To oberserve the changes in histopathology and clinical effect after the treatment of superficial scars in human faces and exposed parts of human extremities with crystallitic dermabrasion.Methods The machine made in ...To oberserve the changes in histopathology and clinical effect after the treatment of superficial scars in human faces and exposed parts of human extremities with crystallitic dermabrasion.Methods The machine made in Italy can produce the high speed crystallite to the surface of the scar,resulting in the alveolate wounds.At the same time the crystolitic drill make the accidented scar smooth.Results Two thousands and five hundreds and thirty eight suffers were treated for 2~10 times.The appearance of the scars was improved.Six patients complicated with milium,Eleven got hypopigmentation,eight got hypomelanotation.Eighty percent patients of this groups got pigmentation after the treatment.This signs disappeared or improved after 2~6 months.Histopathology demonstrated the scar area became small,the fibroblasts increased remarkably and the collagenous fiber arranged regularly.The cells in the stratum spinosum proliferated actively.Conclusion Crystallitic dermabrasion is a simple and safe method for the treatment of skin superficial scars.5 refs,4 figs.展开更多
Nitrogen processed, cold sprayed commercially pure(CP)-Al coatings on Mg-based alloys mostly lack acceptable hardness, wear resistance and most importantly are highly susceptible to localized corrosion in chloride con...Nitrogen processed, cold sprayed commercially pure(CP)-Al coatings on Mg-based alloys mostly lack acceptable hardness, wear resistance and most importantly are highly susceptible to localized corrosion in chloride containing solutions. In this research, commercially pure α-Ti top coating having good pitting potential(~1293 mV_(SCE)), high microhardness(HV_(0.025): 263.03) and low wear rate was applied on a CP-Al coated Mg-based alloy using high pressure cold spray technology. Potentiodynamic polarization(PDP) curves indicated that the probability of transition from metastable pits to the stable pits for cold spayed(CS) Al coating is considerably higher compared to that with the CS Ti top coating(for Ti/Al/Mg system). In addition, CS Ti top coating was in the passivation region in most pH ranges even after 48 h immersion in 3.5 wt% NaCl solution. The stored energy in the CS Ti top coating(as a passive metal) was presumed to be responsible for the easy passivation. Immersion tests indicated no obvious pits formation on the intact CS Ti top coating surface and revealed effective corrosion protection performance of the CS double layered noble barrier coatings on Mg alloys in 3.5 wt% NaCl solution even after 264 h.展开更多
To improve oil quality,ZSM-22/SAPO-11 composite molecular sieves were synthesized by adding ZSM-22 into a synthetic gel of SAPO-11 for n-decane hydroisomerization.The mass ratios of ZSM-22/(ZSM-22+SAPO-11)in the compo...To improve oil quality,ZSM-22/SAPO-11 composite molecular sieves were synthesized by adding ZSM-22 into a synthetic gel of SAPO-11 for n-decane hydroisomerization.The mass ratios of ZSM-22/(ZSM-22+SAPO-11)in the composite molecular sieves were optimized and the optimal ZSM-22/SAPO-11 composite(ZS-9)was obtained.The electrostatic repulsions between the ZSM-22 precursors and the SAPO-11 crystalline nuclei produced small ZSM-22 and SAPO-11 crystallites in ZS-9,which increased the specific surface area and mesopore volume and thereby exposed more acid sites.In comparison with conventional SAPO-11,ZSM-22 and their mechanical mixture,ZS-9 with smaller crystallites and the optimal medium and strong Brønsted acid centers(MSBAC)content displayed a higher yield of branched C_(10) isomers(81.6%),lower cracking selectivity(11.9%)and excellent stability.The correlation between the i-C_(10) selectivity and the MSBAC density of molecular sieves indicated that the selectivity for branched C_(10) isomers first increased and then decreased with increasing MSBAC density on the molecular sieves,and the maximum selectivity(87.7%)occurred with a density of 9.6×10^(−2)μmol m^(−2).展开更多
