3D printing techniques offer an effective method in fabricating complex radially multi-material structures.However,it is challenging for complex and delicate radially multi-material model geometries without supporting...3D printing techniques offer an effective method in fabricating complex radially multi-material structures.However,it is challenging for complex and delicate radially multi-material model geometries without supporting structures,such as tissue vessels and tubular graft,among others.In this work,we tackle these challenges by developing a polar digital light processing technique which uses a rod as the printing platform.The 3D model fabrication is accomplished through line projection.The rotation and translation of the rod are synchronized to project and illuminate the photosensitive material volume.By controlling the distance between the rod and the printing window,we achieved the printing of tubular structures with a minimum wall thickness as thin as 50 micrometers.By controlling the width of fine slits at the printing window,we achieved the printing of structures with a minimum feature size of 10 micrometers.Our process accomplished the fabrication of thin-walled tubular graft structure with a thickness of only 100 micrometers and lengths of several centimeters within a timeframe of just 100 s.Additionally,it enables the printing of axial multi-material structures,thereby achieving adjustable mechanical strength.This method is conducive to rapid customization of tubular grafts and the manufacturing of tubular components in fields such as dentistry,aerospace,and more.展开更多
The development of tissue engineering and regeneration research has created new platforms for bone transplantation.However,the preparation of scaffolds with good fiber integrity is challenging,because scaffolds prepar...The development of tissue engineering and regeneration research has created new platforms for bone transplantation.However,the preparation of scaffolds with good fiber integrity is challenging,because scaffolds prepared by traditional printing methods are prone to fiber cracking during solvent evaporation.Human skin has an excellent natural heat-management system,which helps to maintain a constant body temperature through perspiration or blood-vessel constriction.In this work,an electrohydrodynamic-jet 3D-printing method inspired by the thermal-management system of skin was developed.In this system,the evaporation of solvent in the printed fibers can be adjusted using the temperature-change rate of the substrate to prepare 3D structures with good structural integrity.To investigate the solvent evaporation and the interlayer bonding of the fibers,finite-element analysis simulations of a three-layer microscale structure were carried out.The results show that the solvent-evaporation path is from bottom to top,and the strain in the printed structure becomes smaller with a smaller temperaturechange rate.Experimental results verified the accuracy of these simulation results,and a variety of complex 3D structures with high aspect ratios were printed.Microscale cracks were reduced to the nanoscale by adjusting the temperature-change rate from 2.5 to 0.5℃s-1.Optimized process parameters were selected to prepare a tissue engineering scaffold with high integrity.It was confirmed that this printed scaffold had good biocompatibility and could be used for bone-tissue regeneration.This simple and flexible 3D-printing method can also help with the preparation of a wide range of micro-and nanostructured sensors and actuators.展开更多
A machine learning(ML)-based random forest(RF)classification model algorithm was employed to investigate the main factors affecting the formation of the core-shell structure of BaTiO_(3)-based ceramics and their inter...A machine learning(ML)-based random forest(RF)classification model algorithm was employed to investigate the main factors affecting the formation of the core-shell structure of BaTiO_(3)-based ceramics and their interpretability was analyzed by using Shapley additive explanations(SHAP).An F1-score changed from 0.8795 to 0.9310,accuracy from 0.8450 to 0.9070,precision from 0.8714 to 0.9000,recall from 0.8929 to 0.9643,and ROC/AUC value of 0.97±0.03 was achieved by the RF classification with the optimal set of features containing only 5 features,demonstrating the high accuracy of our model and its high robustness.During the interpretability analysis of the model,it was found that the electronegativity,melting point,and sintering temperature of the dopant contribute highly to the formation of the core-shell structure,and based on these characteristics,specific ranges were delineated and twelve elements were finally obtained that met all the requirements,namely Si,Sc,Mn,Fe,Co,Ni,Pd,Er,Tm,Lu,Pa,and Cm.In the process of exploring the structure of the core-shell,the doping elements can be effectively localized to be selected by choosing the range of features.展开更多
Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and hi...Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and high mechanical properties.Inspired by Chinese ramen,we propose a universal fabricating method(printing-P,training-T,cross-linking-C,PTC&PCT)for tough hydrogel scaffolds to fill this gap.First,3D printing fabricates a hydrogel scaffold with desired structures(P).Then,the scaffold could have extraordinarily high mechanical properties and functional surface structure by cycle mechanical training with salting-out assistance(T).Finally,the training results are fixed by photo-cross-linking processing(C).The tough gelatin hydrogel scaffolds exhibit excellent tensile strength of 6.66 MPa(622-fold untreated)and have excellent biocompatibility.Furthermore,this scaffold possesses functional surface structures from nanometer to micron to millimeter,which can efficiently induce directional cell growth.Interestingly,this strategy can produce bionic human tissue with mechanical properties of 10 kPa-10 MPa by changing the type of salt,and many hydrogels,such as gelatin and silk,could be improved with PTC or PCT strategies.Animal experiments show that this scaffold can effectively promote the new generation of muscle fibers,blood vessels,and nerves within 4 weeks,prompting the rapid regeneration of large-volume muscle loss injuries.展开更多
