In this research work,sol-gel technique was employed to prepare the strontium based spinel ferrite nanoparticles(SrFe_(2)O_(4))with different ratios of terbium(Tb).Different characterization techniques were used to in...In this research work,sol-gel technique was employed to prepare the strontium based spinel ferrite nanoparticles(SrFe_(2)O_(4))with different ratios of terbium(Tb).Different characterization techniques were used to investigate the structural,morphological,dielectric and magnetic properties of the prepared samples.X-ray diffraction(XRD)result suggests that face-centered cube spinel nanocrystalline structure is formed.Crystallite size of the SrFe_(2)O_(4)decreases with rising of Tb ratio.The morphology,shape and size of the SrFe_(2)O_(4)were examined by scanning electron microscopy(SEM)analysis and results reveal inhomogeneous distributions of the nanostructures with high agglomeration.The electrical resistivity of the SrFe_(2)O_(4)increases with rising of Tb ratio,which is confirmed from the cyclic voltammetry.It is observed that dielectric constant of all the samples decreases with the increasing frequency range.It is determined that the dielectric constants of the spinel ferrites are frequency dependent and decrease with increasing the frequency of applied electric field.The magnetic behavior of SrFe_(2)O_(4)with different ratios of Tb was studied and it is found that the saturation magnetization values of samples decrease with increase in the substitution of Tb^(3+)at octahedral sites for Fe^(3+).This decrease in the values of M_(s) is also attributed to spin at surface of nanoparticles.展开更多
FeCoCrMnNiN_(x)high entropy nitride ceramics thin films were prepared using the magnetron sputtering method,and the effects of nitrogen content on the thin films’properties were later examined.The addition of N_(2)af...FeCoCrMnNiN_(x)high entropy nitride ceramics thin films were prepared using the magnetron sputtering method,and the effects of nitrogen content on the thin films’properties were later examined.The addition of N_(2)affected the microstructures of the thin films and their mechanical and corrosion properties.Compared with the FeCoCrMnNi thin films with 1-sccm N_(2),the addition of 2 and 3 sccm of N_(2)by as much as 5.45at%and 6.34at%changed the solid solution’s crystalline structure into an amorphous structure.The addition of nitro-gen caused drastic changes to the surface morphology,creating a smoother and more uniform surface without cauliflower units.The atomic force microscopy image analysis indicated that the addition of nitrogen reduced the surface roughness from 5.58 to 1.82 nm.Adding N_(2)to the CoCrFeMnNi thin film helped increase its mechanical properties,such as hardness and strength,while the Young’s modulus decreased.The hardness of(8.75±0.5)GPa and the reduced Young’s modulus of(257.37±11.4)GPa of the FeCoCrMnNi thin film reached(12.67±1.2)and(194.39±12.4)GPa,respectively,with 1 sccm N_(2).The applied coating of the CoCrFeMnNi thin film on 304SUS increased the corrosion resistance,whereas the addition of nitrogen to the CoCrFeMnNi thin film also improved its corrosion res-istance compared with that of the CoCrFeMnNi thin film without nitrogen.展开更多
In this study,the casting process is used to fabricate modified polyvinyl alcohol(PVA),starch(S),and carboxymethyl cellulose(CMC)polymer blend films(PVA/S/CMC)loaded with various concentrations of irondoped carbon qua...In this study,the casting process is used to fabricate modified polyvinyl alcohol(PVA),starch(S),and carboxymethyl cellulose(CMC)polymer blend films(PVA/S/CMC)loaded with various concentrations of irondoped carbon quantum dots(Fe-CQDs)and denoted as(PVA/S/CMC@Fe-CQDs).A one-step microwave strategy was employed as a facile method to prepare Fe-CQDs.Through a series of characterization techniques,fourier-transform infrared(FTIR)spectroscopy,x-ray diffraction(XRD)analysis,and scanning electron microscopy(SEM)have been used to show the successful integration of Fe-CQDs into the PVA/S/CMCmatrix.Loading the synthesized Fe-CQDs to the polymeric matrix significantly enhanced the mechanical properties of the films represented in the tensile strength,Young’s modulus,and hardness.However,the elongation decreased noticeably upon increasing the iron-doped carbon dots.The surface wettability was also studied by measuring the contact angle of the prepared films.The findings showed a noticeable elevation in these measurements by increasing the Fe-CQDs content,declaring the role of a hydrophobic character in these nanoparticles when introduced into a hydrophilic polymeric system.The dielectric characteristics of the reinforced polymer composite films were evaluated.These results revealed that the ac-conductivity of the investigated films was boosted with increasing Fe-CQDs’ratio and frequency.The PVA/S/CMC@Fe-CQDs films possess substantial potential for efficient energy storage applications.展开更多
(Mg,Fe)SiO_(3) is primarily located in the mantle and has a substantial impact on geophysical and geochemical processes.Here,we employ molecular dynamics simulations to investigate the structural and transport propert...(Mg,Fe)SiO_(3) is primarily located in the mantle and has a substantial impact on geophysical and geochemical processes.Here,we employ molecular dynamics simulations to investigate the structural and transport properties of(Mg,Fe)SiO_(3) with varying iron contents at temperatures up to 5000 K and pressures up to 135 GPa.We thoroughly examine the effects of pressure,temperature,and iron content on the bond lengths,coordination numbers,viscosities,and electrical conductivities of(Mg,Fe)SiO_(3).Our calculations indicate that the increase of pressure leads to the shortening of the O-O and Mg-O bond lengths,while the Si-O bond lengths exhibit the initial increase with pressure up to 40 GPa,after which they are almost unchanged.The coordination numbers of Si transition from four-fold to six-fold and eventually reach eight-fold coordination at 135 GPa.The enhanced pressure causes the decrease of the diffusion coefficients and the increase of the viscosities of(Mg,Fe)SiO_(3).The increased temperatures slightly decrease the coordination numbers and viscosities,as well as obviously increase the diffusion coefficients and electrical conductivities of(Mg,Fe)SiO_(3).Additionally,iron doping facilitates the diffusion of Si and O,reduces the viscosities,and enhances the electrical conductivities of(Mg,Fe)SiO_(3).These findings advance fundamental understanding of the structural and transport properties of(Mg,Fe)SiO_(3) under high temperature and high pressure,which provide novel insights for unraveling the complexities of geological processes within the Earth's mantle.展开更多
