between CO_(2) and epoxides or aziridines with excellent yield and high selectivity in the absence of co-catalyst,metal and solvent.Due to the synergistic effects of hydroxyl groups and halogen anion,the cycloaddition reactions proceeded smoothly either at atmospheric pressure or room temperature.The selectivity for substituted oxazolidinones at 5-and 4-positions can be tuned via changing the reaction conditions.Finally,possible mechanisms including the activation of both CO_(2) and epoxide or aziridines were proposed based on the literatures and experimental results.展开更多
The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index met...The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index method (CTIM). It is found that during the relaxation process, the formation and evolution of bcc phase are closely dependent on the initial temperature and structure. During the simulation time scale, when the initial temperature is in the range of supercooled liquid region, the bcc phase can be formed and kept a long time; while it is in the range of glassy region, the bcc phase can be formed at first and then partially transformed into hcp phase; when it decreases to the lower one, the hcp and fcc phases can be directly transformed from the glassy structure without undergoing the metastable bcc phase. The Ostwald's "step rule" is impactful during the isothermal relaxation process of the supercooled and glassy Pb, and the metastable bcc phase plays an important role in the precursor of crystallization.展开更多
基金supported by the National Science and Technology Major Project(2017-VI-0009-0080)the Key-Area Research and Development Program of Guangdong Province(2019B010935001)+1 种基金Shenzhen Science and Technology Plan(Project No.JSGG20210802093205015)Industry and Information Technology Bureau of Shenzhen Municipality(Project No.201806071354163490).
文摘Nickel based single crystal superalloy is currently widely used as the material for turbine blades in aerospace engines.However,metallurgical defects during the manufacturing process and damage during harsh environmental service are inevitable challenges for turbine blades.Therefore,bonding techniques play a very important role in the manufacturing and repair of turbine blades.The transient liquid phase(TLP)bonding of DD5 Ni-based single crystal superalloy was performed using the designed H1 interlayer.A new third-generation Ni-based superalloy T1 powder was mixed with H1 powder as another interlayer to improve the mechanical properties of the bonded joints.The res-ults show that,such a designed H1 interlayer is beneficial to the improvement of shear strength of DD5 alloy bonded joints by adjusting the bonding temperature and the prolongation of holding time.The maximum shear strength at room temperature of the joint with H1 interlayer reached 681 MPa when bonded at 1260℃for 3 h.The addition of T1 powder can effectively reduce holding time or relatively lower bond-ing temperature,while maintaining relatively high shear strength.When 1 wt.%T1 powder was mixed into H1 interlayer,the maximum room temperature shear strength of the joint bonded at 1260℃reached 641 MPa,which could be obtained for only 1 h.Considering the bonding temperature and the efficiency,the acceptable process parameter of H1+5 wt.%T1 interlayer was 1240℃/2 h,and the room tem-perature shear strength reached 613 MPa.
基金Project supported by the National Key Research and Development Program of China(Grant No.2022YFA1405000)the Natural Science Foundation of Jiangsu Province(Grant No.BK20211277)+2 种基金the Frontier Leading Technology Basic Research Project of Jiangsu Province(Grant No.BK20212004)the Postgraduate Research&Practice Innovation Program of Jiangsu Province(Grant No.KYCX230971)the Natural Science Foundation of Nanjing University of Posts and Telecommunications(Grant No.NY223087).
文摘The study of phase transition processes in liquid crystals(LCs)remains challenging.Most thermotropic LCs exhibit a narrow temperature range and a rapid phase transition from the isotropic(ISO)to the nematic(N)phase,which make it difficult to capture and manipulate the phase transition process.In this study,we observed the evolution of small droplets during the ISO–N phase transition in ferroelectric nematic(NF)LC RM734.After doping with metal nanoparticles(NPs),the temperature range of the phase transition broadened,and the droplets formed during the phase transition remained stable,with their diameter increasing linearly with temperature.In addition,droplets doped with NPs can be well controlled by an external electric field.This discovery not only aids in understanding the fundamental mechanisms of LC phase transitions but also provides a simple alternative method for preparing droplets,which is potentially valuable for applications in optoelectronic devices and sensors.
