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The Application of Bilayer Artificial Dermis Combined with VSD Technology in Chronic Wounds 被引量:1
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作者 Xianjin Dong Huasong Luo 《Journal of Biosciences and Medicines》 2024年第3期238-244,共7页
Background: Bilayer artificial dermis promotes wound healing and offers a treatment option for chronic wounds. Aim: Examine the clinical efficacy of bilayer artificial dermis combined with Vacuum Sealing Drainage (VSD... Background: Bilayer artificial dermis promotes wound healing and offers a treatment option for chronic wounds. Aim: Examine the clinical efficacy of bilayer artificial dermis combined with Vacuum Sealing Drainage (VSD) technology in the treatment of chronic wounds. Method: From June 2021 to December 2023, our hospital treated 24 patients with chronic skin tissue wounds on their limbs using a novel tissue engineering product, the bilayer artificial dermis, in combination with VSD technology to repair the wounds. The bilayer artificial dermis protects subcutaneous tissue, blood vessels, nerves, muscles, and tendons, and also promotes the growth of granulation tissue and blood vessels to aid in wound healing when used in conjunction with VSD technology for wound dressing changes in chronic wounds. Results: In this study, 24 cases of chronic wounds with exposed bone or tendon larger than 1.0 cm2 were treated with a bilayer artificial skin combined with VSD dressing after wound debridement. The wounds were not suitable for immediate skin grafting. At 2 - 3 weeks post-treatment, good granulation tissue growth was observed. Subsequent procedures included thick skin grafting or wound dressing changes until complete wound healing. Patients were followed up on average for 3 months (range: 1 - 12 months) post-surgery. Comparative analysis of the appearance, function, skin color, elasticity, and sensation of the healed chronic wounds revealed superior outcomes compared to traditional skin fl repairs, resulting in significantly higher satisfaction levels among patients and their families. Conclusion: The application of bilayer artificial dermis combined with VSD technology for the repair of chronic wounds proves to be a viable method, yielding satisfactory therapeutic effects compared to traditional skin flap procedures. 展开更多
关键词 bilayer Artificial Dermis Vacuum Sealing Drainage (VSD) Chronic Wounds Wound Healing APPLICATION
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Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer
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作者 徐耀 黄舒伟 +1 位作者 丁泓铭 马余强 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期512-521,共10页
Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and scalability.However,... Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and scalability.However,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains elusive.In this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid bilayer.Our findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head groups.Notably,ssRNA exhibited stronger binding energy than ssDNA.Furthermore,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from phospholipids.Overall,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers. 展开更多
关键词 RNA DNA lipid bilayer molecular dynamics interface interaction divalent cation
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Valley-dependent transport in a mescoscopic twisted bilayer graphene device
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作者 史文萱 刘翰林 汪军 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期61-65,共5页
We study the valley-dependent electron transport in a four-terminal mesoscopic device of the two monolayer graphene nanoribbons vertically stacked together, where the intersection forms a bilayer graphene lattice with... We study the valley-dependent electron transport in a four-terminal mesoscopic device of the two monolayer graphene nanoribbons vertically stacked together, where the intersection forms a bilayer graphene lattice with a controllable twist angle. Using a tight-binding lattice model, we show that the longitudinal and transverse conductances exhibit significant valley polarization in the low energy regime for small twist angles. As the twist angle increases, the valley polarization shifts to the high energy regime. This arises from the regrouping effect of the electron band in the twisted bilayer graphene region. But for relatively large twist angles, no significant valley polarization is observed. These results are consistent with the spectral densities of the twisted bilayer graphene. 展开更多
关键词 twisted bilayer graphene valley-dependent transport graphene nanoribbon CONDUCTANCE
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Bilayer separator enabling dendrite-free zinc anode with ultralong lifespan >5000 h