To explore high value-added utilization pathways of fly ash,the mesoporous structure of silicon dioxide extracted from fly ash(FA-SiO_(2))was utilized to restrict the dicyandiamide(DCDA)thermal degradation process.Thi...To explore high value-added utilization pathways of fly ash,the mesoporous structure of silicon dioxide extracted from fly ash(FA-SiO_(2))was utilized to restrict the dicyandiamide(DCDA)thermal degradation process.This produced chemically bonded interacting composite photocatalysts of FA-SiO,and graphitic-phase carbon nitride(g-C_(3)N_(4)).Compared with the spherical silicon dioxide prepared using tetraethyl orthosilicate(TEOS-SiO_(2)),the mesoporous structure of FA-SiO_(2),allowed DCDA to react in a smaller space,which facilitated the transformation of DCDA to melamine by the thermal degradation kinetics of FA-C_(3)N_(4)/DCDA.This ultimately boosted the formation of an N-atom-removed triazine ring structure and a multistage structure combining lumps and rods in the composite photocatalysts of g-C_(3)N_(4),and FA-SiO_(2),which led to a higher visible-light utilization efficiency,a suitable valence-band position,and the photocatalytic activity for methylene blue reaching 3.56 times that of g-C_(3)N_(4).The findings indicate that mesoporous FA-SiO,has the potential to improve the structural and photocatalytic properties of g-C_(3)N_(4),-based materials.展开更多
Dimethyl sulfoxide(DMSO)plays an important role in chemistry,biology and industry.The S=O stretching vibration serves as a sensitive probe of its structure under different chemical environments.However,spectral assign...Dimethyl sulfoxide(DMSO)plays an important role in chemistry,biology and industry.The S=O stretching vibration serves as a sensitive probe of its structure under different chemical environments.However,spectral assignment for the S=O stretching vibration of liquid DMSO remains unclear due to the interference of CH_(3)antisymmetric rocking and different aggregates,leading to the confusion in explaining the microstructures of liquid DMSO.Here,the S=O stretching spectra in pure DMSO and in extremely diluted CCl_(4)solution were investigated with temperaturedependent Raman spectroscopy.It is shown that CH_(3)antisymmetric rocking does not significantly interfere with the S=O band profile due to its low Raman intensity.Three decomposed peaks at 1027,1042 and 1055 cm^(-1)in liquid DMSO show obviously different intensity variety upon the temperature increasing.Combined with quantum chemistry calculation on(DMSO)_(n)(n=1-4)clusters,Raman spectra in the S=O stretching region were assigned and the simultaneous presence of the monomer,dimer and trimmer in liquid DMSO were concluded.These results contribute to a more detailed molecular understanding of the structure of DMSO in the liquid state.展开更多
A purified polysaccharide with a galactose backbone(SPR-1,Mw 3,622 Da)was isolated from processed Polygonati Rhizoma with black beans(PRWB)and characterized its chemical properties.The backbone of SPR-1 consisted of[(...A purified polysaccharide with a galactose backbone(SPR-1,Mw 3,622 Da)was isolated from processed Polygonati Rhizoma with black beans(PRWB)and characterized its chemical properties.The backbone of SPR-1 consisted of[(4)-b-D-Galp-(1]9/4,6)-b-D-Galp-(1/4)-a-D-GalpA-(1/4)-a-D-GalpA-(1/4)-aD-Glcp-(1/4,6)-a-D-Glcp-(1/4)-a/b-D-Glcp,with a branch chain of R1:b-D-Galp-(1/3)-b-D-Galp-(1/connected to the/4,6)-b-D-Galp-(1/via O-6,and a branch chain of R2:a-D-Glcp-(1/6)-a-D-Glcp-(1/connected to the/4,6)-a-D-Glcp-(1/via O-6.Immunomodulatory assays showed that the SPR-1 significantly activated macrophages,and increased secretion of NO and cytokines(i.e.,IL-1b and TNF-a),as well as promoted the phagocytic activities of cells.Furthermore,isothermal titration calorimetry(ITC)analysis and molecular docking results indicated high-affinity binding between SPR-1 and MD2 with the equilibrium dissociation constant(KD)of 18.8 mM.It was suggested that SPR-1 activated the immune response through Toll-like receptor 4(TLR4)signaling and downstream responses.Our research demonstrated that the SPR-1 has a promising candidate from PRWB for the TLR4 agonist to induce immune response,and also provided an easily accessible way that can be used for PR deep processing。展开更多
First principles calculations are carried out to investigate the structural stability of several non-equilibrium intermetallic phases in the cobalt（Co）–Mo system using spin polarized projected augmented-wave potent...First principles calculations are carried out to investigate the structural stability of several non-equilibrium intermetallic phases in the cobalt（Co）–Mo system using spin polarized projected augmented-wave potentials. It is revealed that the Co3Mo, CoMo, and CoMo3 alloys are energetically favored to be in D019, B11, and A15 structures, respectively,and that the magnetic moments of Co atoms would decrease rapidly with an increasing percentage of Mo content and would most probably disappear when the content of Mo is no less than 50 at%. Generally, the calculated results in the present work match well with the available experimental observations.展开更多