文摘This study investigates full liquid phase sintering as a process of fabrication parts from WE43(Mg-4wt.%Y-3wt.%RE-0.7wt.%Zr)alloy using binder jetting additive manufacturing(BJAM).This fabrication process is being developed for use in producing structural or biomedical devices.Specifically,this study focused on achieving a near-dense microstructure with WE43 Mg alloy while substantially reducing the duration of sintering post-processing after BJAM part rendering.The optimal process resulted in microstructure with 2.5%porosity and significantly reduced sintering time.The improved sintering can be explained by the presence of Y_(2)O_(3)and Nd_(2)O_(3)oxide layers,which form spontaneously on the surface of WE43 powder used in BJAM.These layers appear to be crucial in preventing shape distortion of the resulting samples and in enabling the development of sintering necks,particularly under sintering conditions exceeding the liquidus temperature of WE43 alloy.Sintered WE43 specimens rendered by BJAM achieved significant improvement in both corrosion resistance and mechanical properties through reduced porosity levels related to the sintering time.
文摘One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm for bonding time of 20,40,60,and 90 min.The bonding temperature of 860℃ was considered,which is under the β transus temperature of Cp-Ti.During TLP bonding,various intermetallic compounds(IMCs),including Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe),Ti_(2)(Cu,Ag),and Ti_(2)Cu from 304L toward Cp-Ti formed in the joint.Also,on the one side,with the increase in time,further diffusion of elements decreases the blocky IMCs such as Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe)in the 304L diffusion-affected zone(DAZ)and reaction zone,and on the other side,Ti_(2)(Cu,Ag)IMC transformed into fine morphology toward Cp-Ti DAZ.The microhardness test also demonstrated that the(Cr,Fe)_(2)Ti+Ti_(5)Cr_(7)Fe_(17) IMCs in the DAZ on the side of 304L have a hardness value of HV 564,making it the hardest phase.The maximum and minimum shear strength values are equal to 78.84 and 29.0 MPa,respectively.The cleavage pattern dominated fracture surfaces due to the formation of brittle phases in dissimilar joints.
基金funded by the National Natural Science Foundation of China(Nos.51974213 and 52174324)。
文摘In continuous casting production,droplet characteristics are important parameters for evaluating the nozzle atomization quality,and have a significant impact on the secondary cooling effect and the slab quality.In order to study the behavior of atomized droplets after reaching the slab surface and to optimize the spray cooling effect,the influence of droplet diameter and droplet velocity on the migration behavior of droplets in the secondary cooling zone was analyzed by FLUENT software.Results show that the droplets in the spray zone and on the slab surface are mainly concentrated in the center,thus,the liquid volume fraction in the center is higher than that of either side.As the droplet diameter increases,the region of high liquid volume fraction on the slab surface becomes wider,and the liquid phase distribution in the slab width direction becomes uneven.Although increasing the droplet velocity at the nozzle exit has little effect on droplet diffusion in the spray zone,the distribution becomes more uneven due to more liquid reaches the slab surface per unit time.A prediction formula of the maximum water flow rate on the slab surface for specific droplet characteristics was proposed based on dimensionless analysis and validated by simulated data.A nozzle spacing of 210 mm was recommended under the working conditions in this study,which ensures effective coverage of the spray water over the slab surface and enhances the distribution uniformity of water flow rate in the transverse direction.
基金supported by the National Key R&D Program of China (Grant No.2020YFA0711802).