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作者 Lu Wang Feifei Wang +5 位作者 Zhe Ding Yingxin Liu Ziyi Zhang Chunpeng Yang Kian Ping Loh Quan-Hong Yang 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第4期771-776,共6页
Aqueous zinc(Zn)batteries with Zn metal anodes are promising clean energy storage devices with intrinsic safety and low cost.However,Zn dendrite growth severely restricts the use of Zn anodes.To effectively suppress Z... Aqueous zinc(Zn)batteries with Zn metal anodes are promising clean energy storage devices with intrinsic safety and low cost.However,Zn dendrite growth severely restricts the use of Zn anodes.To effectively suppress Zn dendrite growth,we propose a bilayer separator consisting of commercial butter paper and glassfiber membrane.The dense cellulose-based butter paper(BP)with low zincophilicity and high mechanical properties prevents the pore-filling behavior of deposited Zn and related separator piercing,effectively suppressing the Zn dendrite growth.As a result,the bilayer separators endow the ZnjjZn symmetrical batteries with a superlong cycling life of Zn anodes(over 5000 h)at 0.5 mA cm^(-2) and the full batteries enhanced capacity retention,demonstrating the advancement of the bilayer separator to afford excellent cyclability of aqueous metal batteries. 展开更多
关键词 Zn battery bilayer separator Butter paper Zn metal anode Zn dendrite
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Experimental investigation of omnidirectional multiphysics bilayer invisibility cloak with anisotropic geometry
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作者 丰火雷 张兴伟 +2 位作者 周利敏 张悦凯 倪玉山 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第3期649-658,共10页
Thermal-electric bilayer invisibility cloak can prevent the heat flux and electric current from touching the object without distorting the external temperature and electric potential fields simultaneously.In this pape... Thermal-electric bilayer invisibility cloak can prevent the heat flux and electric current from touching the object without distorting the external temperature and electric potential fields simultaneously.In this paper,we design an omnidirectional thermal-electric invisibility cloak with anisotropic geometry.Based on the theory of neutral inclusion,the anisotropic effective thermal and electric conductivities of confocal elliptical bilayer core-shell structure are derived,thus obtaining the anisotropic matrix material to eliminate the external disturbances omnidirectionally.The inner shell of the cloak is selected as an insulating material to shield the heat flux and electric current.Then,the omnidirectional thermal-electric cloaking effect is verified numerically and experimentally based on the theoretical anisotropic matrix and manufactured composite structure,respectively.Furthermore,we achieve the thermal-electric cloaking effect under a specific direction of heat flux and electric current using the isotropic natural materials to broaden the selection range of materials.The method proposed to eliminate anisotropy and achieve the omnidirectional effect could also be expanded to other different physical fields for the metadevices with different functions. 展开更多
关键词 omni-directionality MULTIPHYSICS bilayer confocal ellipse invisibility cloak
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Effect of interlayer bonded bilayer graphene on friction
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作者 李耀隆 田振国 +1 位作者 尹海峰 张任良 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期389-395,共7页
We study the friction properties of interlayer bonded bilayer graphene by simulating the movement of a slider on the surface of bilayer graphene using molecular dynamics.The results show that the presence of the inter... We study the friction properties of interlayer bonded bilayer graphene by simulating the movement of a slider on the surface of bilayer graphene using molecular dynamics.The results show that the presence of the interlayer covalent bonds due to the local sp^(3) hybridization of carbon atoms in the bilayer graphene seriously reduces the frictional coefficient of the bilayer graphene surface to 30%,depending on the coverage of interlayer sp^(3) bonds and normal loads.For a certain coverage of interlayer sp3bonds,when the normal load of the slider reaches a certain value,the surface of this interlayer bonded bilayer graphene will lose the friction reduction effect on the slider.Our findings provide guidance for the regulation and manipulation of the frictional properties of bilayer graphene surfaces through interlayer covalent bonds,which may be useful for applications of friction related graphene based nanodevices. 展开更多
关键词 nanoscale friction molecular dynamic simulation bilayer graphene interlayer covalent bond