ZnO nanorod arrays （NRs） were synthesized on the fluorine-doped SnO2 transparent conductive glass （FTO） by a simple chemical bath deposition （CBD） method combined with alkali-etched method in potassium hydroxide...ZnO nanorod arrays （NRs） were synthesized on the fluorine-doped SnO2 transparent conductive glass （FTO） by a simple chemical bath deposition （CBD） method combined with alkali-etched method in potassium hydroxide （KOH） solution. X-ray diffraction （XRD）, scanning electron microscopy （SEM） and current-voltage （I-V） curve were used to characterize the structure, morphologies and optoelectronic properties. The results demonstrated that ZnO NRs had wurtzite structures, the morphologies and photovoltaic properties of ZnO NRs were closely related to the concentration of KOH and etching time, well-aligned and uniformly distributed ZnO NRs were obtained after etching with 0.1 mol/L KOH for 1 h. ZnO NRs treated by KOH had been proved to have superior photovoltaic properties compared with high density ZnO NRs. When using ZnO NRs etched with 0.1 mol/L KOH for 1 h as the anode of solar cell, the conversion efficiency, short circuit current and open circuit voltage, compared with the unetched ZnO NRs, increased by 0.71%, 2.79 mA and 0.03 V, respectively.展开更多
Four-, six-, and eight-membered ring silica nanotubes at temperatures from 300 K to 1600 K are relaxed by classical molecular dynamics simulations with three potential models. The simulation results indicate that the ...Four-, six-, and eight-membered ring silica nanotubes at temperatures from 300 K to 1600 K are relaxed by classical molecular dynamics simulations with three potential models. The simulation results indicate that the stability of the end rings of the three silica nanotubes gradually decreases with increase in temperature. The validity of the vibrational features of silica nanotubes is shown by the vibrational density of states. Infrared spectra on the silica nanotubes under different temperatures are investigated. A detailed assignment of each spectral peak to the corresponding vibrational mode of the three nanotubes has been addressed. The results are in good agreement with the other theoretical and experimental展开更多
[Objectives] This study was conducted to investigate the drying methods,functional and structure properties of dietary fiber( DF) from peanut shells.[Methods]Peanut shells were used as a raw material to prepare peanut...[Objectives] This study was conducted to investigate the drying methods,functional and structure properties of dietary fiber( DF) from peanut shells.[Methods]Peanut shells were used as a raw material to prepare peanut shell dietary fiber( DF) by hot air drying( HA) and vacuum freeze drying( VF),respectively,and their functional and structural characteristics were compared in detail. [Results]The solubility,water holding capacity,oil holding capacity and swelling capacity of HA-DF and VF-DF were 2. 15 %,7. 63 g/g,7. 73 g/g,10. 35 ml/g and 3. 85 %,14. 98 g/g,15. 25 g/g,15. 85 ml/g,respectively. The total phenol contents were 2. 623 and 5. 173 mg GAE/g,respectively. The IC(50) values of ·OH,O2^-· and DPPH free radicals were 4. 16 and 4. 09 mg/ml,7. 90 and 3. 32 mg/ml,and 3. 19 and 3. 09 mg/ml,respectively. The molecular weight of VF-DF was smaller,and it had narrow molecular weight distribution and denser particles. Electron microscopy showed that VF-DF had a porous network like honeycomb and swelled structure. [Conclusions]This study can provide a theoretical basis for the functional modification and comprehensive utilization of peanut shell dietary fiber.展开更多
Effects of growth temperature on the structural and electrical properties of Li-N-H codoped ZnO thin films grown by DC reactive magnetron sputtering were investigated. Scanning electron microscopy and X-ray diffractio...Effects of growth temperature on the structural and electrical properties of Li-N-H codoped ZnO thin films grown by DC reactive magnetron sputtering were investigated. Scanning electron microscopy and X-ray diffraction results showed that increasing growth temperature could improve the crystalline quality. But Hall measurement results showed that growth temperature had a nonlinear influence on the electrical property. The variation of electrical properties with the growth temperature was found to be related to the activated concentration of N in ZnO and the evaporation of Li during the growth process, derived from the Hall measurement and the second ion mass spectroscopy measurement.展开更多
CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the struct...CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.展开更多
Structural properties of polymers confined in nanocylinders are investigated by Monte Carlo simulation, which is successfully used to consider the conformational property of constrained polymers. The conformational pr...Structural properties of polymers confined in nanocylinders are investigated by Monte Carlo simulation, which is successfully used to consider the conformational property of constrained polymers. The conformational properties of the polymers close to the walls exhibit different features. The density profiles of polymers are enhanced near the wall of the nanocylinder, which shows that the packing densities differ near the wall and far from the wall. The highest densities near the wall of the nanocylinder decrease with increasing radius of the nanocylinder. Furthermore, the density excess is not only near the wall of the nanocylinder, but also shifts to the center of the nanocylinder at lower temperatures. The radius of gyration and the bond length of polymers in the nanocylinder show that the polymer chains tend to extend along the axis of the nanocylinder in highly confined nanocylinder and contract at lower temperature. Our results are very helpful in understanding the packing induced physical behaviors of polymers in nanocylinders, such as glass transition, crystallization,etc.展开更多