Anti-parallel β-sheet crystallite as the main component of silk fibroin has attracted much attention due to its superior mechanical properties. In this study, we examine the processes of pulling a peptide chain from ...Anti-parallel β-sheet crystallite as the main component of silk fibroin has attracted much attention due to its superior mechanical properties. In this study, we examine the processes of pulling a peptide chain from β-sheet crystallite using steered molecular dynamics simulations to investigate the rupture behavior of the crystallite. We show that the failure of β-sheet crystallite was accompanied by a propagation of instability of hydrogen-bonds (H-bonds) in the crystallite. In addition, we find that there is an optimum size of the crystallite at which the H-bonds can work cooperatively to achieve the highest shear strength. In addition, we find that the stiffness of loading device and the loading rates have significant effects on the rupture behavior of β-sheet crystallite. The stiff loading device facilitates the rebinding of the Hbond network in the stick-slip motion between the chains, while the soft one suppresses it. Moreover, the rupture force of β-sheet crystallites decreases with loading rate. Particularly, when the loading rate decreases to a critical value, the rupture force of the β-sheet crystallite becomes independent of the loading rates. This study provides atomistic details of rupture behaviors of β-sheet crystallite, and, therefore, sheds valuable light on the underlying mechanism of the superior mechanical properties of silk fibroin.展开更多
Perovskite-like oxide La2-xSrxCuO4 (x = 0, 1) single crystallites with microrod-like morphologies and tetragonal crystal structures were prepared hydrothermally at 240 ℃ with poly(ethylene glycol) (PEG) or hexa...Perovskite-like oxide La2-xSrxCuO4 (x = 0, 1) single crystallites with microrod-like morphologies and tetragonal crystal structures were prepared hydrothermally at 240 ℃ with poly(ethylene glycol) (PEG) or hexadecyltrimethyl ammonium bromide (CTAB) as a surfactant and after calcination at 850 ℃. The physicochemical properties of the materials were characterized by means of XRD, BET, SEM, TEM/SAED (selected-area electron diffraction), XPS and H2-TPR techniques. It is found that doping Sr2+ to La2CuO4 lattice enhanced the catalytic activity for methane combustion and the LaSrCuO4 catalyst derived from PEG is the best among the tested ones. It is concluded that factors, such as adsorbed oxygen species concentration, reducibility and surface area, determined the catalytic performance of such single-crystalline materials.展开更多
Titanium based IrO2 +Ta2O5 oxide anodes with different compositions and pyrolysis temperatures were prepared by termodecompoisition method. By using X-ray diffraction (XRD), the structure and texture coefficient of th...Titanium based IrO2 +Ta2O5 oxide anodes with different compositions and pyrolysis temperatures were prepared by termodecompoisition method. By using X-ray diffraction (XRD), the structure and texture coefficient of the coatings, TC(hkl), of IrO2 rutile crystal have been tested. It showed that, the crystallization processes of IrO2 and Ta2O5 in xIrO2 +(100-x) Ta2 O5 (x is in mol%) films affected and confined each other.In the mixed system, IrO2 rutile phase existed as a solid solution with Ta, and attained the maximum solubility when x=70mol%, i.e. for the coating of 70% IrO2 +Ta2O5.For the coatings of low iridium content or at low preparing tem pemture, (110) and (101) pwtered orientations were dominant. However, preferred growth of IrO2 weakened with increasing either iridium content or temperature. Three typical surface morphologies were observed by using scanning electron tnicroscopy(SEM). The crystallite size of the mixed oxide coatings were finest for the the film of 70%IrO2 +30%Ta2O5,and decreased with the pyrolysis tempemture. As the results of the finest crystallite segregating on sudece and the maxitnum solid solubility of Ir and Ta component in deposits, the coatings with the composition of 70%IrO2 +Ta2O5 prepared at 450℃ presented the mdrimutn electrocatalgtic activitg for O2 evolution in 0. 5M H2SO4 solution.UP to 550℃, Ti base suffered to oxidation resulting in decreasing anode conductivity,therefore, coatings performed a low activity.展开更多