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Spin-polarized pairing induced by the magnetic field in the Bernal bilayer graphene
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作者 黄妍 周涛 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期650-654,共5页
Recent experimental findings have demonstrated the occurrence of superconductivity in Bernal bilayer graphene when induced by a magnetic field.In this study,we conduct a theoretical investigation of the potential pair... Recent experimental findings have demonstrated the occurrence of superconductivity in Bernal bilayer graphene when induced by a magnetic field.In this study,we conduct a theoretical investigation of the potential pairing symmetry within this superconducting system.By developing a theoretical model,we primarily calculate the free energy of the system with p+ip-wave parallel spin pairing,p+ip-wave anti-parallel spin pairing and d+i d-wave pairing symmetry.Our results confirm that the magnetic field is indeed essential for generating the superconductivity.We discover that the p+ip-wave parallel spin pairing leads to a lower free energy for the system.The numerical calculations of the energy band structure,zero-energy spectral function and density of states for each of the three pairing symmetries under consideration show a strong consistency with the free energy results. 展开更多
关键词 SUPERCONDUCTIVITY magnetic field induction pairing symmetry Bernal bilayer graphene
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Simulation of magnetization process and Faraday effect of magnetic bilayer films
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作者 Sheng Gao An Du +2 位作者 Lei Zhang Tian-Guang Li Da-Cheng Ma 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第9期590-597,共8页
We described ferromagnetic film and bilayer films composed of two ferromagnetic layers coupled through antiferromagnetic interfacial interaction by classical Heisenberg model and simulated their magnetization state,ma... We described ferromagnetic film and bilayer films composed of two ferromagnetic layers coupled through antiferromagnetic interfacial interaction by classical Heisenberg model and simulated their magnetization state,magnetic permeability,and Faraday effect at zero and finite temperature by using the Landau–Lifshitz–Gilbert(LLG)equation.The results indicate that in a microwave field with positive circular polarization,the ferromagnetic film has one resonance peak while the bilayer film has two resonance peaks.However,the resonance peak disappears in ferromagnetic film,and only one resonance peak emerges in bilayer film in the negative circularly polarized microwave field.When the microwave field’s frequency exceeds the film’s resonance frequency,the Faraday rotation angle of the ferromagnetic film is the greatest,and it decreases when the thickness of the two halves of the bilayer is reduced.When the microwave field’s frequency remains constant,the Faraday rotation angle fluctuates with temperature in the same manner as spontaneous magnetization does.When a DC magnetic field is applied in the direction of the anisotropic axis of the film,the Faraday rotation angle varies with the DC magnetic field and shows a similar shape of the hysteresis loop. 展开更多
关键词 magnetic bilayer films magnetic permeability hysteresis loop Faraday effect Landau-Lifshitz-Gilbert(LLG)equation
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Wafer-scale 30°twisted bilayer graphene epitaxially grown on Cu_(0.75)Ni_(0.25)(111)
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作者 马鹏程 张翱 +10 位作者 甄洪润 江志诚 杨逸尘 丁建阳 刘正太 刘吉山 沈大伟 于庆凯 刘丰 张学富 刘中灏 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第6期467-471,共5页
Twisted bilayer graphene(TBG) has been extensively studied because of its novel physical properties and potential application in electronic devices.Here we report the synthesis and characterization of 300 TBG naturall... Twisted bilayer graphene(TBG) has been extensively studied because of its novel physical properties and potential application in electronic devices.Here we report the synthesis and characterization of 300 TBG naturally grown on Cu_(0.75)Ni_(0.25)(111) film and investigate the electronic structure by angle-resolved photoemission spectroscopy.Compared with other substrates,our TBG with a wafer scale is acquired with a shorter growth time.The Fermi velocity and energy gap of Dirac cones of TBG are comparable with those of a monolayer on Cu_(0.85)Ni_(0.15)(111).The signature of moré lattices has not been observed in either the low-energy electron diffraction patterns or the Fermi surface map within experimental resolution,possibly due to different Cu and Ni contents in the substrates enhancing the different couplings between the substrate and the first/second layers and hindering the formation of a quasiperiodic structure. 展开更多