Titanium nitride （TiN） films were deposited on Si（100） substrates by laser molecular beam epitaxy（LMBE）,and their properties of structure and resistivity with varying N2 pressure were investigated.The results sh...Titanium nitride （TiN） films were deposited on Si（100） substrates by laser molecular beam epitaxy（LMBE）,and their properties of structure and resistivity with varying N2 pressure were investigated.The results showed that atomically flat TiN films with layer-by-layer growth mode were successfully grown on Si（100） substrates,and （200） was the preferred orientation.With the increasing of N2 pressure,the N/Ti ratio gradually increased and the diffraction peak progressively shifted towards lower diffraction angle.At pressure of 0.1 Pa,stoichiometric TiN film was formed which exhibited the characteristic diffraction angle of （200） plane.All films showed high reflectance to infrared spectrum and the films with overstoichiometry and understoichiometry had a higher resistivity owing to the surface particles and lattice distortion,while the stoichiometric TiN film depicted the minimum resistivity,around 19 μΩ·cm.展开更多
Raman scattering spectroscopy and scanning electron microscopy (SEM) techniques were used to determine the structural properties of two typical series of microc rystalline silicon (μc-Si:H) films deposited at differe...Raman scattering spectroscopy and scanning electron microscopy (SEM) techniques were used to determine the structural properties of two typical series of microc rystalline silicon (μc-Si:H) films deposited at different VHF plasma power and different working gas pressure by very high frequency plasma enhanced chemical v apor deposition (VHF-PECVD) technique. Raman spectra measurements show that both crystalline volume fraction Xc and average grain size d of μc-Si : H films ar e strongly affected by the two deposition conditions and are more sensitive to w orking gas pressure than VHF plasma power. SEM characterizations have further co nfirmed that VHF plasma power and working gas pressure could clearly enhance the surface roughness of μc-Si : H films ascribing to polymerization reactions, w hich is also more sensitive to working gas pressure than VHF plasma power.展开更多
Objective. To evaluate the effects of alendronate on the structural properties of trabecular bone.Methods. Alendronate was administered at a daily p. o. dose of 0. 5 mg/kg over a 12-week period in hound dogs (n = 8 fo...Objective. To evaluate the effects of alendronate on the structural properties of trabecular bone.Methods. Alendronate was administered at a daily p. o. dose of 0. 5 mg/kg over a 12-week period in hound dogs (n = 8 for both the control and treated group), and the structural indices of the lumbar vertebral (LI and L2) trabecular bone were assessed directly from 3-D images.Results. Treatment with alendronate increased bone volume fraction by 9. 5% and 7. 7% in L1 and L2 respectively. Trabecular thickness significantly increased after alendronate treatment, whereas trabecular separation remained constant. The degree of anisotropy for the alendronate - treated group was decreased compared with that of the control group. Bone surface to volume ratio declined significantly in the alendronate-reated group, whereas alendronate induced a higher bone surface density.Conclusion. Alendronate increased the structural properties of canine trabecular bone after short-term treatment at a dose of 0. 5 mg · kg-1·day-1.展开更多
The structure and crystal phase of the nanocrystalline powders of Ni1-xCdxFe2O4（0≤x≤0.5） mixed ferrite, synthesized by wet chemical co-precipitation method, were characterized by X-ray diffraction. Results showed ...The structure and crystal phase of the nanocrystalline powders of Ni1-xCdxFe2O4（0≤x≤0.5） mixed ferrite, synthesized by wet chemical co-precipitation method, were characterized by X-ray diffraction. Results showed that the lattice parameter increased with increasing Cd concentration. Microstructure was studied by scanning electron microscopy. TG/DTA studies were carried out on co-precipitated sulphate complexes. These studies revealed the low ferritization temperature （650 ℃） of the ferrite system synthesized by presently adopted route of synthesis and occurrence of simultaneous decomposition and ferritization processes. Further studies by infrared spectroscopy were also conducted. Moreover, magnetic properties of the prepared nanoparticles were studied by magnetization and a.c. susceptibility measurements. The response of prepared Ni1-xCdxFe2O4 mixed ferrites to magnetic field was investigated. Results show that, magnetic susceptibility, Curie temperature, and effective magnetic moment decreased as the Cd content increases.展开更多
Flexible sensors,a class of devices that can convert external mechanical or physical signals into changes in resistance,capacitance,or current,have developed rapidly since the concept was first proposed.Due to the spe...Flexible sensors,a class of devices that can convert external mechanical or physical signals into changes in resistance,capacitance,or current,have developed rapidly since the concept was first proposed.Due to the special properties and naturally occurring excellent microstructures of biomaterials,it can provide more desirable properties to flexible devices.This paper systematically discusses the commonly used biomaterials for bio-based flexible devices in current research applications and their deployment in preparing flexible sensors with different mechanisms.According to the characteristics of other properties and application requirements of biomaterials,the mechanisms of their functional group properties,special microstructures,and bonding interactions in the context of various sensing applications are presented in detail.The practical application scenarios of biomaterial-based flexible devices are highlighted,including human-computer interactions,energy harvesting,wound healing,and related biomedical applications.Finally,this paper also reviews in detail the limitations of biobased materials in the construction of flexible devices and presents challenges and trends in the development of biobased flexible sensors,as well as to better explore the properties of biomaterials to ensure functional synergy within the composite materials.展开更多
基金the Deanship of Scientific Research at King Khalid University for funding this work through Large Groups Project under(RGP.2/111/44)。