Internet of Vehicles (IoV) is a new system that enables individual vehicles to connect with nearby vehicles,people, transportation infrastructure, and networks, thereby realizing amore intelligent and efficient transp...Internet of Vehicles (IoV) is a new system that enables individual vehicles to connect with nearby vehicles,people, transportation infrastructure, and networks, thereby realizing amore intelligent and efficient transportationsystem. The movement of vehicles and the three-dimensional (3D) nature of the road network cause the topologicalstructure of IoV to have the high space and time complexity.Network modeling and structure recognition for 3Droads can benefit the description of topological changes for IoV. This paper proposes a 3Dgeneral roadmodel basedon discrete points of roads obtained from GIS. First, the constraints imposed by 3D roads on moving vehicles areanalyzed. Then the effects of road curvature radius (Ra), longitudinal slope (Slo), and length (Len) on speed andacceleration are studied. Finally, a general 3D road network model based on road section features is established.This paper also presents intersection and road section recognition methods based on the structural features ofthe 3D road network model and the road features. Real GIS data from a specific region of Beijing is adopted tocreate the simulation scenario, and the simulation results validate the general 3D road network model and therecognitionmethod. Therefore, thiswork makes contributions to the field of intelligent transportation by providinga comprehensive approach tomodeling the 3Droad network and its topological changes in achieving efficient trafficflowand improved road safety.展开更多
The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters of...The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters ofβ-Si_(3)N_(4) were consistent with previous date.The cohesive energy and formation enthalpy show that initialβ-Si_(3)N_(4) has the highest structural stability.The calculated elastic constant and the Voigt-Reuss-Hill approximation indicate that elastic moduli ofβ-Si_(3)N_(4) are slightly reduced by M doping.Based on Poisson’s and Pugh’s ratio,β-Si_(3)N_(4) is a ductile material and the toughness ofβ-Si_(3)N_(4) increases with M doping,and Fe doping exhibited the best toughness.The results of density of states,charge distributions and overlapping populations indicate thatβ-Si_(3)N_(4) has the strong covalent and ionic bond strength between N and Si.展开更多
The novelty of this research lies in the successful fabrication of a 3D-printed honeycomb structure filled with nanofillers for acoustic properties,utilizing an impedance tube setup in accordance with ASTM standard E ...The novelty of this research lies in the successful fabrication of a 3D-printed honeycomb structure filled with nanofillers for acoustic properties,utilizing an impedance tube setup in accordance with ASTM standard E 1050-12.The Creality Ender-3,a 3D printer,was used for printing the honeycomb structures,and polylactic acid(PLA)material was employed for their construction.The organic,inorganic,and polymeric compounds within the composites were identified using fourier transformation infrared(FTIR)spectroscopy.The structure and homogeneity of the samples were examined using a field emission scanning electron microscope(FESEM).To determine the sound absorption coefficient of the 3D printed honeycomb structure,numerous samples were systematically developed using central composite design(CCD)and analysed using response surface methodology(RSM).The RSM mathematical model was established to predict the optimum values of each factor and noise reduction coefficient(NRC).The optimum values for an NRC of 0.377 were found to be 1.116 wt% carbon black,1.025 wt% aluminium powder,and 3.151 mm distance between parallel edges.Overall,the results demonstrate that a 3Dprinted honeycomb structure filled with nanofillers is an excellent material that can be utilized in various fields,including defence and aviation,where lightweight and acoustic properties are of great importance.展开更多
The important supporting component in a gas turbine is the casing,which has the characteristics of large size,complex structure,and thin wall.In the context of existing 3DP sand casting processes,casting crack defects...The important supporting component in a gas turbine is the casing,which has the characteristics of large size,complex structure,and thin wall.In the context of existing 3DP sand casting processes,casting crack defects are prone to occur.This leads to an increase in the scrap rate of casings,causing significant resource wastage.Additionally,the presence of cracks poses a significant safety hazard after the casings are put into service.The generation of different types of crack defects in stainless steel casings is closely related to casting stress and the high-temperature concession of the sand mold.Therefore,the types and causes of cracks in stainless steel casing products,based on their structural characteristics,were systematically analyzed.Various sand molds with different internal topology designs were printed using the 3DP technology to investigate the impact of sand mold structures on high-temperature concession.The optimal sand mold structure was used to cast casings,and the crack suppression effect was verified by analyzing its eddy current testing results.The experimental results indicate that the skeleton structure has an excellent effect on suppressing cracks in the casing.This research holds important theoretical and engineering significance in improving the quality of casing castings and reducing production costs.展开更多
The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, iono...The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.展开更多
The architectural design of electrodes offers new opportunities for next-generation electrochemical energy storage devices(EESDs)by increasing surface area,thickness,and active materials mass loading while maintaining...The architectural design of electrodes offers new opportunities for next-generation electrochemical energy storage devices(EESDs)by increasing surface area,thickness,and active materials mass loading while maintaining good ion diffusion through optimized electrode tortuosity.However,conventional thick electrodes increase ion diffusion length and cause larger ion concentration gradients,limiting reaction kinetics.We demonstrate a strategy for building interpenetrated structures that shortens ion diffusion length and reduces ion concentration inhomogeneity.This free-standing device structure also avoids short-circuiting without needing a separator.The feature size and number of interpenetrated units can be adjusted during printing to balance surface area and ion diffusion.Starting with a 3D-printed interpenetrated polymer substrate,we metallize it to make it conductive.This substrate has two individually addressable electrodes,allowing selective electrodeposition of energy storage materials.Using a Zn//MnO_(2) battery as a model system,the interpenetrated device outperforms conventional separate electrode configurations,improving volumetric energy density by 221%and exhibiting a higher capacity retention rate of 49%compared to 35%at temperatures from 20 to 0℃.Our study introduces a new EESD architecture applicable to Li-ion,Na-ion batteries,supercapacitors,etc.展开更多