The effects of crystallite size on the physicochemical properties and surface defects of pure monoclinic ZrO_(2) catalysts for isobutene synthesis were studied.We prepared a series of monoclinic ZrO_(2) catalysts with...The effects of crystallite size on the physicochemical properties and surface defects of pure monoclinic ZrO_(2) catalysts for isobutene synthesis were studied.We prepared a series of monoclinic ZrO_(2) catalysts with different crystallite size by changing calcination temperature and evaluated their catalytic performance for isobutene synthesis from syngas.ZrO_(2) with small crystalline size showed higher CO conversion and isobutene selectivity,while samples with large crystalline size preferred to form dimethyl ether(DME)instead of hydrocarbons,much less to isobutene.Oxygen defects(ODefects)analyzed by X-ray photoelectron spectroscopy(XPS)provided evidence that more ODefectsoccupied on the surface of ZrO_(2) catalysts with smaller crystalline size.Electron paramagnetic resonance(EPR)and ultraviolet–visible diffuse reflectance(UV–vis DRS)confirmed the presence of high concentration of surface defects and Zr3+on mZrO_(2)-5.9 sample,respectively.In situ diffuse reflectance infrared Fourier transform spectroscopy(in situ DRIFTS)analysis indicated that the adsorption strength of formed formate species on catalyst reduced as the crystalline size decreased.These results suggested that surface defects were responsible for CO activation and further influenced the adsorption strength of surface species,and thus the products distribution changed.This study provides an in-depth insight for active sites regulation of ZrO_(2) catalyst in CO hydrogenation reaction.展开更多
Man (Nondestr Test Eval 15:191-214, 1999) derived the constitutive relation of a weakly-textured orthorhombic aggregate of cubic crystallites with effects of microstructure and initial stress. In this paper, a comp...Man (Nondestr Test Eval 15:191-214, 1999) derived the constitutive relation of a weakly-textured orthorhombic aggregate of cubic crystallites with effects of microstructure and initial stress. In this paper, a computational expression on the integration ∫SO(3) Q^× D^1m0dg is given. Then, by means of the computational expression, the general constitutive relation of a weakly-textured anisotropic polycrystal with the consideration of microstructure and initial stress is derived. As special cases of our general constitutive relation, two constitutive relations are given for an isotropic polycrystal and a weakly-textured anisotropic aggregate of cubic crystallites. The acoustoelastic tensor of the reference cubic crystal is derived to determine the material constants of the polycrystal. Two examples are given for understanding the physical meaning of the texture coefficients and the constitutive relations.展开更多
A novel mechano-synthesis method has been elaborated in this work for the design of efficient cobalt-based Fischer–Tropsch catalysts. The process aims to reduce the total number of steps involved in the synthesis of ...A novel mechano-synthesis method has been elaborated in this work for the design of efficient cobalt-based Fischer–Tropsch catalysts. The process aims to reduce the total number of steps involved in the synthesis of solid catalysts and thus to avoid relevant toxic solutions generated during the catalyst preparation. The mechano-synthesis of the Co/Al2O3catalyst was processed in a low-energy vibratory micro mill and high energy planetary ball mill. Porous spherical γ-aluminas (1860?μm and 71?μm mean particle diameter) were used in this work as host compounds. Co3O4(3?μm mean particle diameter) has provided guest particles for mechano-synthesis. The catalysts were characterized by textural (surface area, porosity and particle size) and structural analyses (X-ray diffraction, TPR, SEM-EDX and microprobe). The microprobe images show deposition of Co3O4on the surface of the alumina and indicated no Co3O4diffusion inside the alumina pores. SEM-EDX mapping illustrated that cobalt coating tended to occur on surface of rounded shape of cracked alumina fragments. After milling, the crystallite size of Co3O4decreased to 15?nm from 30 to 50?nm. The TPR profiles indicated very low concentrations of inactive cobalt aluminate mixed compounds which are usually produced during the catalyst preparation by impregnation. In Fischer–Tropsch synthesis, the catalysts prepared using mechano-synthesis methods showed catalytic performance comparable to the catalysts prepared by impregnation. ? 2016 Science Press展开更多