文摘In this research work,sol-gel technique was employed to prepare the strontium based spinel ferrite nanoparticles(SrFe_(2)O_(4))with different ratios of terbium(Tb).Different characterization techniques were used to investigate the structural,morphological,dielectric and magnetic properties of the prepared samples.X-ray diffraction(XRD)result suggests that face-centered cube spinel nanocrystalline structure is formed.Crystallite size of the SrFe_(2)O_(4)decreases with rising of Tb ratio.The morphology,shape and size of the SrFe_(2)O_(4)were examined by scanning electron microscopy(SEM)analysis and results reveal inhomogeneous distributions of the nanostructures with high agglomeration.The electrical resistivity of the SrFe_(2)O_(4)increases with rising of Tb ratio,which is confirmed from the cyclic voltammetry.It is observed that dielectric constant of all the samples decreases with the increasing frequency range.It is determined that the dielectric constants of the spinel ferrites are frequency dependent and decrease with increasing the frequency of applied electric field.The magnetic behavior of SrFe_(2)O_(4)with different ratios of Tb was studied and it is found that the saturation magnetization values of samples decrease with increase in the substitution of Tb^(3+)at octahedral sites for Fe^(3+).This decrease in the values of M_(s) is also attributed to spin at surface of nanoparticles.
基金the Ahvaz Branch, Islamic Azad University for the financial support
文摘FeCoCrMnNiN_(x)high entropy nitride ceramics thin films were prepared using the magnetron sputtering method,and the effects of nitrogen content on the thin films’properties were later examined.The addition of N_(2)affected the microstructures of the thin films and their mechanical and corrosion properties.Compared with the FeCoCrMnNi thin films with 1-sccm N_(2),the addition of 2 and 3 sccm of N_(2)by as much as 5.45at%and 6.34at%changed the solid solution’s crystalline structure into an amorphous structure.The addition of nitro-gen caused drastic changes to the surface morphology,creating a smoother and more uniform surface without cauliflower units.The atomic force microscopy image analysis indicated that the addition of nitrogen reduced the surface roughness from 5.58 to 1.82 nm.Adding N_(2)to the CoCrFeMnNi thin film helped increase its mechanical properties,such as hardness and strength,while the Young’s modulus decreased.The hardness of(8.75±0.5)GPa and the reduced Young’s modulus of(257.37±11.4)GPa of the FeCoCrMnNi thin film reached(12.67±1.2)and(194.39±12.4)GPa,respectively,with 1 sccm N_(2).The applied coating of the CoCrFeMnNi thin film on 304SUS increased the corrosion resistance,whereas the addition of nitrogen to the CoCrFeMnNi thin film also improved its corrosion res-istance compared with that of the CoCrFeMnNi thin film without nitrogen.
文摘In this study,the casting process is used to fabricate modified polyvinyl alcohol(PVA),starch(S),and carboxymethyl cellulose(CMC)polymer blend films(PVA/S/CMC)loaded with various concentrations of irondoped carbon quantum dots(Fe-CQDs)and denoted as(PVA/S/CMC@Fe-CQDs).A one-step microwave strategy was employed as a facile method to prepare Fe-CQDs.Through a series of characterization techniques,fourier-transform infrared(FTIR)spectroscopy,x-ray diffraction(XRD)analysis,and scanning electron microscopy(SEM)have been used to show the successful integration of Fe-CQDs into the PVA/S/CMCmatrix.Loading the synthesized Fe-CQDs to the polymeric matrix significantly enhanced the mechanical properties of the films represented in the tensile strength,Young’s modulus,and hardness.However,the elongation decreased noticeably upon increasing the iron-doped carbon dots.The surface wettability was also studied by measuring the contact angle of the prepared films.The findings showed a noticeable elevation in these measurements by increasing the Fe-CQDs content,declaring the role of a hydrophobic character in these nanoparticles when introduced into a hydrophilic polymeric system.The dielectric characteristics of the reinforced polymer composite films were evaluated.These results revealed that the ac-conductivity of the investigated films was boosted with increasing Fe-CQDs’ratio and frequency.The PVA/S/CMC@Fe-CQDs films possess substantial potential for efficient energy storage applications.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12174352 and 12111530103)the Fundamental Research Funds for the Central Universities,China University of Geosciences(Wuhan)(Grant No.G1323523065)。
文摘(Mg,Fe)SiO_(3) is primarily located in the mantle and has a substantial impact on geophysical and geochemical processes.Here,we employ molecular dynamics simulations to investigate the structural and transport properties of(Mg,Fe)SiO_(3) with varying iron contents at temperatures up to 5000 K and pressures up to 135 GPa.We thoroughly examine the effects of pressure,temperature,and iron content on the bond lengths,coordination numbers,viscosities,and electrical conductivities of(Mg,Fe)SiO_(3).Our calculations indicate that the increase of pressure leads to the shortening of the O-O and Mg-O bond lengths,while the Si-O bond lengths exhibit the initial increase with pressure up to 40 GPa,after which they are almost unchanged.The coordination numbers of Si transition from four-fold to six-fold and eventually reach eight-fold coordination at 135 GPa.The enhanced pressure causes the decrease of the diffusion coefficients and the increase of the viscosities of(Mg,Fe)SiO_(3).The increased temperatures slightly decrease the coordination numbers and viscosities,as well as obviously increase the diffusion coefficients and electrical conductivities of(Mg,Fe)SiO_(3).Additionally,iron doping facilitates the diffusion of Si and O,reduces the viscosities,and enhances the electrical conductivities of(Mg,Fe)SiO_(3).These findings advance fundamental understanding of the structural and transport properties of(Mg,Fe)SiO_(3) under high temperature and high pressure,which provide novel insights for unraveling the complexities of geological processes within the Earth's mantle.