Solid polymer electrolytes(SPEs)have emerged as one of the most promising candidates for the construction of solid-state lithium batteries due to their excellent flexibility,scalability,and interface compatibility wit...Solid polymer electrolytes(SPEs)have emerged as one of the most promising candidates for the construction of solid-state lithium batteries due to their excellent flexibility,scalability,and interface compatibility with electrodes.Herein,a novel all-solid polymer electrolyte(PPLCE)was fabricated by the copolymer network of liquid crystalline monomers and poly(ethylene glycol)dimethacrylate(PEGDMA)acts as a structural frame,combined with poly(ethylene glycol)diglycidyl ether short chain interspersed serving as mobile ion transport entities.The preparaed PPLCEs exhibit excellent mechanical property and out-standing electrochemical performances,which is attributed to their unique three-dimensional cocontinuous structure,characterized by a cross-linked semi-interpenetrating network and an ionic liquid phase,resulting in a distinctive nanostructure with short-range order and long-range disorder.Remarkably,the addition of PEGDMA is proved to be critical to the comprehensive performance of the PPLCEs,which effectively modulates the microscopic morphology of polymer networks and improves the mechanical properties as well as cycling stability of the solid electrolyte.When used in a lithiumion symmetrical battery configuration,the 6 wt%-PPLCE exhibites super stability,sustaining operation for over 2000 h at 30 C,with minimal and consistent overpotential of 50 mV.The resulting Li|PPLCE|LFP solid-state battery demonstrates high discharge specific capacities of 160.9 and 120.1 mA h g^(-1)at current densities of 0.2 and 1 C,respectively.Even after more than 300 cycles at a current density of 0.2 C,it retaines an impressive 73.5%capacity.Moreover,it displayes stable cycling for over 180 cycles at a high current density of 0.5C.The super cycle stability may promote the application for ultralong-life all solid-state lithium metal batteries.展开更多
Constructing heterojunctions and hollow multi-shelled structures can render materials with fascinating physicochemical properties,and have been regarded as two promising strategies to overcome the severe shuttling and...Constructing heterojunctions and hollow multi-shelled structures can render materials with fascinating physicochemical properties,and have been regarded as two promising strategies to overcome the severe shuttling and sluggish kinetics of polysulfide in lithium-sulfur(Li-S)batteries.However,a single strategy can only take limited effect.Modulating catalytic hosts with synergistic effects are urgently desired.Herein,Mn_(3)O_(4)-MnS heterogeneous multi-shelled hollow spheres are meticulously designed by controlled sulfuration of Mn2O3 hollow spheres,and then applied as advanced encapsulation hosts for Li-S batteries.Benefiting from the separated spatial confinement by hollow multi-shelled structure,ample exposed active sites and built-in electric field by heterogeneous interface,and synergistic effects between Mn_(3)O_(4)(strong adsorption)and MnS(fast conversion)components,the assembled battery achieves prominent rate capability and decent cyclability(0.016%decay per cycle at 2 C,1000 cycles).More crucially,satisfactory areal capacity reaches up to 7.1 mAh cm^(-2)even with high sulfur loading(8.0 mg cm^(-2))and lean electrolyte(E/S=4.0 pL mg^(-1))conditions.This work will provide inspiration for the rational design of hollow multi-shelled heterostructure for various electrocatalysis applications.展开更多
Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent ma...Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent materials.In this paper,Ir(bmppy)_(3),tris(4-methyl-2,5-diphenylpyridine)iridium,was synthesized and elvaluted for photo-physical characteristics.Single crystals suitale for X-ray diffraction(XRD)were grown from a mixture solvent of dichloromethane and absolute ethanol.The composition and structur of Ir(bmppy)_(3)were determined by element analysis,NMR spectra and XRD.The complex crystallizes in the monoclinic symmetry with the space group P21/c with a slightly distorted octahedral configuration.As measured by UV-Visible and photoluminescence spectra,Ir(bmppy)_(3) displays a maximum emission at at 527 nm at ambient temperature,a typical green-emitting profile.The complex has potential for application in the OLED industry.展开更多
The impedance matching of absorbers is a vital factor affecting their microwave absorption(MA)properties.In this work,we controllably synthesized Material of Institute Lavoisier 88C(MIL-88C)with varying aspect ratios(...The impedance matching of absorbers is a vital factor affecting their microwave absorption(MA)properties.In this work,we controllably synthesized Material of Institute Lavoisier 88C(MIL-88C)with varying aspect ratios(AR)as a precursor by regulating oil bath conditions,followed by one-step thermal decomposition to obtain carbon-coated iron-based composites.Modifying the precursor MIL-88C(Fe)preparation conditions,such as the molar ratio between metal ions and organic ligands(M/O),oil bath temperature,and oil bath time,influenced the phases,graphitization degree,and AR of the derivatives,enabling low filler loading,achieving well-matched impedance,and ensuring outstanding MA properties.The MOF-derivatives 2(MD_(2))/polyvinylidene Difluoride(PVDF),MD_(3)/PVDF,and MD4/PVDF absorbers all exhibited excellent MA properties with optimal filler loadings below 20 wt%and as low as 5 wt%.The MD_(2)/PVDF(5 wt%)achieved a maximum effective absorption bandwidth(EAB)of 5.52 GHz(1.90 mm).The MD_(3)/PVDF(10 wt%)possessed a minimum reflection loss(RL_(min))value of−67.4 at 12.56 GHz(2.13 mm).A symmetric gradient honeycomb structure(SGHS)was constructed utilizing the high-frequency structure simulator(HFSS)to further extend the EAB,achieving an EAB of 14.6 GHz and a RL_(min) of−59.0 dB.This research offers a viable inspiration to creating structures or materials with high-efficiency MA properties.展开更多
