The magnetic and structural properties in Co/Cu/Co sandwiches with Ni and Cr buffer layers were investigated. It was found that the coercivity in Ni layer buffered samples decreases with increasing Ni layer thickness,...The magnetic and structural properties in Co/Cu/Co sandwiches with Ni and Cr buffer layers were investigated. It was found that the coercivity in Ni layer buffered samples decreases with increasing Ni layer thickness, while that in Cr layer buffered ones increases with increasing Cr layer thickness, leading to a large difference in field sensitivity of their giant magnetoresistance (GMR) properties. X-ray diffraction and high resolution transmission electron microscope images exhibited that there is a strong fcc (111) texture in the samples with Ni buffer layer. But there are only randomly oriented potycrystalline grains in Cr buffered sandwiches. According to atomic force microscope topography, the surface roughness of Cr buffered sandwiches is smaller than that of Ni buffered ones. It is demonstrated that buffer layer influences both magnetic and structural properties in Co/Cu/Co sandwiches as well as their GMR characteristics.展开更多
The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasin...The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasing pressure and the a-axis is more compressible than the c axis. The Si–O bond distance decreases with increasing pressure, which is in contrast to experimental results reported by Hazen et al. [Hazen R M, Finger L W, Hemley R J and Mao H K 1989 Solid State Communications 725 507–511], and Glinnemann et al. [Glinnemann J, King H E Jr, Schulz H, Hahn T, La Placa S J and Dacol F 1992 Z. Kristallogr. 198 177–212]. The most striking changes are of inter-tetrahedral O–O distances and Si–O–Si angles. The volume of the SiO4^4- tetrahedron decreased by 0.9%（from 0 to 5 GPa）, which suggests that it is relatively rigid.Vibrational models of the quartz modes are identified by visualizing the associated atomic motions. Raman vibrations are mainly controlled by the deformation of the Si O4-4tetrahedron and the changes in the Si–O–Si bonds. Vibrational directions and intensities of atoms in all Raman modes just show little deviations when pressure increases from 0 to 5 GPa.The pressure derivatives（dνi/d P） of the 12 Raman frequencies are obtained at 0 GPa–5 GPa. The calculated results show that first-principles methods can well describe the high-pressure structural properties and Raman spectra of quartz. The combination of first-principles simulations of the Raman frequencies of minerals and Raman spectroscopy experiments is a useful tool for exploring the stress conditions within the Earth.展开更多
A new method to test rock abrasiveness is proposed based upon the dependence of rock abrasiveness on their structural and physico-mechanical properties. The article describes the procedure of presentation of propertie...A new method to test rock abrasiveness is proposed based upon the dependence of rock abrasiveness on their structural and physico-mechanical properties. The article describes the procedure of presentation of properties that govern rock abrasiveness on a canonical scale by dimensionless components, and the integrated estimation of the properties by a generalized index. The obtained results are compared with the known classifications of rock abrasiveness.展开更多
An improved method of fitting point-by-point is proposed to determine the absorption coefficient from infrared （IR） transmittance. With no necessity of empirical correction factors, the absorption coefficient can be...An improved method of fitting point-by-point is proposed to determine the absorption coefficient from infrared （IR） transmittance. With no necessity of empirical correction factors, the absorption coefficient can be accurately determined for the films with thin thicknesses. Based on this method, the structural properties of the hydrogenated amorphous silicon oxide materials （a-SiOx：H） are investigated. The oxygen-concentration-dependent variation of the Si-O-Si and the Si-H related modes in a-SiOx：H materials is discussed in detail.展开更多
High-pressure structural properties of tetramethylsilane are investigated by synchrotron powder x-ray diffraction at pressures up to 31.1 GPa and room temperature. A phase with the space group of Pnma is found to appe...High-pressure structural properties of tetramethylsilane are investigated by synchrotron powder x-ray diffraction at pressures up to 31.1 GPa and room temperature. A phase with the space group of Pnma is found to appear at 4.2 GPa. Upon compression, the compound transforms to two following phases： the phase with space groups of P2_1/c at 9.9 GPa and the phase with P2/m at 18.2 GPa successively via a transitional phase. The unique structural character of P2_1/c supports the phase stability of tetramethylsilane without possible decomposition upon heavy compression. The appearance of the P2/m phase suggests the possible realization of metallization for this material at higher pressure.展开更多
Growth of ln0.52Al0.48As epitaxial layers on lnP(100) substrates by molecular beam epitaxy at a wide range of arsenic overpressures (V/III flux ratios from 30 to 300) has been carried out. Analysis performed using low...Growth of ln0.52Al0.48As epitaxial layers on lnP(100) substrates by molecular beam epitaxy at a wide range of arsenic overpressures (V/III flux ratios from 30 to 300) has been carried out. Analysis performed using low-temperature photoluminescence (PL) and double-axis X-ray diffraction (XRD) shows a strong and prominent dependence of the PL and XRD linewidths on the V/III flux ratio. Under our growth conditions, both the PL and XRD linewidths exhibit a minimum point at a V/III flux ratio of 150 which corresponds to a maximum in the PL intensity and XRD intensity ratio. Flux ratios exceeding 150 result in an increase in both the PL and XRD linewidths corresponding to a reduction in their associated intensities. Room temperature Raman scattering measurements show a narrowing in the lnAs-like and AlAs-like longitudinal-optic (LO)phonon linewidths which broaden at high flux ratios, while the LO phonon frequencies exhibit a gradual reduction as the flux ratio is increased. PL spectra taken at increasing temperatures show a quenching of the main emission peak followed by the evolution of a broad lower energy emission which is possibly associated with deep lying centres. This effect is more prominent in samples grown at lower V/III flux ratios. Hall effect measurements show a gradual reduction in the mobility in correspondence to an increase in the electron concentration as the flux ratio is increased.展开更多