关键词 twisted bilayer graphene electronic structure Cu/Ni(111)
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Stacking-dependent exchange bias in two-dimensional ferromagnetic/antiferromagnetic bilayers
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作者 李慧平 潘帅唯 +2 位作者 王喆 向斌 朱文光 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期708-714,共7页
A clear microscopic understanding of exchange bias is crucial for its application in magnetic recording, and further progress in this area is desired. Based on the results of our first-principles calculations and Mont... A clear microscopic understanding of exchange bias is crucial for its application in magnetic recording, and further progress in this area is desired. Based on the results of our first-principles calculations and Monte Carlo simulations,we present a theoretical proposal for a stacking-dependent exchange bias in two-dimensional compensated van der Waals ferromagnetic/antiferromagnetic bilayer heterostructures. The exchange bias effect emerges in stacking registries that accommodate inhomogeneous interlayer magnetic interactions between the ferromagnetic layer and different spin sublattices of the antiferromagnetic layer. Moreover, the on/off switching and polarity reversal of the exchange bias can be achieved by interlayer sliding, and the strength can be modulated using an external electric field. Our findings push the limits of exchange bias systems to extreme bilayer thickness in two-dimensional van der Waals heterostructures, potentially stimulating new experimental investigations and applications. 展开更多
关键词 exchange bias two-dimensional ferromagnetic/antiferromagnetic bilayers asymmetric magnetic interaction
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Numerical Study of Optimization of Layer Thickness in Bilayer Organic Light-Emitting Diodes 被引量:3
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作者 彭应全 张磊 张旭 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2003年第5期454-460,共7页
A numerical model for bilayer organic light-emitting diodes (OLEDs) is developed under the basis of trapped charge limited conduction.The dependences of the current density on the layer thickness,trap properties and c... A numerical model for bilayer organic light-emitting diodes (OLEDs) is developed under the basis of trapped charge limited conduction.The dependences of the current density on the layer thickness,trap properties and carrier mobility of the hole transport layer (HTL) and emission layer (EML) in bilayer OLEDs of the structure anode/HTL/EML/cathode are numerically investigated.It is found that,for given values of the total thickness of organic layers,reduced depth of trap,total density of trap,and carrier mobility of HTL as well as EML,there exists an optimal thickness ratio of HTL to EML,by which a maximal quantum efficiency can be achieved.Through optimization of the thickness ratio,an enhancement of current density and quantum efficiency of as much as two orders of magnitude can be obtained.The dependences of the optimal thickness ratio to the characteristic trap energy,total density of trap and carrier mobility are numerically analyzed. 展开更多
关键词 organic light-emitting diodes bilayer OPTIMIZATION
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Compound Metformin/Glipizide Bilayer Extended Release Tablets: Development and in Vitro Release 被引量:1
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作者 欧阳德方 聂淑芳 +3 位作者 孟晋 杨星钢 宋志全 潘卫三 《Journal of Chinese Pharmaceutical Sciences》 CAS 2005年第3期169-172,共4页
Aim In this study, compound metformin/glipizide bilayer extended release tablets were formulated with hydroxypropyl methylcellulose (HPMC) by wet granulation technique in order to tackle the problems associated with... Aim In this study, compound metformin/glipizide bilayer extended release tablets were formulated with hydroxypropyl methylcellulose (HPMC) by wet granulation technique in order to tackle the problems associated with the muhidrug therapy of non-insulin dependent diabetes mellitus. Me^ls High-dose metformin is difficult to formulate into a tablet dosage form due to its poor compressibility and compactibility. In this study, the way to overcome the difficulty was to utilize stearic alcohol to prepare the tablet formulation. The influences of viscosity, amount of HPMC, and weight of fillers were investigated. The optimal formulation had acceptable physicochemical properties and released metformin and glipizide over 10 h. Results The data of metformin obtained from in vitro release fitted Higuchi kinetics best, while the release of glipizide in vitro was found to follow zero kinetics. Conclusion Compound metformin/glipizide bilayer extended release tablets have been successfully developed. 展开更多
关键词 METFORMIN GLIPIZIDE extended release bilayer tablet stearic alcohol