60CeO2-40TiO2 thin films were deposited on soda-lime silicate glass substrates by R.F. magnetron sputtering. The effects of heat-treatment on the UV-absorption of the thin films were studied on the 60CeO2-40TiO2 thin ...60CeO2-40TiO2 thin films were deposited on soda-lime silicate glass substrates by R.F. magnetron sputtering. The effects of heat-treatment on the UV-absorption of the thin films were studied on the 60CeO2-40TiO2 thin film with the largest UV cut-off wavelength. The sample films with CeO2:TiO2=60:40 were heated at 773 K, 873 K, 973 K for 30 min. These films are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy and spectrometer (XPS). XRD analysis proves that the addition of TiO2 to CeO2 changed the crystalline state of CeO2. But the UV absorption effect of CeO2-TiO2 films with CeO2 crystallite phase is inferior to that of the amorphous phase CeO2-TiO2 films. XPS analysis also indicates that the amorphous phase CeO2-TiO2 films have the most Ce3+ content in these films. Amorphous phase and crystalline phase of the CeO2-TiO2 films have different effects on UV absorption of the thin films.展开更多
Erbium doped ZnO nanocrystals were synthesized through solid state reaction route. A detailed structural study was carried out by using X-ray diffraction (XRD) data. This work investigates the changes occurred to the ...Erbium doped ZnO nanocrystals were synthesized through solid state reaction route. A detailed structural study was carried out by using X-ray diffraction (XRD) data. This work investigates the changes occurred to the hexagonal wurtzite crystal lattice of ZnO due to the incorporation of Er3+ based on crystalline size. The chemical composition of the samples was confirmed using Energy Dispersive Spectra (EDS) data analysis. Decrease in average crystallite size with increase in rare earth concentration was observed in XRD. The frequency dependence of dielectric constant (εr), dielectric loss (tanδ) and AC conductivity of pure and rare earth doped ZnO were calculated and well explained with Maxwell-Weigner model.展开更多
The Mg/MoS2 composites were prepared by ball milling under argon atmosphere,and the effect of MoS2 on the crystal structure and hydrogen storage properties of Mg was investigated.It is found that 10 wt% of MoS2 is suf...The Mg/MoS2 composites were prepared by ball milling under argon atmosphere,and the effect of MoS2 on the crystal structure and hydrogen storage properties of Mg was investigated.It is found that 10 wt% of MoS2 is sufficient to prevent particle aggregation and cold welding during the milling process.The crystallite size of Mg will remain constant at slightly less than 38.8 nm with the milling process due to the size confinement effect of MoS2.The dehydrogenation temperature of MgH2 is reduced to 390.4-429.4 ℃ due to the crystallite size reduction.Through fitting by Johnson-Mehl-Avrami model,it is found that Mg crystal grows by three dimension controlled by interface transformation during the process of MgH2 decomposition.MoS2 has a weak catalyst effect on the decomposition of MgH2 and activation energy of 148.9 k J/mol is needed for the dehydrogenation process calculated by the Arrhenius equation.展开更多
Fabrication of PVDF films has been making using Hot Roll Press. Preparation of samples carried out for nine different temperatures. This condition is carried out to see the effect of temperature fabrication on electri...Fabrication of PVDF films has been making using Hot Roll Press. Preparation of samples carried out for nine different temperatures. This condition is carried out to see the effect of temperature fabrication on electrical properties and crystallite size of PVDF films. The electrical properties like as surface resistivity are discussion focus in this paper. Surface resistivity properties of PVDF can be improved by mechanical treatment on the varying film thickness and the temperature. To obtain the diffraction pattern of sample characterization is performed using X-Ray Diffraction. Crystallite size of PVDF films calculate from broadening pattern of X-Ray Diffraction. Furthermore, from the diffraction pattern calculated β fraction and crystallite size, for calculation to determine the crystallite size of the