Growth and structural properties of thin a-C films prepared by the 60 MHz very-high-frequency（VHF） magnetron sputtering were investigated. The energy and flux of ions impinging the substrate were also analyzed. It i...Growth and structural properties of thin a-C films prepared by the 60 MHz very-high-frequency（VHF） magnetron sputtering were investigated. The energy and flux of ions impinging the substrate were also analyzed. It is found that the thin a-C films prepared by the 60 MHz sputtering have a lower growth rate, a smooth surface, and more sp3 contents.These features are related to the higher ion energy and the lower ions flux onto the substrate. Therefore, the 60 MHz VHF sputtering is more suitable for the preparation of thin a-C film with more sp3 contents.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
The geometries of resins with single-layer （SG）, double-layer （DG） and triple-layer （TG） were calculated with the quantum chemistry method. The geometries and net charges of atoms were obtained. The calculated a...The geometries of resins with single-layer （SG）, double-layer （DG） and triple-layer （TG） were calculated with the quantum chemistry method. The geometries and net charges of atoms were obtained. The calculated average distances between layers were 0.5348 nm and 0.5051 nm and the action energies were -9.6355 kJ/mol and -32.2803 kJ/mol for resins DG and TG, respectively. Higher electronegative polar atoms can easily form hydrogen bonds with hydrogen atoms of other resin molecules, resulting in resin aggregates. The minimum cross-sectional diameters of resin molecules are too large to enter the pores of zeolite, so they are likely to crack on the surface of zeolite.展开更多
Nd^3＋ doped CaO-Al2O-B2O3-CaF2 glasses were prepared by conventional melt-quenching technique,and their structural and thermal properties were studied.The amorphous nature of these samples was confirmed by X-ray diff...Nd^3＋ doped CaO-Al2O-B2O3-CaF2 glasses were prepared by conventional melt-quenching technique,and their structural and thermal properties were studied.The amorphous nature of these samples was confirmed by X-ray diffraction（XRD）.The measured density showed an increase with Nd2O3 doping,at the expense of CaO.Raman spectra presented changes with addition of Nd2O3,which indicated that the network structure of the glasses studied presented various borate groups,such as tetraborates,metaborates,ortho-borates and pyroborates units.The N4 values calculated from FTIR spectra revealed that incorporation of Nd2O3 into glass network converted the structural units from BO4 to BO3.From the analysis of DTA curves,we verified that Tg increased with the addition of Nd2O3;it was similar to the behavior caused by modifier oxides in the structure of borate glasses.Besides that,the calculated glass stability Tx–Tg for doped samples presented a decrease if compared to the undoped glass.Specific heat and thermal conductivity did not present significant changes with Nd2O3 concentration,up to 2.30 mol.%.The results of density,DTA,Raman and FTIR reinforced the idea that Nd2O3 acted as network modifier.展开更多
Bamboo shoot shell（BSS）,a by-product from bamboo shoot processing industries,is a natural resource of cellulose. In this study,high-pressure homogenization assisted with acidolysis treatment was employed to produce ...Bamboo shoot shell（BSS）,a by-product from bamboo shoot processing industries,is a natural resource of cellulose. In this study,high-pressure homogenization assisted with acidolysis treatment was employed to produce BSS cellulose nanofiber（CNF）,and the structure was characterized by powder X-ray diffraction（XRD）,Fourier-transform infrared（FT-IR） spectroscopy,atomic force microscopy（AFM）,high resolution transmission electron microscopy（HTTEM）,thermogravimetric analysis（TGA）,and ^13 C nuclear magnetic resonance（NMR）. Moreover,the structure and properties of CNF were compared with those of BSS insoluble dietary fiber（IDF）. The results showed that CNF was in the form of a grid-like micro fiber,and its particle size was obviously reduced,while the crystallinity,thermal stability and solubility were increased. The results indicated that high-pressure homogenization assisted with acidolysis treatment was an effective method to prepare the BSS CNF,which could be a promising biopolymer reinforced material.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
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
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
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
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
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
文摘The magnetic and structural properties in Co/Cu/Co sandwiches with Ni and Cr buffer layers were investigated. It was found that the coercivity in Ni layer buffered samples decreases with increasing Ni layer thickness, while that in Cr layer buffered ones increases with increasing Cr layer thickness, leading to a large difference in field sensitivity of their giant magnetoresistance (GMR) properties. X-ray diffraction and high resolution transmission electron microscope images exhibited that there is a strong fcc (111) texture in the samples with Ni buffer layer. But there are only randomly oriented potycrystalline grains in Cr buffered sandwiches. According to atomic force microscope topography, the surface roughness of Cr buffered sandwiches is smaller than that of Ni buffered ones. It is demonstrated that buffer layer influences both magnetic and structural properties in Co/Cu/Co sandwiches as well as their GMR characteristics.