In the traditional process, m-phenylenediamine reacts with fuming sulfuric acid at high temperature to get intermediates, and then after dehydration occurs intramolecular rearrangement to get 2,4-diaminobenzenesulfoni...In the traditional process, m-phenylenediamine reacts with fuming sulfuric acid at high temperature to get intermediates, and then after dehydration occurs intramolecular rearrangement to get 2,4-diaminobenzenesulfonic acid. Traditional methods need to consume a lot of fuming sulfuric acid or concentrated sulfuric acid, resulting in high industrial large-scale production cost, more waste, and posing a serious environmental pollution risk. In this thesis, three different sulfonation reagents were used for the sulfonation reaction of m-phenylenediamine, and the reaction mechanisms and crystal structures of the three pathways were investigated. The three routes are: 1) one-step synthesis of monosulfonated compound 1 from raw material and sulfur trioxide (SO<sub>3</sub>);2) rapid reaction of raw material and chlorosulfonic acid to synthesize bisulfonated compound 2;3) direct eutectic crystallization of raw material and ordinary sulfuric acid to obtain compound 3. The crystal structure of the compounds synthesized by three paths was analyzed by X-ray single crystal diffraction, and compound 1 was characterized by NMR, Fourier infrared spectra, UV-visible spectrum and Mass spectrometry. The one-step synthesis of SO<sub>3</sub> as a sulfonation reagent has the advantages of mild reaction conditions, simple operation and low cost.展开更多
BaTiO_(3)/TiO_(2)@polypyrrole(PPy)composites with hollow multishelled structure(HoMS)were constructed to enhance the electromagnetic wave absorbing properties of BaTiO_(3)-based absorbing material.BaTiO_(3)/TiO_(2)HoM...BaTiO_(3)/TiO_(2)@polypyrrole(PPy)composites with hollow multishelled structure(HoMS)were constructed to enhance the electromagnetic wave absorbing properties of BaTiO_(3)-based absorbing material.BaTiO_(3)/TiO_(2)HoMSs were prepared by hydrothermal crystallization using TiO_(2)Ho MSs as template.Then,FeCl3 was introduced to initiate the oxidative polymerization of pyrrole monomer,forming BaTiO_(3)/TiO_(2)@PPy HoMSs successfully.The electromagnetic wave absorbing properties of BaTiO_(3)/TiO_(2)HoMSs and BaTiO_(3)/TiO_(2)@PPy Ho MSs with different shell number were investigated using a vector network analyzer.The results indicate that BaTiO_(3)/TiO_(2)@PPy HoMSs exhibit improved microwave absorption compared with BaTiO_(3)/TiO_(2)HoMSs.In particular,tripled-shelled BaTiO_(3)/TiO_(2)@PPy HoMS has the most excellent absorbing performance.The best reflection loss can reach up to-21.80 dB at 13.34 GHz with a corresponding absorber thickness of only 1.3 mm,and the qualified absorption bandwidth of tripled-shelled BaTiO_(3)/TiO_(2)@PPy HoMS is up to 4.2 GHz.This work paves a new way for the development of high-performance composite microwave absorbing materials.展开更多
Earthquakes pose a significant threat to people’s property and personal safety.Improving the teaching of civil engineering and building structure anti-seismic design courses can enable students to do a good job in an...Earthquakes pose a significant threat to people’s property and personal safety.Improving the teaching of civil engineering and building structure anti-seismic design courses can enable students to do a good job in anti-seismic design in the future and effectively reduce the damage on buildings caused by earthquakes.In this paper,we analyzed the basic characteristics of a course in civil engineering major,which is Anti-Seismic Design of Building Structures,and the shortcomings of traditional teaching.It is proposed that the 3-degrees and 8-combinations teaching mode of anti-seismic design of building structures can effectively improve students’autonomy and enthusiasm in learning,helps to cultivate professional ethics among students,and improve their ability to apply what they have learned.展开更多
Methods and procedures of three-dimensional (3D) characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional imag...Methods and procedures of three-dimensional (3D) characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size (d50) increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.展开更多
The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated...The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature (Tc) is close to the glass transition point in structure (TgStr).展开更多
The electronic structure,including band structure,density of states (DOS), and partial density of states of SrTi1-xSbxO3 with x = 0,0. 125,0.25,and 0.33 is calculated from the first principles of plane wave ultra-so...The electronic structure,including band structure,density of states (DOS), and partial density of states of SrTi1-xSbxO3 with x = 0,0. 125,0.25,and 0.33 is calculated from the first principles of plane wave ultra-soft pseudo-potential technology based on density function theory. The calculated results reveal that due to the electron doping,the Fermi level moves into the conduction bands for SrTi1-xSbxO3 with x = 0. 125 and the system shows metallic behavior. In addition, the DOS moves towards low energy and the optical band gap is broadened. The wide band gap and the low density of the states in the conduction band result in the transparency of the films.展开更多
基金supported financially by the Fundamental Research Funds for the Central Universities (YWF-22-K-101,YWF-23-L-805 and YWF-23-YG-QB-006)the support from the National Natural Science Foundation of China (12372106)Fundamental Research Funds for the Central Universities
文摘3D printing techniques offer an effective method in fabricating complex radially multi-material structures.However,it is challenging for complex and delicate radially multi-material model geometries without supporting structures,such as tissue vessels and tubular graft,among others.In this work,we tackle these challenges by developing a polar digital light processing technique which uses a rod as the printing platform.The 3D model fabrication is accomplished through line projection.The rotation and translation of the rod are synchronized to project and illuminate the photosensitive material volume.By controlling the distance between the rod and the printing window,we achieved the printing of tubular structures with a minimum wall thickness as thin as 50 micrometers.By controlling the width of fine slits at the printing window,we achieved the printing of structures with a minimum feature size of 10 micrometers.Our process accomplished the fabrication of thin-walled tubular graft structure with a thickness of only 100 micrometers and lengths of several centimeters within a timeframe of just 100 s.Additionally,it enables the printing of axial multi-material structures,thereby achieving adjustable mechanical strength.This method is conducive to rapid customization of tubular grafts and the manufacturing of tubular components in fields such as dentistry,aerospace,and more.