基金supported by the Medical Special Cultivation Project of Anhui University of Science and Technology(Nos.YZ2023H2B013 and YZ2023H2B012),China.
文摘To explore high value-added utilization pathways of fly ash,the mesoporous structure of silicon dioxide extracted from fly ash(FA-SiO_(2))was utilized to restrict the dicyandiamide(DCDA)thermal degradation process.This produced chemically bonded interacting composite photocatalysts of FA-SiO,and graphitic-phase carbon nitride(g-C_(3)N_(4)).Compared with the spherical silicon dioxide prepared using tetraethyl orthosilicate(TEOS-SiO_(2)),the mesoporous structure of FA-SiO_(2),allowed DCDA to react in a smaller space,which facilitated the transformation of DCDA to melamine by the thermal degradation kinetics of FA-C_(3)N_(4)/DCDA.This ultimately boosted the formation of an N-atom-removed triazine ring structure and a multistage structure combining lumps and rods in the composite photocatalysts of g-C_(3)N_(4),and FA-SiO_(2),which led to a higher visible-light utilization efficiency,a suitable valence-band position,and the photocatalytic activity for methylene blue reaching 3.56 times that of g-C_(3)N_(4).The findings indicate that mesoporous FA-SiO,has the potential to improve the structural and photocatalytic properties of g-C_(3)N_(4),-based materials.
基金supported by the National Natural Science Foundation of China(Nos.21873002,22073088,12374001).
文摘Dimethyl sulfoxide(DMSO)plays an important role in chemistry,biology and industry.The S=O stretching vibration serves as a sensitive probe of its structure under different chemical environments.However,spectral assignment for the S=O stretching vibration of liquid DMSO remains unclear due to the interference of CH_(3)antisymmetric rocking and different aggregates,leading to the confusion in explaining the microstructures of liquid DMSO.Here,the S=O stretching spectra in pure DMSO and in extremely diluted CCl_(4)solution were investigated with temperaturedependent Raman spectroscopy.It is shown that CH_(3)antisymmetric rocking does not significantly interfere with the S=O band profile due to its low Raman intensity.Three decomposed peaks at 1027,1042 and 1055 cm^(-1)in liquid DMSO show obviously different intensity variety upon the temperature increasing.Combined with quantum chemistry calculation on(DMSO)_(n)(n=1-4)clusters,Raman spectra in the S=O stretching region were assigned and the simultaneous presence of the monomer,dimer and trimmer in liquid DMSO were concluded.These results contribute to a more detailed molecular understanding of the structure of DMSO in the liquid state.
基金supported by Sichuan Provincial Regional Innovation Cooperation Project,China(Grant No.:2023YFQ0084)the Macao Science and Technology Development Fund(FDCT),China(Grant No.:0043/2021/AGJ).
文摘A purified polysaccharide with a galactose backbone(SPR-1,Mw 3,622 Da)was isolated from processed Polygonati Rhizoma with black beans(PRWB)and characterized its chemical properties.The backbone of SPR-1 consisted of[(4)-b-D-Galp-(1]9/4,6)-b-D-Galp-(1/4)-a-D-GalpA-(1/4)-a-D-GalpA-(1/4)-aD-Glcp-(1/4,6)-a-D-Glcp-(1/4)-a/b-D-Glcp,with a branch chain of R1:b-D-Galp-(1/3)-b-D-Galp-(1/connected to the/4,6)-b-D-Galp-(1/via O-6,and a branch chain of R2:a-D-Glcp-(1/6)-a-D-Glcp-(1/connected to the/4,6)-a-D-Glcp-(1/via O-6.Immunomodulatory assays showed that the SPR-1 significantly activated macrophages,and increased secretion of NO and cytokines(i.e.,IL-1b and TNF-a),as well as promoted the phagocytic activities of cells.Furthermore,isothermal titration calorimetry(ITC)analysis and molecular docking results indicated high-affinity binding between SPR-1 and MD2 with the equilibrium dissociation constant(KD)of 18.8 mM.It was suggested that SPR-1 activated the immune response through Toll-like receptor 4(TLR4)signaling and downstream responses.Our research demonstrated that the SPR-1 has a promising candidate from PRWB for the TLR4 agonist to induce immune response,and also provided an easily accessible way that can be used for PR deep processing。
基金financially supported by the National Natural Science Foundation of China (Nos. 50971072 and 51131003)the National Basic Research Program of China (Nos. 2011CB606301 and 2012CB825700)the administration of Key Laboratory of Advanced Materials in Tsinghua University
文摘First principles calculations are carried out to investigate the structural stability of several non-equilibrium intermetallic phases in the cobalt（Co）–Mo system using spin polarized projected augmented-wave potentials. It is revealed that the Co3Mo, CoMo, and CoMo3 alloys are energetically favored to be in D019, B11, and A15 structures, respectively,and that the magnetic moments of Co atoms would decrease rapidly with an increasing percentage of Mo content and would most probably disappear when the content of Mo is no less than 50 at%. Generally, the calculated results in the present work match well with the available experimental observations.