基金Project supported by the Key Laboratory of Earthquake PredictionInstitute of Earthquake Science+1 种基金China Earthquake Administration(CEA)(Grant No.2012IES010201)the National Natural Science Foundation of China(Grant Nos.41174071 and 41373060)
文摘The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasing pressure and the a-axis is more compressible than the c axis. The Si–O bond distance decreases with increasing pressure, which is in contrast to experimental results reported by Hazen et al. [Hazen R M, Finger L W, Hemley R J and Mao H K 1989 Solid State Communications 725 507–511], and Glinnemann et al. [Glinnemann J, King H E Jr, Schulz H, Hahn T, La Placa S J and Dacol F 1992 Z. Kristallogr. 198 177–212]. The most striking changes are of inter-tetrahedral O–O distances and Si–O–Si angles. The volume of the SiO4^4- tetrahedron decreased by 0.9%（from 0 to 5 GPa）, which suggests that it is relatively rigid.Vibrational models of the quartz modes are identified by visualizing the associated atomic motions. Raman vibrations are mainly controlled by the deformation of the Si O4-4tetrahedron and the changes in the Si–O–Si bonds. Vibrational directions and intensities of atoms in all Raman modes just show little deviations when pressure increases from 0 to 5 GPa.The pressure derivatives（dνi/d P） of the 12 Raman frequencies are obtained at 0 GPa–5 GPa. The calculated results show that first-principles methods can well describe the high-pressure structural properties and Raman spectra of quartz. The combination of first-principles simulations of the Raman frequencies of minerals and Raman spectroscopy experiments is a useful tool for exploring the stress conditions within the Earth.
文摘A new method to test rock abrasiveness is proposed based upon the dependence of rock abrasiveness on their structural and physico-mechanical properties. The article describes the procedure of presentation of properties that govern rock abrasiveness on a canonical scale by dimensionless components, and the integrated estimation of the properties by a generalized index. The obtained results are compared with the known classifications of rock abrasiveness.
基金supported by the National Basic Research Program of China(Grant Nos.2011CBA00705,2011CBA00706,and 2011CBA00707)the National Natural Science Foundation of China(Grant No.60976051)the Program for New Century Excellent Talents in University of China(Grant No.NCET-08-0295)
文摘An improved method of fitting point-by-point is proposed to determine the absorption coefficient from infrared （IR） transmittance. With no necessity of empirical correction factors, the absorption coefficient can be accurately determined for the films with thin thicknesses. Based on this method, the structural properties of the hydrogenated amorphous silicon oxide materials （a-SiOx：H） are investigated. The oxygen-concentration-dependent variation of the Si-O-Si and the Si-H related modes in a-SiOx：H materials is discussed in detail.
基金Project supported by the Cultivation Fund of the Key Scientific and Technical Innovation Project from Ministry of Education of China(Grant No.708070)the Fundamental Research Funds for the Central Universities,South China University of Technology(Grant No.2014ZZ0069)+1 种基金the National Natural Science Foundation of China(Grant No.51502189)the Doctoral Project of Taiyuan University of Science and Technology,China(Grant No.20132010)
文摘High-pressure structural properties of tetramethylsilane are investigated by synchrotron powder x-ray diffraction at pressures up to 31.1 GPa and room temperature. A phase with the space group of Pnma is found to appear at 4.2 GPa. Upon compression, the compound transforms to two following phases： the phase with space groups of P2_1/c at 9.9 GPa and the phase with P2/m at 18.2 GPa successively via a transitional phase. The unique structural character of P2_1/c supports the phase stability of tetramethylsilane without possible decomposition upon heavy compression. The appearance of the P2/m phase suggests the possible realization of metallization for this material at higher pressure.