基金supported by the National Natural Science Foundation of China(Grant No.52105577)the Natural Science Foundation of Zhejiang Province(Grant Nos.LQ22E050001 and LQ21E080007)+1 种基金the Natural Science Foundation of Ningbo(Grant Nos.2021J088 and 2023J376)the Ningbo Yongjiang Talent Introduction Program(Grant No.2021A-137-G).
文摘The development of tissue engineering and regeneration research has created new platforms for bone transplantation.However,the preparation of scaffolds with good fiber integrity is challenging,because scaffolds prepared by traditional printing methods are prone to fiber cracking during solvent evaporation.Human skin has an excellent natural heat-management system,which helps to maintain a constant body temperature through perspiration or blood-vessel constriction.In this work,an electrohydrodynamic-jet 3D-printing method inspired by the thermal-management system of skin was developed.In this system,the evaporation of solvent in the printed fibers can be adjusted using the temperature-change rate of the substrate to prepare 3D structures with good structural integrity.To investigate the solvent evaporation and the interlayer bonding of the fibers,finite-element analysis simulations of a three-layer microscale structure were carried out.The results show that the solvent-evaporation path is from bottom to top,and the strain in the printed structure becomes smaller with a smaller temperaturechange rate.Experimental results verified the accuracy of these simulation results,and a variety of complex 3D structures with high aspect ratios were printed.Microscale cracks were reduced to the nanoscale by adjusting the temperature-change rate from 2.5 to 0.5℃s-1.Optimized process parameters were selected to prepare a tissue engineering scaffold with high integrity.It was confirmed that this printed scaffold had good biocompatibility and could be used for bone-tissue regeneration.This simple and flexible 3D-printing method can also help with the preparation of a wide range of micro-and nanostructured sensors and actuators.
基金Funded by the National Key Research and Development Program of China(No.2023YFB3812200)。
文摘A machine learning(ML)-based random forest(RF)classification model algorithm was employed to investigate the main factors affecting the formation of the core-shell structure of BaTiO_(3)-based ceramics and their interpretability was analyzed by using Shapley additive explanations(SHAP).An F1-score changed from 0.8795 to 0.9310,accuracy from 0.8450 to 0.9070,precision from 0.8714 to 0.9000,recall from 0.8929 to 0.9643,and ROC/AUC value of 0.97±0.03 was achieved by the RF classification with the optimal set of features containing only 5 features,demonstrating the high accuracy of our model and its high robustness.During the interpretability analysis of the model,it was found that the electronegativity,melting point,and sintering temperature of the dopant contribute highly to the formation of the core-shell structure,and based on these characteristics,specific ranges were delineated and twelve elements were finally obtained that met all the requirements,namely Si,Sc,Mn,Fe,Co,Ni,Pd,Er,Tm,Lu,Pa,and Cm.In the process of exploring the structure of the core-shell,the doping elements can be effectively localized to be selected by choosing the range of features.
基金supported by the Innovative Research Group Project of the National Natural Science Foundation of China(T2121004)Key Programme(52235007)National Outstanding Youth Foundation of China(52325504).
文摘Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and high mechanical properties.Inspired by Chinese ramen,we propose a universal fabricating method(printing-P,training-T,cross-linking-C,PTC&PCT)for tough hydrogel scaffolds to fill this gap.First,3D printing fabricates a hydrogel scaffold with desired structures(P).Then,the scaffold could have extraordinarily high mechanical properties and functional surface structure by cycle mechanical training with salting-out assistance(T).Finally,the training results are fixed by photo-cross-linking processing(C).The tough gelatin hydrogel scaffolds exhibit excellent tensile strength of 6.66 MPa(622-fold untreated)and have excellent biocompatibility.Furthermore,this scaffold possesses functional surface structures from nanometer to micron to millimeter,which can efficiently induce directional cell growth.Interestingly,this strategy can produce bionic human tissue with mechanical properties of 10 kPa-10 MPa by changing the type of salt,and many hydrogels,such as gelatin and silk,could be improved with PTC or PCT strategies.Animal experiments show that this scaffold can effectively promote the new generation of muscle fibers,blood vessels,and nerves within 4 weeks,prompting the rapid regeneration of large-volume muscle loss injuries.
基金the National Natural Science Foundation of China(Nos.62272063,62072056 and 61902041)the Natural Science Foundation of Hunan Province(Nos.2022JJ30617 and 2020JJ2029)+4 种基金Open Research Fund of Key Lab of Broadband Wireless Communication and Sensor Network Technology,Nanjing University of Posts and Telecommunications(No.JZNY202102)the Traffic Science and Technology Project of Hunan Province,China(No.202042)Hunan Provincial Key Research and Development Program(No.2022GK2019)this work was funded by the Researchers Supporting Project Number(RSPD2023R681)King Saud University,Riyadh,Saudi Arabia.