基金Project (21171027) supported by the National Natural Science Foundation of ChinaProject (K1001020-11) supported by the Science and Technology Key Project of Changsha City, ChinaProject ([2010]70) supported by Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, China
文摘ZnO nanorod arrays （NRs） were synthesized on the fluorine-doped SnO2 transparent conductive glass （FTO） by a simple chemical bath deposition （CBD） method combined with alkali-etched method in potassium hydroxide （KOH） solution. X-ray diffraction （XRD）, scanning electron microscopy （SEM） and current-voltage （I-V） curve were used to characterize the structure, morphologies and optoelectronic properties. The results demonstrated that ZnO NRs had wurtzite structures, the morphologies and photovoltaic properties of ZnO NRs were closely related to the concentration of KOH and etching time, well-aligned and uniformly distributed ZnO NRs were obtained after etching with 0.1 mol/L KOH for 1 h. ZnO NRs treated by KOH had been proved to have superior photovoltaic properties compared with high density ZnO NRs. When using ZnO NRs etched with 0.1 mol/L KOH for 1 h as the anode of solar cell, the conversion efficiency, short circuit current and open circuit voltage, compared with the unetched ZnO NRs, increased by 0.71%, 2.79 mA and 0.03 V, respectively.
文摘Four-, six-, and eight-membered ring silica nanotubes at temperatures from 300 K to 1600 K are relaxed by classical molecular dynamics simulations with three potential models. The simulation results indicate that the stability of the end rings of the three silica nanotubes gradually decreases with increase in temperature. The validity of the vibrational features of silica nanotubes is shown by the vibrational density of states. Infrared spectra on the silica nanotubes under different temperatures are investigated. A detailed assignment of each spectral peak to the corresponding vibrational mode of the three nanotubes has been addressed. The results are in good agreement with the other theoretical and experimental
基金Supported by Tangshan Science Project (19150204E)。
文摘[Objectives] This study was conducted to investigate the drying methods,functional and structure properties of dietary fiber( DF) from peanut shells.[Methods]Peanut shells were used as a raw material to prepare peanut shell dietary fiber( DF) by hot air drying( HA) and vacuum freeze drying( VF),respectively,and their functional and structural characteristics were compared in detail. [Results]The solubility,water holding capacity,oil holding capacity and swelling capacity of HA-DF and VF-DF were 2. 15 %,7. 63 g/g,7. 73 g/g,10. 35 ml/g and 3. 85 %,14. 98 g/g,15. 25 g/g,15. 85 ml/g,respectively. The total phenol contents were 2. 623 and 5. 173 mg GAE/g,respectively. The IC(50) values of ·OH,O2^-· and DPPH free radicals were 4. 16 and 4. 09 mg/ml,7. 90 and 3. 32 mg/ml,and 3. 19 and 3. 09 mg/ml,respectively. The molecular weight of VF-DF was smaller,and it had narrow molecular weight distribution and denser particles. Electron microscopy showed that VF-DF had a porous network like honeycomb and swelled structure. [Conclusions]This study can provide a theoretical basis for the functional modification and comprehensive utilization of peanut shell dietary fiber.
基金supported by the National Basic Research Program of China under Grant No.2006CB604906the National Natural Science Foundation of China under Grant No.51072181the Doctoral Fund of Ministry of Education of China under Grant No.20060335087
文摘Effects of growth temperature on the structural and electrical properties of Li-N-H codoped ZnO thin films grown by DC reactive magnetron sputtering were investigated. Scanning electron microscopy and X-ray diffraction results showed that increasing growth temperature could improve the crystalline quality. But Hall measurement results showed that growth temperature had a nonlinear influence on the electrical property. The variation of electrical properties with the growth temperature was found to be related to the activated concentration of N in ZnO and the evaporation of Li during the growth process, derived from the Hall measurement and the second ion mass spectroscopy measurement.
基金supported by the National Natural Science Foundation of China (No. 52174297)Fundamental Research Funds for the Central Universities (No. FRF-TP-20026A1)+1 种基金the special grade of China Postdoctoral Science Foundation (No. 2021T140050)supported by USTB MatCom of Beijing Advanced Innovation Center for Materials Genome Engineering。
文摘CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.21474051,21074053,and 51133002)the National Basic Research Program of China(Grant No.2012CB821503)the Program for Changjiang Scholars and Innovative Research Team in University,China
文摘Structural properties of polymers confined in nanocylinders are investigated by Monte Carlo simulation, which is successfully used to consider the conformational property of constrained polymers. The conformational properties of the polymers close to the walls exhibit different features. The density profiles of polymers are enhanced near the wall of the nanocylinder, which shows that the packing densities differ near the wall and far from the wall. The highest densities near the wall of the nanocylinder decrease with increasing radius of the nanocylinder. Furthermore, the density excess is not only near the wall of the nanocylinder, but also shifts to the center of the nanocylinder at lower temperatures. The radius of gyration and the bond length of polymers in the nanocylinder show that the polymer chains tend to extend along the axis of the nanocylinder in highly confined nanocylinder and contract at lower temperature. Our results are very helpful in understanding the packing induced physical behaviors of polymers in nanocylinders, such as glass transition, crystallization,etc.