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OTFT with Bilayer Gate Insulator and Modificative Electrode
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作者 白钰 哈克 +2 位作者 鲁富翰 蒋雪茵 张志林 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2008年第4期650-654,共5页
An organic thin-film transistor (OTFT) with an OTS/SiO2 bilayer gate insulator and a MoO3/AI electrode configuration between gate insulator and source/drain electrodes has been investigated. A thermally grown SiO2 l... An organic thin-film transistor (OTFT) with an OTS/SiO2 bilayer gate insulator and a MoO3/AI electrode configuration between gate insulator and source/drain electrodes has been investigated. A thermally grown SiO2 layer is used as the OTFT gate dielectric and copper phthalocyanine(CuPc) is used as an active layer. This OTS/SiO2 bilayer gate insulator configuration increases the field-effect mobility, reduces the threshold voltage, and improves the on/off ratio simultaneously. The device with a MoO3/Al electrode has shown similar Ids compared to the device with an Au electrode at the same gate voltage. Our results indicate that using a double-layer of electrodes and a double-layer of insulators is an effective way to improve OTFT performance. 展开更多
关键词 organic thin film transistor modified electrode bilayer insulator MOBILITY
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Complicated deformation simulating on temperature-driven 4D printed bilayer structures based on reduced bilayer plate model 被引量:1
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作者 Junjie SONG Yixiong FENG +4 位作者 Yong WANG Siyuan ZENG Zhaoxi HONG Hao QIU Jianrong TAN 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2021年第11期1619-1632,共14页
The four-dimensional(4D) printing technology, as a combination of additive manufacturing and smart materials, has attracted increasing research interest in recent years. The bilayer structures printed with smart mater... The four-dimensional(4D) printing technology, as a combination of additive manufacturing and smart materials, has attracted increasing research interest in recent years. The bilayer structures printed with smart materials using this technology can realize complicated deformation under some special stimuli due to the material properties.The deformation prediction of bilayer structures can make the design process more rapid and thus is of great importance. However, the previous works on deformation prediction of bilayer structures rarely study the complicated deformations or the influence of the printing process on deformation. Thus, this paper proposes a new method to predict the complicated deformations of temperature-sensitive 4D printed bilayer structures,in particular to the bilayer structures based on temperature-driven shape-memory polymers(SMPs) and fabricated using the fused deposition modeling(FDM) technology. The programming process to the material during printing is revealed and considered in the simulation model. Simulation results are compared with experiments to verify the validity of the method. The advantages of this method are stable convergence and high efficiency,as the three-dimensional(3D) problem is converted to a two-dimensional(2D) problem.The simulation parameters in the model can be further associated with the printing parameters, which shows good application prospect in 4D printed bilayer structure design. 展开更多
关键词 reduced bilayer plate model four-dimensional(4D)printing temperature-driven shape-memory polymer(SMP) bilayer structure complicated deformation simulating
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X-Ray Diffraction Study of Plasma Exposed and Annealed AlSb Bilayer Thin Film 被引量:1
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作者 T. Abdul KAREEM A. Anu KALIANI 《Plasma Science and Technology》 SCIE EI CAS CSCD 2013年第4期382-385,共4页
Aluminum antimony seems to be a promising semiconducting material for high temperature applications, especially for transistors and P-N junction diodes. Additionally, it is a highly efficient solar material. This pape... Aluminum antimony seems to be a promising semiconducting material for high temperature applications, especially for transistors and P-N junction diodes. Additionally, it is a highly efficient solar material. This paper discusses the plasma induced bilayer diffusion of A1Sb bilayer thin films using X-ray diffractogram. A1Sb bilayer thin films were prepared on a glass substrate by vacuum evaporation technique. The effect of plasma exposure time and annealing temperature on the micro-structural parameters were investigated. X-ray diffraction studies show that the cubic crystals of A1 orient along the (111) plane and the hexagonal crystals of Sb orient along the (003) plane. Newly formed cubic crystals of A1Sb are oriented along the (200) plane and they are formed due to the simultaneous growth of A1 and Sb crystals during plasma exposure. 展开更多