文摘Internet of Vehicles (IoV) is a new system that enables individual vehicles to connect with nearby vehicles,people, transportation infrastructure, and networks, thereby realizing amore intelligent and efficient transportationsystem. The movement of vehicles and the three-dimensional (3D) nature of the road network cause the topologicalstructure of IoV to have the high space and time complexity.Network modeling and structure recognition for 3Droads can benefit the description of topological changes for IoV. This paper proposes a 3Dgeneral roadmodel basedon discrete points of roads obtained from GIS. First, the constraints imposed by 3D roads on moving vehicles areanalyzed. Then the effects of road curvature radius (Ra), longitudinal slope (Slo), and length (Len) on speed andacceleration are studied. Finally, a general 3D road network model based on road section features is established.This paper also presents intersection and road section recognition methods based on the structural features ofthe 3D road network model and the road features. Real GIS data from a specific region of Beijing is adopted tocreate the simulation scenario, and the simulation results validate the general 3D road network model and therecognitionmethod. Therefore, thiswork makes contributions to the field of intelligent transportation by providinga comprehensive approach tomodeling the 3Droad network and its topological changes in achieving efficient trafficflowand improved road safety.
文摘The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters ofβ-Si_(3)N_(4) were consistent with previous date.The cohesive energy and formation enthalpy show that initialβ-Si_(3)N_(4) has the highest structural stability.The calculated elastic constant and the Voigt-Reuss-Hill approximation indicate that elastic moduli ofβ-Si_(3)N_(4) are slightly reduced by M doping.Based on Poisson’s and Pugh’s ratio,β-Si_(3)N_(4) is a ductile material and the toughness ofβ-Si_(3)N_(4) increases with M doping,and Fe doping exhibited the best toughness.The results of density of states,charge distributions and overlapping populations indicate thatβ-Si_(3)N_(4) has the strong covalent and ionic bond strength between N and Si.
文摘The novelty of this research lies in the successful fabrication of a 3D-printed honeycomb structure filled with nanofillers for acoustic properties,utilizing an impedance tube setup in accordance with ASTM standard E 1050-12.The Creality Ender-3,a 3D printer,was used for printing the honeycomb structures,and polylactic acid(PLA)material was employed for their construction.The organic,inorganic,and polymeric compounds within the composites were identified using fourier transformation infrared(FTIR)spectroscopy.The structure and homogeneity of the samples were examined using a field emission scanning electron microscope(FESEM).To determine the sound absorption coefficient of the 3D printed honeycomb structure,numerous samples were systematically developed using central composite design(CCD)and analysed using response surface methodology(RSM).The RSM mathematical model was established to predict the optimum values of each factor and noise reduction coefficient(NRC).The optimum values for an NRC of 0.377 were found to be 1.116 wt% carbon black,1.025 wt% aluminium powder,and 3.151 mm distance between parallel edges.Overall,the results demonstrate that a 3Dprinted honeycomb structure filled with nanofillers is an excellent material that can be utilized in various fields,including defence and aviation,where lightweight and acoustic properties are of great importance.
基金financially supported by the National Natural Science Foundation of China(No.52175352)the Xing Liao Ying Cai Project of Liaoning Province(No.XLYC2008036)the Shenyang Youth Innovation Talent Support Program(No.RC220429)。
文摘The important supporting component in a gas turbine is the casing,which has the characteristics of large size,complex structure,and thin wall.In the context of existing 3DP sand casting processes,casting crack defects are prone to occur.This leads to an increase in the scrap rate of casings,causing significant resource wastage.Additionally,the presence of cracks poses a significant safety hazard after the casings are put into service.The generation of different types of crack defects in stainless steel casings is closely related to casting stress and the high-temperature concession of the sand mold.Therefore,the types and causes of cracks in stainless steel casing products,based on their structural characteristics,were systematically analyzed.Various sand molds with different internal topology designs were printed using the 3DP technology to investigate the impact of sand mold structures on high-temperature concession.The optimal sand mold structure was used to cast casings,and the crack suppression effect was verified by analyzing its eddy current testing results.The experimental results indicate that the skeleton structure has an excellent effect on suppressing cracks in the casing.This research holds important theoretical and engineering significance in improving the quality of casing castings and reducing production costs.
基金funded by the Natural Science Foundation of Shandong Province, China (ZR2023MB049)the China Postdoctoral Science Foundation (2020M670483)the Science Foundation of Weifang University (2023BS11)。
文摘The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.
基金financial support from the Center for Coastal Climate Resilience of the University of California,Santa Cruz(UCSC)This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract No.DE-AC52-07NA27344 and supported by Laboratory Directed Research and Development award 23-SI-002.IM release number:LLNL-JRNL-862347。
文摘The architectural design of electrodes offers new opportunities for next-generation electrochemical energy storage devices(EESDs)by increasing surface area,thickness,and active materials mass loading while maintaining good ion diffusion through optimized electrode tortuosity.However,conventional thick electrodes increase ion diffusion length and cause larger ion concentration gradients,limiting reaction kinetics.We demonstrate a strategy for building interpenetrated structures that shortens ion diffusion length and reduces ion concentration inhomogeneity.This free-standing device structure also avoids short-circuiting without needing a separator.The feature size and number of interpenetrated units can be adjusted during printing to balance surface area and ion diffusion.Starting with a 3D-printed interpenetrated polymer substrate,we metallize it to make it conductive.This substrate has two individually addressable electrodes,allowing selective electrodeposition of energy storage materials.Using a Zn//MnO_(2) battery as a model system,the interpenetrated device outperforms conventional separate electrode configurations,improving volumetric energy density by 221%and exhibiting a higher capacity retention rate of 49%compared to 35%at temperatures from 20 to 0℃.Our study introduces a new EESD architecture applicable to Li-ion,Na-ion batteries,supercapacitors,etc.