基金Funded by the Guangxi Natural Science Foundation (No.0731005)the Open Foundation of the Key Lab of New Processing Technology for Nonferrous Metals and Materials (No.6XKFJ-06)
文摘Titanium nitride （TiN） films were deposited on Si（100） substrates by laser molecular beam epitaxy（LMBE）,and their properties of structure and resistivity with varying N2 pressure were investigated.The results showed that atomically flat TiN films with layer-by-layer growth mode were successfully grown on Si（100） substrates,and （200） was the preferred orientation.With the increasing of N2 pressure,the N/Ti ratio gradually increased and the diffraction peak progressively shifted towards lower diffraction angle.At pressure of 0.1 Pa,stoichiometric TiN film was formed which exhibited the characteristic diffraction angle of （200） plane.All films showed high reflectance to infrared spectrum and the films with overstoichiometry and understoichiometry had a higher resistivity owing to the surface particles and lattice distortion,while the stoichiometric TiN film depicted the minimum resistivity,around 19 μΩ·cm.
基金This work was supported by National Key Basic Research and Development Programme of China(No.G2000028202 and No.G2000028203)the Science and Technology Program of Jiangmen City,Guangdong Provincethe Scientifie Research Program of Jinan University for Excellents(No.51204056).
文摘Raman scattering spectroscopy and scanning electron microscopy (SEM) techniques were used to determine the structural properties of two typical series of microc rystalline silicon (μc-Si:H) films deposited at different VHF plasma power and different working gas pressure by very high frequency plasma enhanced chemical v apor deposition (VHF-PECVD) technique. Raman spectra measurements show that both crystalline volume fraction Xc and average grain size d of μc-Si : H films ar e strongly affected by the two deposition conditions and are more sensitive to w orking gas pressure than VHF plasma power. SEM characterizations have further co nfirmed that VHF plasma power and working gas pressure could clearly enhance the surface roughness of μc-Si : H films ascribing to polymerization reactions, w hich is also more sensitive to working gas pressure than VHF plasma power.
文摘Objective. To evaluate the effects of alendronate on the structural properties of trabecular bone.Methods. Alendronate was administered at a daily p. o. dose of 0. 5 mg/kg over a 12-week period in hound dogs (n = 8 for both the control and treated group), and the structural indices of the lumbar vertebral (LI and L2) trabecular bone were assessed directly from 3-D images.Results. Treatment with alendronate increased bone volume fraction by 9. 5% and 7. 7% in L1 and L2 respectively. Trabecular thickness significantly increased after alendronate treatment, whereas trabecular separation remained constant. The degree of anisotropy for the alendronate - treated group was decreased compared with that of the control group. Bone surface to volume ratio declined significantly in the alendronate-reated group, whereas alendronate induced a higher bone surface density.Conclusion. Alendronate increased the structural properties of canine trabecular bone after short-term treatment at a dose of 0. 5 mg · kg-1·day-1.
文摘The structure and crystal phase of the nanocrystalline powders of Ni1-xCdxFe2O4（0≤x≤0.5） mixed ferrite, synthesized by wet chemical co-precipitation method, were characterized by X-ray diffraction. Results showed that the lattice parameter increased with increasing Cd concentration. Microstructure was studied by scanning electron microscopy. TG/DTA studies were carried out on co-precipitated sulphate complexes. These studies revealed the low ferritization temperature （650 ℃） of the ferrite system synthesized by presently adopted route of synthesis and occurrence of simultaneous decomposition and ferritization processes. Further studies by infrared spectroscopy were also conducted. Moreover, magnetic properties of the prepared nanoparticles were studied by magnetization and a.c. susceptibility measurements. The response of prepared Ni1-xCdxFe2O4 mixed ferrites to magnetic field was investigated. Results show that, magnetic susceptibility, Curie temperature, and effective magnetic moment decreased as the Cd content increases.
基金supported financially by the National Natural Science Foundation of China(52205308,22208120)the China Postdoctoral Science Foundation(2022M711300).
文摘Flexible sensors,a class of devices that can convert external mechanical or physical signals into changes in resistance,capacitance,or current,have developed rapidly since the concept was first proposed.Due to the special properties and naturally occurring excellent microstructures of biomaterials,it can provide more desirable properties to flexible devices.This paper systematically discusses the commonly used biomaterials for bio-based flexible devices in current research applications and their deployment in preparing flexible sensors with different mechanisms.According to the characteristics of other properties and application requirements of biomaterials,the mechanisms of their functional group properties,special microstructures,and bonding interactions in the context of various sensing applications are presented in detail.The practical application scenarios of biomaterial-based flexible devices are highlighted,including human-computer interactions,energy harvesting,wound healing,and related biomedical applications.Finally,this paper also reviews in detail the limitations of biobased materials in the construction of flexible devices and presents challenges and trends in the development of biobased flexible sensors,as well as to better explore the properties of biomaterials to ensure functional synergy within the composite materials.