关键词 Aluminum antimony bilayer plasma exposure bilayer mixing
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Design and characterization of Ti6Al4V/20CoCrMo−highly porous Ti6Al4V biomedical bilayer processed by powder metallurgy 被引量:6
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作者 E.MIHALCEA H.J.VERGARA-HERNÁNDEZ +3 位作者 O.JIMENEZ L.OLMOS J.CHÁVEZ D.ARTEAGA 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2021年第1期178-192,共15页
The aim of this work was to develop a Ti6Al4V/20CoCrMo−highly porous Ti6Al4V bilayer for biomedical applications.Conventional powder metallurgy technique,with semi-solid state sintering as consolidation step,was emplo... The aim of this work was to develop a Ti6Al4V/20CoCrMo−highly porous Ti6Al4V bilayer for biomedical applications.Conventional powder metallurgy technique,with semi-solid state sintering as consolidation step,was employed to fabricate samples with a compact top layer and a porous bottom layer to better mimic natural bone.The densification behavior of the bilayer specimen was studied by dilatometry and the resulting microstructure was observed by scan electron microscopy(SEM)and computed microtomography(CMT),while the mechanical properties and corrosion resistance were evaluated by compression and potentiodynamic tests,respectively.The results indicate that bilayer samples without cracks were obtained at the interface which has no negative impact on the densification.Permeability values of the highly porous layer were in the lower range of those of human bones.The compression behavior is dictated by the highly porous Ti6Al4V layer.Additionally,the corrosion resistance of Ti6Al4V/20CoCrMo is better than that of Ti6Al4V,which improves the performance of the bilayer sample.This work provides an insight into the important aspects of a bilayer fabrication by powder metallurgy and properties of Ti6Al4V/20CoCrMo−highly porous Ti6Al4V structure,which can potentially benefit the production of customized implants with improved wear performance and increased in vivo lifetime. 展开更多
关键词 bilayer structure composites POROSITY sintering permeability compression behavior corrosion
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Buckling-controlled two-way shape memory effect in a ring-shaped bilayer 被引量:4
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作者 Hao Li Xiaoyan Liang Weibin Song 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2019年第6期1217-1225,共9页
Shape memory polymers(SMPs)usually have a one-way shape memory effect.In this paper,an easy-operating method to realize a two-way shape memory effect was demonstrated in a ring-shaped bilayer structure where the two l... Shape memory polymers(SMPs)usually have a one-way shape memory effect.In this paper,an easy-operating method to realize a two-way shape memory effect was demonstrated in a ring-shaped bilayer structure where the two layers are SMPs with different thermal transition temperatures.By designing specific thermomechanical processes,the mismatched deformation between the two layers leads to a morphology change of ring-shaped bilayer structures from a smooth ring to a gear-like buckling shape under cooling and a reversible recovery to the smooth shape under heating.Such a morphology change is ascribed to occurrence and recovery of thermoelastic buckling.This method was validated by finite element simulation.We experimentally investigated the influence of pre-strain on buckling,and it was found that both the buckling occurrence and recovery temperature vary with pre-strain.Furthermore,considering a ring-shaped SMP-SMP bilayer structure,finite element analysis was conducted to study the influence of film thickness and modulus ratio of two layers on buckling behavior.The results showed that the critical buckling wavelength was greatly influenced by film thickness and modulus ratio.W e made a theoretical analysis that accorded well with the numerical results. 展开更多
关键词 Shape memory polymers Two-way shape memory effect BUCKLING Ring-shaped bilayer
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Electronic structures and elastic properties of monolayer and bilayer transition metal dichalcogenides MX_2(M= Mo,W;X= O,S,Se,Te):A comparative first-principles study 被引量:5
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作者 曾范 张卫兵 唐壁玉 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第9期436-443,共8页