基金supported by the National Natural Science Foundation of China(52003293,51927806,52272258)the Fundamental Research Funds for the Central Universities(2023ZKPYJD07)the Beijing Nova Program(20220484214).
文摘Solid polymer electrolytes(SPEs)have emerged as one of the most promising candidates for the construction of solid-state lithium batteries due to their excellent flexibility,scalability,and interface compatibility with electrodes.Herein,a novel all-solid polymer electrolyte(PPLCE)was fabricated by the copolymer network of liquid crystalline monomers and poly(ethylene glycol)dimethacrylate(PEGDMA)acts as a structural frame,combined with poly(ethylene glycol)diglycidyl ether short chain interspersed serving as mobile ion transport entities.The preparaed PPLCEs exhibit excellent mechanical property and out-standing electrochemical performances,which is attributed to their unique three-dimensional cocontinuous structure,characterized by a cross-linked semi-interpenetrating network and an ionic liquid phase,resulting in a distinctive nanostructure with short-range order and long-range disorder.Remarkably,the addition of PEGDMA is proved to be critical to the comprehensive performance of the PPLCEs,which effectively modulates the microscopic morphology of polymer networks and improves the mechanical properties as well as cycling stability of the solid electrolyte.When used in a lithiumion symmetrical battery configuration,the 6 wt%-PPLCE exhibites super stability,sustaining operation for over 2000 h at 30 C,with minimal and consistent overpotential of 50 mV.The resulting Li|PPLCE|LFP solid-state battery demonstrates high discharge specific capacities of 160.9 and 120.1 mA h g^(-1)at current densities of 0.2 and 1 C,respectively.Even after more than 300 cycles at a current density of 0.2 C,it retaines an impressive 73.5%capacity.Moreover,it displayes stable cycling for over 180 cycles at a high current density of 0.5C.The super cycle stability may promote the application for ultralong-life all solid-state lithium metal batteries.
基金The support from the National Natural Science Foundation of China(No.51971083)the Natural Science Foundation of Heilongjiang Province,China(YQ 2020E007)is gratefully acknowledgedfinancially sponsored by Heilongjiang Touyan Team Program.
文摘Constructing heterojunctions and hollow multi-shelled structures can render materials with fascinating physicochemical properties,and have been regarded as two promising strategies to overcome the severe shuttling and sluggish kinetics of polysulfide in lithium-sulfur(Li-S)batteries.However,a single strategy can only take limited effect.Modulating catalytic hosts with synergistic effects are urgently desired.Herein,Mn_(3)O_(4)-MnS heterogeneous multi-shelled hollow spheres are meticulously designed by controlled sulfuration of Mn2O3 hollow spheres,and then applied as advanced encapsulation hosts for Li-S batteries.Benefiting from the separated spatial confinement by hollow multi-shelled structure,ample exposed active sites and built-in electric field by heterogeneous interface,and synergistic effects between Mn_(3)O_(4)(strong adsorption)and MnS(fast conversion)components,the assembled battery achieves prominent rate capability and decent cyclability(0.016%decay per cycle at 2 C,1000 cycles).More crucially,satisfactory areal capacity reaches up to 7.1 mAh cm^(-2)even with high sulfur loading(8.0 mg cm^(-2))and lean electrolyte(E/S=4.0 pL mg^(-1))conditions.This work will provide inspiration for the rational design of hollow multi-shelled heterostructure for various electrocatalysis applications.
文摘Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent materials.In this paper,Ir(bmppy)_(3),tris(4-methyl-2,5-diphenylpyridine)iridium,was synthesized and elvaluted for photo-physical characteristics.Single crystals suitale for X-ray diffraction(XRD)were grown from a mixture solvent of dichloromethane and absolute ethanol.The composition and structur of Ir(bmppy)_(3)were determined by element analysis,NMR spectra and XRD.The complex crystallizes in the monoclinic symmetry with the space group P21/c with a slightly distorted octahedral configuration.As measured by UV-Visible and photoluminescence spectra,Ir(bmppy)_(3) displays a maximum emission at at 527 nm at ambient temperature,a typical green-emitting profile.The complex has potential for application in the OLED industry.