文摘Integrating liquid CO_(2)phase transition blasting(LCPTB)technology with hydraulic fracturing(HF)methods can help reduce wellbore damage,create multiple radial fractures,and establish a complex fracture network.This approach significantly increases the recovery efficiency of low-permeability oil and gas fields.Accurately calculating the number of fractures caused by LCPTB is necessary to predict production enhancement effects and optimize subsequent HF designs.However,few studies are reported on large-scale physical model experiments in terms of a method for calculating the fracture number.This study analyzed the initiation and propagation of cracks under LCPTB,derived a calculation formula for crack propagation radius under stress waves,and then proposed a new,fast,and accurate method for calculating the fracture number using the principle of mass conservation.Through ten rock-breaking tests using LCPTB,the study confirmed the effectiveness of the proposed calculation approach and elucidated the variation rule of explosion pressure,rock-breaking scenario,and the impact of varying parameters on fracture number.The results show that the new calculation method is suitable for fracturing technologies with high pressure rates.Recommendations include enlarging the diameter of the fracturing tube and increasing the liquid CO_(2) mass in the tube to enhance fracture effectiveness.Moreover,the method can be applied to other fracturing technologies,such as explosive fracturing(EF)within HF formations,indicating its broader applicability and potential impact on optimizing unconventional resource extraction technologies.
基金Project supported by the National Key Research and Development Program of China (Grant No.2022YFA1405000)the National Natural Science Foundation of China (Grant No.62375141)+1 种基金the Natural Science Foundation of Jiangsu Province,Major Project (Grant No.BK20212004)the Natural Science Research Start-up Foundation of Recruiting Talents of Nanjing University of Posts and Telecommunications (Grant Nos.NY222122 and NY222105)。
文摘The modulation of dielectric anisotropy(△ε)is pivotal for elucidating molecular interactions and directing the alignment of liquid crystals.In this study,we combine liquid crystals with opposing dielectric anisotropies to explore the impact of varying concentrations on their properties.We report the sign-reversal of△εin both the nematic and smectic A phases of these mixed liquid crystals,alongside a dual-frequency behaviour across a broad temperature spectrum.Our research further quantifies the influence of mixture ratios under various temperatures and electric field frequencies.This exploration may pave the way for the discovery of new physical phenomena.
基金financial support from the Energize Program between the University of Texas at Austin and Southwest Research InstituteHydraulic Fracturing and Sand Control Industrial Affiliates Program at the University of Texas at Austin for financially supporting this research。
文摘Two-phase pipe flow occurs frequently in oil&gas industry,nuclear power plants,and CCUS.Reliable calculations of gas void fraction(or liquid holdup)play a central role in two-phase pipe flow models.In this paper we apply the fractional flow theory to multiphase flow in pipes and present a unified modeling framework for predicting the fluid phase volume fractions over a broad range of pipe flow conditions.Compared to existing methods and correlations,this new framework provides a simple,approximate,and efficient way to estimate the phase volume fraction in two-phase pipe flow without invoking flow patterns.Notably,existing correlations for estimating phase volume fraction can be transformed and expressed under this modeling framework.Different fractional flow models are applicable to different flow conditions,and they demonstrate good agreement against experimental data within 5%errors when compared with an experimental database comprising of 2754 data groups from 14literature sources,covering various pipe geometries,flow patterns,fluid properties and flow inclinations.The gas void fraction predicted by the framework developed in this work can be used as inputs to reliably model the hydraulic and thermal behaviors of two-phase pipe flows.
基金Supported by the National Key Research and Development Program of China(2023YFC2906503)Sichuan Province Science and Technology Support Program(2023ZYD0036).
文摘In order to obtain the crystalline forms of the salts of the potassium,ammonium,calcium coexisting chloride system,the phase equilibria relationship of quaternary system K^(+),NH_(4)^(+),Ca^(2+)//Cl^(-)-H_(2)O at 298.2,323.2,and 348.2 K was studied by isothermal dissolution equilibrium method.The solubility and density of equilibrium liquid phases of the system were experimentally determined;X-ray powder diffractometer was used to determine the compositions of the equilibrium solid phase at the quaternary invariant point.It is found that the quaternary system is a complex system at these three temperatures.The phase diagram at 298.2 K consists of three invariant points,seven univariate curves and five crystalline phase regions,forming the solid solutions(NH_(4)Cl)_(x)(KCl)_(1-x) and(KCl)_(x)(NH_(4)Cl)_(1-x);while at 323.2 and 348.2 K the phase diagram consists of five invariant points,eleven univariate curves and seven crystalline phase regions,the double salts(KClCaCl_(2))and(2NH_(4)Cl·CaCl_(2)·3H_(2)O),solid solutions(KCl)_(x)(NH_(4)Cl)_(1-x) and(NH_(4)Cl)_(x)(KCl)_(1-x) were formed.Among them,the crystalline phase region of solid solution(KCl)_(x)(NH_(4)Cl)_(1-x) is the largest at three temperatures,indicating that it is the easiest to crystallize in this system.Comparing the phase diagrams of the quaternary system at 298.2,323.2,and 348.2 K,it can be seen that the crystalline form of CaCl_(2) changes with the increase of temperature:CaCl_(2)·6H_(2)O at 298.2 K,CaCl_(2)·2H_(2)O at 323.2 and 348.2 K.From 323.2 to 348.2 K,the crystalline phase regions of(KCl·CaCl_(2))and(2NH_(4)Cl·CaCl_(2)·3H_(2)O)increased gradually.