sample by using the Scherrer equation. Has been obtained an increase piezoelectric properties of PVDF films that characterized by increasing β fraction. Have been obtained β fraction increased from 25.4% up to 44% for temperatures of 130°C up to 170°C, respectively. Resistivity value has been obtained at temperature 130°C up to 170°C, decreased from 1.23 × 104 Wm up to 0.21 × 104 Wm respectively. From the experimental results and the calculation of crystallite sizes obtained for the samples with temperature 130°C up to 170°C respectively are increased from 7.2 nm up to 20.54 nm. These results indicate that mechanical treatment caused increase β fraction and decrease surface resistivity. Increasing temperatures will also increase the size of the crystallite of the sample. This happens because with the increasing temperature causes the higher the degree of crystallization of PVDF film sample is formed, so that the crystallite size also increases.展开更多
A low-cost rout for modification the polyacrylontrile(PAN) precursor fibers was developed.The approach involved pretreatment PAN precursor fibers with UV irradiation for various periods of time before the fibers wer...A low-cost rout for modification the polyacrylontrile(PAN) precursor fibers was developed.The approach involved pretreatment PAN precursor fibers with UV irradiation for various periods of time before the fibers were stabilized.The effect of UV irradiation on the chemical structure,orientation factor,density,crystallite size and morphology of the fibers in the process of stabilization was characterized by use of fourier transform infrared spectroscopy(FTIR),float-sink procedure,X-ray diffraction(XRD),scanning electron microscope(SEM),respectively.The results showed that UV irradiation could increase the density of the fibers in stabilization process.FTIR analysis indicated that the cyclization of nitrile groups was initiated at room temperature by UV irradiation.The transformation of C≡N groups to C=N ones was accelerated in the process of stabilization.The orientation factor of irradiated fibers was also increased.The crystallite size was decreased at first and increased later,and the better irradiation time of UV was 3 min according to the XRD test.SEM analysis indicated that irradiation could decrease the internal and surface defects of the stabilized fibers treated at 300 ℃.展开更多
This work is devoted to the synthesis and characterization of yttrium-doped SrBi_2Nb_2O_9 ceramics prepared by three methods: solid state reaction, co-precipitation, and hydrothermal. Multiple characterizations, speci...This work is devoted to the synthesis and characterization of yttrium-doped SrBi_2Nb_2O_9 ceramics prepared by three methods: solid state reaction, co-precipitation, and hydrothermal. Multiple characterizations, specifically scanning electron microscopy(SEM), X-ray powder diffraction(XRD), and Fourier transform infrared spectroscopy(FTIR), were used to validate the structural feature. The crystallite size was estimated by Scherrer's formula and the Williamson–Hall plot. The effect of the process on the band intensities of the FTIR spectra was investigated. The crystallite size and microstructure of ceramics prepared from different synthesis processes were strongly influenced by the sinterability. SEM images revealed nanograin ceramics for materials prepared by co-precipitation and hydrothermal methods and micrograin ceramics prepared by the solid state method. The synthesized compounds underwent phase transitions at 480–465°C. The dielectric and electrical properties of these Y-doped SrBi_2Nb_2O_9 ceramics appear to be dependent on the grain size.展开更多
Carbon nanotube (CNT)/maleic acid anhydride (MAH)-grafted polypropylene (PP) composites were prepared by in situ grafting method. Infrared spectroscopy showed that the CNTs were linked to PP by MAH grafting. The...Carbon nanotube (CNT)/maleic acid anhydride (MAH)-grafted polypropylene (PP) composites were prepared by in situ grafting method. Infrared spectroscopy showed that the CNTs were linked to PP by MAH grafting. The microstructures and calorimetry analysis indicated that the crystallization behaviors of the filled and unfilled PP were quite different. The addition of CNTs dramatically reduced the spherulite size, increased crystallization rate and improved the thermal stability of PP. These results confirmed the expected nucleant effect of CNT on the crystallization of PP. Scanning and transmission electron microscopy showed that the CNTs were dispersed homogeneously, indicating that the original CNT bundles were separated into individual tubes by the grafting.展开更多