基金financially supported by the National Natural Science Foundation of China(51972049,52073010,and 52373259)the Projects of the Science and Technology Department of Jilin Province(20230201132GX)the Projects of the Education Department of Jilin Province(JJKH20220123KJ)。
文摘The impedance matching of absorbers is a vital factor affecting their microwave absorption(MA)properties.In this work,we controllably synthesized Material of Institute Lavoisier 88C(MIL-88C)with varying aspect ratios(AR)as a precursor by regulating oil bath conditions,followed by one-step thermal decomposition to obtain carbon-coated iron-based composites.Modifying the precursor MIL-88C(Fe)preparation conditions,such as the molar ratio between metal ions and organic ligands(M/O),oil bath temperature,and oil bath time,influenced the phases,graphitization degree,and AR of the derivatives,enabling low filler loading,achieving well-matched impedance,and ensuring outstanding MA properties.The MOF-derivatives 2(MD_(2))/polyvinylidene Difluoride(PVDF),MD_(3)/PVDF,and MD4/PVDF absorbers all exhibited excellent MA properties with optimal filler loadings below 20 wt%and as low as 5 wt%.The MD_(2)/PVDF(5 wt%)achieved a maximum effective absorption bandwidth(EAB)of 5.52 GHz(1.90 mm).The MD_(3)/PVDF(10 wt%)possessed a minimum reflection loss(RL_(min))value of−67.4 at 12.56 GHz(2.13 mm).A symmetric gradient honeycomb structure(SGHS)was constructed utilizing the high-frequency structure simulator(HFSS)to further extend the EAB,achieving an EAB of 14.6 GHz and a RL_(min) of−59.0 dB.This research offers a viable inspiration to creating structures or materials with high-efficiency MA properties.
文摘In the traditional process, m-phenylenediamine reacts with fuming sulfuric acid at high temperature to get intermediates, and then after dehydration occurs intramolecular rearrangement to get 2,4-diaminobenzenesulfonic acid. Traditional methods need to consume a lot of fuming sulfuric acid or concentrated sulfuric acid, resulting in high industrial large-scale production cost, more waste, and posing a serious environmental pollution risk. In this thesis, three different sulfonation reagents were used for the sulfonation reaction of m-phenylenediamine, and the reaction mechanisms and crystal structures of the three pathways were investigated. The three routes are: 1) one-step synthesis of monosulfonated compound 1 from raw material and sulfur trioxide (SO<sub>3</sub>);2) rapid reaction of raw material and chlorosulfonic acid to synthesize bisulfonated compound 2;3) direct eutectic crystallization of raw material and ordinary sulfuric acid to obtain compound 3. The crystal structure of the compounds synthesized by three paths was analyzed by X-ray single crystal diffraction, and compound 1 was characterized by NMR, Fourier infrared spectra, UV-visible spectrum and Mass spectrometry. The one-step synthesis of SO<sub>3</sub> as a sulfonation reagent has the advantages of mild reaction conditions, simple operation and low cost.
基金supported by the National Natural Science Foundation of China(Nos.51972305,21820102002,21931012,51932001,and 51872024)。
文摘BaTiO_(3)/TiO_(2)@polypyrrole(PPy)composites with hollow multishelled structure(HoMS)were constructed to enhance the electromagnetic wave absorbing properties of BaTiO_(3)-based absorbing material.BaTiO_(3)/TiO_(2)HoMSs were prepared by hydrothermal crystallization using TiO_(2)Ho MSs as template.Then,FeCl3 was introduced to initiate the oxidative polymerization of pyrrole monomer,forming BaTiO_(3)/TiO_(2)@PPy HoMSs successfully.The electromagnetic wave absorbing properties of BaTiO_(3)/TiO_(2)HoMSs and BaTiO_(3)/TiO_(2)@PPy Ho MSs with different shell number were investigated using a vector network analyzer.The results indicate that BaTiO_(3)/TiO_(2)@PPy HoMSs exhibit improved microwave absorption compared with BaTiO_(3)/TiO_(2)HoMSs.In particular,tripled-shelled BaTiO_(3)/TiO_(2)@PPy HoMS has the most excellent absorbing performance.The best reflection loss can reach up to-21.80 dB at 13.34 GHz with a corresponding absorber thickness of only 1.3 mm,and the qualified absorption bandwidth of tripled-shelled BaTiO_(3)/TiO_(2)@PPy HoMS is up to 4.2 GHz.This work paves a new way for the development of high-performance composite microwave absorbing materials.
文摘Earthquakes pose a significant threat to people’s property and personal safety.Improving the teaching of civil engineering and building structure anti-seismic design courses can enable students to do a good job in anti-seismic design in the future and effectively reduce the damage on buildings caused by earthquakes.In this paper,we analyzed the basic characteristics of a course in civil engineering major,which is Anti-Seismic Design of Building Structures,and the shortcomings of traditional teaching.It is proposed that the 3-degrees and 8-combinations teaching mode of anti-seismic design of building structures can effectively improve students’autonomy and enthusiasm in learning,helps to cultivate professional ethics among students,and improve their ability to apply what they have learned.
基金Projects(50934002,51074013,51304076,51104100)supported by the National Natural Science Foundation of ChinaProject(IRT0950)supported by the Program for Changjiang Scholars Innovative Research Team in Universities,ChinaProject(2012M510007)supported by China Postdoctoral Science Foundation
文摘Methods and procedures of three-dimensional (3D) characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size (d50) increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.
基金Project (51101022) supported by the National Natural Science Foundation of ChinaProject (CHD2012JC096) supported by the Fundamental Research Funds for the Central Universities,China
文摘The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature (Tc) is close to the glass transition point in structure (TgStr).
文摘The electronic structure,including band structure,density of states (DOS), and partial density of states of SrTi1-xSbxO3 with x = 0,0. 125,0.25,and 0.33 is calculated from the first principles of plane wave ultra-soft pseudo-potential technology based on density function theory. The calculated results reveal that due to the electron doping,the Fermi level moves into the conduction bands for SrTi1-xSbxO3 with x = 0. 125 and the system shows metallic behavior. In addition, the DOS moves towards low energy and the optical band gap is broadened. The wide band gap and the low density of the states in the conduction band result in the transparency of the films.