基金the support of the National Natural Science Foundation of China(52372368)。
文摘Slug flow or high GVF(Gas Volume Fraction)conditions can cause pressure disturbance waves and alternating loads at the boundary of mechanical seals for multiphase pumps,endangering the safety of multiphase pump units.The mechanical seal model is simplified by using periodic boundary conditions and numerical calculations are carried out based on the Zwart-Gerber-Belamri cavitation model.UDF(User Define Function)programs such as structural dynamics equations,alternating load equations,and pressure disturbance equations are embedded in numerical calculations,and the dynamic response characteristics of mechanical seal are studied using layered dynamic mesh technology.The results show that when the pressure disturbance occurs at the inlet,as the amplitude and period of the disturbance increase,the film thickness gradually decreases.And the fundamental reason for the hysteresis of the film thickness change is that the pressure in the high-pressure area cannot be restored in a timely manner.The maximum value of leakage and the minimum value of axial velocity are independent of the disturbance period and determined by the disturbance amplitude.The mutual interference between enhanced waves does not have a significant impact on the film thickness,while the front wave in the attenuated wave has a promoting effect on the subsequent film thickness changes,and the fluctuation of the liquid film cavitation rate and axial velocity under the attenuated wave condition deviates from the initial values.Compared with pressure disturbance conditions,alternating load conditions have a more significant impact on film thickness and leakage.During actual operation,it is necessary to avoid alternating load conditions in multiphase pump mechanical seals.
文摘The concentric internally heat-integrated distillation column(HIDi C) has advantages of low energy consumption and high thermodynamic efficiency. However, its drawbacks of limited heat transfer area,complex internal structure, and large number of control parameters hinder its widespread industrial applications. To solve these challenges, in this work a novel sleeve-like concentric heat-integrated separation column, namely temperature-controlled phase change column(TCPC), was developed to separate liquid mixtures in a more effective and energy-saving way with reflux section being moved and trays being replaced with spiral corrugation blades. The comprehensive performances of TCPC in ethanol-water system was firstly evaluated by experiments. The results showed that TCPC performs well in ethanol-water separation due to the internal spiral corrugation significantly reducing the vapor-liquid contact in separation section. Meanwhile, compared to the concentric HIDi C, TCPC has a higher total heat transfer coefficient due to the larger heat transfer area. Computational fluid dynamics simulation reveals the internal design of TCPC inducing secondary vortices of the vapor, enhancing condensation heat transfer and separation efficiency. Further, increasing the mass flow rate within a certain range would enhance the comprehensive performance factor and lead to more effective separation.
基金the National Natural Science Foundation of China(No.62173049)the Open Fund of the Hubei Key Laboratory of Oil and Gas Drilling and Production Engineering(Yangtze University),YQZC202309.
文摘Conventional conductivity methods for measuring the void fraction in gas-liquid multiphase systems are typically affected by accuracy problems due to the presence of fluid flow and salinity.This study presents a novel approach for determining the void fraction based on a reciprocating dynamic conductivity probe used to measure the liquid film thickness under forced annular-flow conditions.The measurement system comprises a cyclone,a conductivity probe,a probe reciprocating device,and a data acquisition and processing system.This method ensures that the flow pattern is adjusted to a forced annular flow,thereby minimizing the influence of complex and variable gas-liquid flow patterns on the measurement results;Moreover,it determines the liquid film thickness solely according to circuit connectivity rather than specific conductivity values,thereby mitigating the impact of salinity.The reliability of the measurement system is demonstrated through laboratory experiments.The experimental results indicate that,in a range of gas phase superficial velocities 5–20 m/s and liquid phase superficial velocities 0.079–0.48 m/s,the maximum measurement deviation for the void fraction is 4.23%.