First-principle calculations with different exchange-correlation functionals, including LDA, PBE, and vd W-DF functional in the form of opt B88-vd W, have been performed to investigate the electronic and elastic prope... First-principle calculations with different exchange-correlation functionals, including LDA, PBE, and vd W-DF functional in the form of opt B88-vd W, have been performed to investigate the electronic and elastic properties of twodimensional transition metal dichalcogenides(TMDCs) with the formula of MX2(M = Mo, W; X = O, S, Se, Te) in both monolayer and bilayer structures. The calculated band structures show a direct band gap for monolayer TMDCs at the K point except for MoO2 and WO2. When the monolayers are stacked into a bilayer, the reduced indirect band gaps are found except for bilayer WTe2, in which the direct gap is still present at the K point. The calculated in-plane Young moduli are comparable to that of graphene, which promises possible application of TMDCs in future flexible and stretchable electronic devices. We also evaluated the performance of different functionals including LDA, PBE, and opt B88-vd W in describing elastic moduli of TMDCs and found that LDA seems to be the most qualified method. Moreover, our calculations suggest that the Young moduli for bilayers are insensitive to stacking orders and the mechanical coupling between monolayers seems to be negligible. 展开更多
关键词 transition metal dichalcogenides bilayer structures elastic properties electronic structure
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Self-assembly of Asymmetric Dimer Particles in Supported Copolymer Bilayer
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作者 秦笑春 任春米 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第3期319-324,I0004,共7页
Using self-consistent field and density functional theories, we investigate the self-assembly behavior of asymmetric dimer particles in a supported AB block copolymer bilayer. Asymmetric dimer particles are amphiphili... Using self-consistent field and density functional theories, we investigate the self-assembly behavior of asymmetric dimer particles in a supported AB block copolymer bilayer. Asymmetric dimer particles are amphiphilic molecules composed by two different spheres. One prefers to A block of copolymers and the other likes B block when they are introduced into the copolymer bilayer. The two layer structure of the dimer particles is formed within the bilayer. Due to the presence of the substrate surface, the symmetry of the two leaflets of the bilayer is broken, which may lead to two different layer structures of dimer particles within each leaflet of the bilayer. With the increasing concentration of the asymmetric dimer particles, in-plane structure of the dimer particles undergoes sparse square, hexagonal, dense square, and cylindrical structures. In a further condensed packing, a bending cylindrical structure comes into being. Here we verify that the entropic effect of copolymers, the enthalpy of the system and the steric repulsion of the dimer particles are three important factors determing the self-assembly of dimer particles within the supported copolymer bilayer. 展开更多
关键词 Dimer particle Copolymer bilayer Self consistent field theory Density function theory SELF-ASSEMBLE
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An asymmetric bilayer polymer-ceramic solid electrolyte for highperformance sodium metal batteries 被引量:3
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作者 Han Wang Yongjiang Sun +4 位作者 Qing Liu Zhiyuan Mei Li Yang Lingyan Duan Hong Guo 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第11期18-25,I0003,共9页
Manufacturing an excellent solid electrolyte compatible with a high-voltage cathode is viewed as a critical tactic for improving the energy density of solid-state sodium-ion batteries(SSIBs).A novel asymmetric bilayer... Manufacturing an excellent solid electrolyte compatible with a high-voltage cathode is viewed as a critical tactic for improving the energy density of solid-state sodium-ion batteries(SSIBs).A novel asymmetric bilayer solid electrolyte of the PEO-SN-NaClO_(4)|NZSP-NSO with an anti-reduction PEO-SN-NaClO_(4)layer close to the Na side is constructed by solution casting.The ionic conductivity is enhanced by using succinonitrile(SN)in polyethylene oxide(PEO)polymer electrolyte.The anti-oxidation layer of Na_(3)Zr_(2)Si_(2)PO_(12)with Na_(2)SiO_(3)(NZSP-NSO)is served as the support of the membrane on the cathode,which could improve the interface compatibility and electrochemical performance of SSIBs.The asymmetric bilayer solid electrolyte simultaneously features a wide electrochemical stability window(4.65 V vs.Na+/Na)and a high conductivity(2.68×10^(-4) S cm^(-1)).Furthermore,the solid electrolyte demonstrates stable Na plating/stripping over 700 h and remarkably improves cycling stability in Na/Na_(3) V_(2)(PO_(4))_(3) batteries with an ultra-high capacity retention of 99.6%after 100 cycles at 50℃and 0.5 C.This study provides an effective strategy for designing asymmetric high sodium ion conductivity solid-state electrolytes for high-performance SSIBs. 展开更多
关键词 Solid sodium batteries bilayer electrolytes NASICON Polyethylene oxide
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