文摘Growth of ln0.52Al0.48As epitaxial layers on lnP(100) substrates by molecular beam epitaxy at a wide range of arsenic overpressures (V/III flux ratios from 30 to 300) has been carried out. Analysis performed using low-temperature photoluminescence (PL) and double-axis X-ray diffraction (XRD) shows a strong and prominent dependence of the PL and XRD linewidths on the V/III flux ratio. Under our growth conditions, both the PL and XRD linewidths exhibit a minimum point at a V/III flux ratio of 150 which corresponds to a maximum in the PL intensity and XRD intensity ratio. Flux ratios exceeding 150 result in an increase in both the PL and XRD linewidths corresponding to a reduction in their associated intensities. Room temperature Raman scattering measurements show a narrowing in the lnAs-like and AlAs-like longitudinal-optic (LO)phonon linewidths which broaden at high flux ratios, while the LO phonon frequencies exhibit a gradual reduction as the flux ratio is increased. PL spectra taken at increasing temperatures show a quenching of the main emission peak followed by the evolution of a broad lower energy emission which is possibly associated with deep lying centres. This effect is more prominent in samples grown at lower V/III flux ratios. Hall effect measurements show a gradual reduction in the mobility in correspondence to an increase in the electron concentration as the flux ratio is increased.
基金Project supported by the National Natural Science Foundation of China(Grant No.11275136)
文摘Growth and structural properties of thin a-C films prepared by the 60 MHz very-high-frequency（VHF） magnetron sputtering were investigated. The energy and flux of ions impinging the substrate were also analyzed. It is found that the thin a-C films prepared by the 60 MHz sputtering have a lower growth rate, a smooth surface, and more sp3 contents.These features are related to the higher ion energy and the lower ions flux onto the substrate. Therefore, the 60 MHz VHF sputtering is more suitable for the preparation of thin a-C film with more sp3 contents.
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.
文摘The geometries of resins with single-layer （SG）, double-layer （DG） and triple-layer （TG） were calculated with the quantum chemistry method. The geometries and net charges of atoms were obtained. The calculated average distances between layers were 0.5348 nm and 0.5051 nm and the action energies were -9.6355 kJ/mol and -32.2803 kJ/mol for resins DG and TG, respectively. Higher electronegative polar atoms can easily form hydrogen bonds with hydrogen atoms of other resin molecules, resulting in resin aggregates. The minimum cross-sectional diameters of resin molecules are too large to enter the pores of zeolite, so they are likely to crack on the surface of zeolite.
基金Project supported by the Brazilian agencies CNPq,CAPES and FAPEMA
文摘Nd^3＋ doped CaO-Al2O-B2O3-CaF2 glasses were prepared by conventional melt-quenching technique,and their structural and thermal properties were studied.The amorphous nature of these samples was confirmed by X-ray diffraction（XRD）.The measured density showed an increase with Nd2O3 doping,at the expense of CaO.Raman spectra presented changes with addition of Nd2O3,which indicated that the network structure of the glasses studied presented various borate groups,such as tetraborates,metaborates,ortho-borates and pyroborates units.The N4 values calculated from FTIR spectra revealed that incorporation of Nd2O3 into glass network converted the structural units from BO4 to BO3.From the analysis of DTA curves,we verified that Tg increased with the addition of Nd2O3;it was similar to the behavior caused by modifier oxides in the structure of borate glasses.Besides that,the calculated glass stability Tx–Tg for doped samples presented a decrease if compared to the undoped glass.Specific heat and thermal conductivity did not present significant changes with Nd2O3 concentration,up to 2.30 mol.%.The results of density,DTA,Raman and FTIR reinforced the idea that Nd2O3 acted as network modifier.
文摘Bamboo shoot shell（BSS）,a by-product from bamboo shoot processing industries,is a natural resource of cellulose. In this study,high-pressure homogenization assisted with acidolysis treatment was employed to produce BSS cellulose nanofiber（CNF）,and the structure was characterized by powder X-ray diffraction（XRD）,Fourier-transform infrared（FT-IR） spectroscopy,atomic force microscopy（AFM）,high resolution transmission electron microscopy（HTTEM）,thermogravimetric analysis（TGA）,and ^13 C nuclear magnetic resonance（NMR）. Moreover,the structure and properties of CNF were compared with those of BSS insoluble dietary fiber（IDF）. The results showed that CNF was in the form of a grid-like micro fiber,and its particle size was obviously reduced,while the crystallinity,thermal stability and solubility were increased. The results indicated that high-pressure homogenization assisted with acidolysis treatment was an effective method to prepare the BSS CNF,which could be a promising biopolymer reinforced material.
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.
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.
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.
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.