基金support of this work by National Key Research and Development Program of China(2019YFC19059003)the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(23KJB430024)+1 种基金Jiangsu Funding Program for Excellent Postdoctoral Talent(2023ZB680)Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)are gratefully acknowledged.
文摘The Janus fabrics designed for personal moisture/thermal regulation have garnered significant attention for their potential to enhance human comfort.However,the development of smart and dynamic fabrics capable of managing personal moisture/thermal comfort in response to changing external environments remains a challenge.Herein,a smart cellulose-based Janus fabric was designed to dynamically manage personal moisture/heat.The cotton fabric was grafted with N-isopropylacrylamide to construct a temperature-stimulated transport channel.Subsequently,hydrophobic ethyl cellulose and hydrophilic cellulose nanofiber were sprayed on the bottom and top sides of the fabric to obtain wettability gradient.The fabric exhibits anti-gravity directional liquid transportation from hydrophobic side to hydrophilic side,and can dynamically and continuously control the transportation time in a wide range of 3–66 s as the temperature increases from 10 to 40℃.This smart fabric can quickly dissipate heat at high temperatures,while at low temperatures,it can slow down the heat dissipation rate and prevent the human from becoming too cold.In addition,the fabric has UV shielding and photodynamic antibacterial properties through depositing graphitic carbon nitride nanosheets on the hydrophilic side.This smart fabric offers an innovative approach to maximizing personal comfort in environments with significant temperature variations.
文摘Spinal cord injury is an intractable traumatic injury. The most common hurdles faced during spinal cord injury are failure of axonal regrowth and reconnection to target sites. These also tend to be the most challenging issues in spinal cord injury. As spinal cord injury progresses to the chronic phase, lost motor and sensory functions are not recovered. Several reasons may be attributed to the failure of recovery from chronic spinal cord injury. These include factors that inhibit axonal growth such as activated astrocytes, chondroitin sulfate proteoglycan, myelin-associated proteins, inflammatory microglia, and fibroblasts that accumulate at lesion sites. Skeletal muscle atrophy due to denervation is another chronic and detrimental spinal cord injury–specific condition. Although several intervention strategies based on multiple outlooks have been attempted for treating spinal cord injury, few approaches have been successful. To treat chronic spinal cord injury, neural cells or tissue substitutes may need to be supplied in the cavity area to enable possible axonal growth. Additionally, stimulating axonal growth activity by extrinsic factors is extremely important and essential for maintaining the remaining host neurons and transplanted neurons. This review focuses on pharmacotherapeutic approaches using small compounds and proteins to enable axonal growth in chronic spinal cord injury. This review presents some of these candidates that have shown promising outcomes in basic research(in vivo animal studies) and clinical trials: AA-NgR(310)ecto-Fc(AXER-204), fasudil, phosphatase and tensin homolog protein antagonist peptide 4, chondroitinase ABC, intracellular sigma peptide,(-)-epigallocatechin gallate, matrine, acteoside, pyrvate kinase M2, diosgenin, granulocyte-colony stimulating factor, and fampridine-sustained release. Although the current situation suggests that drug-based therapies to recover function in chronic spinal cord injury are limited, potential candidates have been identified through basic research, and these candidates may be subjects of clinical studies in the future. Moreover, cocktail therapy comprising drugs with varied underlying mechanisms may be effective in treating the refractory status of chronic spinal cord injury.
基金Funded by Scientific and Technological Innovation Project of Carbon Emission Peak and Carbon Neutrality of Jiangsu Province(No.BE2022028-4)。
文摘We adopted the solution impregnation route with aluminum dihydrogen phosphate solution as liquid medium for effective surface modification on graphite substrate.The mass ratio of graphite to Al(H_(2)PO_(4))_(3) changed from 0.5:1 to 4:1,and the impregnation time changed from 1 to 7 h.The typical composite phase change thermal storage materials doped with the as-treated graphite were fabricated using form-stable technique.To investigate the oxidation and anti-oxidation behavior of the impregnated graphite at high temperatures,the samples were put into a muffle furnace for a cyclic heat test.Based on SEM,EDS,DSC techniques,analyses on the impregnated technique suggested an optimized processing conditions of a 3 h impregnation time with the ratio of graphite:Al(H_(2)PO_(4))_(3) as 1:3 for graphite impregnation treatment.Further investigations on high-temperature phase change heat storage materials doped by the treated graphite suggested excellent oxidation resistance and thermal cycling performance.
基金financially supported by the National Natural Science Foundation of China(52373271)Science,Technology and Innovation Commission of Shenzhen Municipality under Grant(KCXFZ20201221173004012)+1 种基金National Key Research and Development Program of Shaanxi Province(No.2023-YBNY-271)Open Testing Foundation of the Analytical&Testing Center of Northwestern Polytechnical University(2023T019).
文摘Gradient magnetic heterointerfaces have injected infinite vitality in optimizing impedance matching,adjusting dielectric/magnetic resonance and promoting electromagnetic(EM)wave absorption,but still exist a significant challenging in regulating local phase evolution.Herein,accordion-shaped Co/Co_(3)O_(4)@N-doped carbon nanosheets(Co/Co_(3)O_(4)@NC)with gradient magnetic heterointerfaces have been fabricated via the cooperative high-temperature carbonization and lowtemperature oxidation process.The results indicate that the surface epitaxial growth of crystal Co_(3)O_(4) domains on local Co nanoparticles realizes the adjustment of magnetic-heteroatomic components,which are beneficial for optimizing impedance matching and interfacial polarization.Moreover,gradient magnetic heterointerfaces simultaneously realize magnetic coupling,and long-range magnetic diffraction.Specifically,the synthesized Co/Co_(3)O_(4)@NC absorbents display the strong electromagnetic wave attenuation capability of−53.5 dB at a thickness of 3.0 mm with an effective absorption bandwidth of 5.36 GHz,both are superior to those of single magnetic domains embedded in carbon matrix.This design concept provides us an inspiration in optimizing interfacial polarization,regulating magnetic coupling and promoting electromagnetic wave absorption.
基金financially supported by the National Key R &D Program of China (No.2022YFB3709300)。
文摘The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
文摘A series of multi-hydroxyl bis-(quaternary ammonium)ionic liquids(Ils1‒7)was prepared as bifunctional catalysts for the chemical fixation of CO_(2).All these ionic liquid compounds were efficient for the catalytic synthesis of cyclic carbonates and oxazolidinones via the cycloaddition reactions between CO_(2) and epoxides or aziridines with excellent yield and high selectivity in the absence of co-catalyst,metal and solvent.Due to the synergistic effects of hydroxyl groups and halogen anion,the cycloaddition reactions proceeded smoothly either at atmospheric pressure or room temperature.The selectivity for substituted oxazolidinones at 5-and 4-positions can be tuned via changing the reaction conditions.Finally,possible mechanisms including the activation of both CO_(2) and epoxide or aziridines were proposed based on the literatures and experimental results.
基金Projects (50831003, 50571037) supported by the National Natural Science Foundation of China
文摘The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index method (CTIM). It is found that during the relaxation process, the formation and evolution of bcc phase are closely dependent on the initial temperature and structure. During the simulation time scale, when the initial temperature is in the range of supercooled liquid region, the bcc phase can be formed and kept a long time; while it is in the range of glassy region, the bcc phase can be formed at first and then partially transformed into hcp phase; when it decreases to the lower one, the hcp and fcc phases can be directly transformed from the glassy structure without undergoing the metastable bcc phase. The Ostwald's "step rule" is impactful during the isothermal relaxation process of the supercooled and glassy Pb, and the metastable bcc phase plays an important role in the precursor of crystallization.