Grain structure, dendrite morphologies and shape of MC type carbides ina nickel-base superalloy IN 738 LC are investigated with the addition of carbides,boride, nitride and intermetallic compounds. The results show th...Grain structure, dendrite morphologies and shape of MC type carbides ina nickel-base superalloy IN 738 LC are investigated with the addition of carbides,boride, nitride and intermetallic compounds. The results show that the grain size of theingots can be refined extensively to the order of ASTM M11~12 by combination of anintermetallic compound NixAly, addition together with lowering melt homogeneoustreatment temperature during the melting and casting process. In addition, the processcould restrain the formation of script-type carbides. The new process does not changethe phase constitution, freezing characteristics and sub-structure stability. Therefore, itis considered as an effective and practical method of grain refinement for superalloys.展开更多
A commercial lanthanum oxide was modified into X%-La2O3 samples via partial dissolution and regrowth of crystallites, wherein the X value denotes the weight percent of the initial metal oxide powder dissolved by nitri...A commercial lanthanum oxide was modified into X%-La2O3 samples via partial dissolution and regrowth of crystallites, wherein the X value denotes the weight percent of the initial metal oxide powder dissolved by nitric acid. BET measurements and TEM observations indicate that the 20%-La2O3 sample has an increased specific surface area, relatively thin and small crystallites in size. TPD/TPR profiles also show that the 20%-La2O3 sample has more surface active oxygen than the 0%-La2O3 sample. Among the four X%-La2O3 samples, the highest activity for methane oxidation was obtained over the 20%-La2O3 sample. Therefore, the present work proves that the method of partial dissolution and regrowth of crystallites are effective to modify surface property of lanthanum oxide.展开更多
文摘To oberserve the changes in histopathology and clinical effect after the treatment of superficial scars in human faces and exposed parts of human extremities with crystallitic dermabrasion.Methods The machine made in Italy can produce the high speed crystallite to the surface of the scar,resulting in the alveolate wounds.At the same time the crystolitic drill make the accidented scar smooth.Results Two thousands and five hundreds and thirty eight suffers were treated for 2~10 times.The appearance of the scars was improved.Six patients complicated with milium,Eleven got hypopigmentation,eight got hypomelanotation.Eighty percent patients of this groups got pigmentation after the treatment.This signs disappeared or improved after 2~6 months.Histopathology demonstrated the scar area became small,the fibroblasts increased remarkably and the collagenous fiber arranged regularly.The cells in the stratum spinosum proliferated actively.Conclusion Crystallitic dermabrasion is a simple and safe method for the treatment of skin superficial scars.5 refs,4 figs.
基金the financial support received from the National Science Foundation (NSF-CMMI 2131441) under the direction of Dr.Alexis Lewis。
文摘Nitrogen processed, cold sprayed commercially pure(CP)-Al coatings on Mg-based alloys mostly lack acceptable hardness, wear resistance and most importantly are highly susceptible to localized corrosion in chloride containing solutions. In this research, commercially pure α-Ti top coating having good pitting potential(~1293 mV_(SCE)), high microhardness(HV_(0.025): 263.03) and low wear rate was applied on a CP-Al coated Mg-based alloy using high pressure cold spray technology. Potentiodynamic polarization(PDP) curves indicated that the probability of transition from metastable pits to the stable pits for cold spayed(CS) Al coating is considerably higher compared to that with the CS Ti top coating(for Ti/Al/Mg system). In addition, CS Ti top coating was in the passivation region in most pH ranges even after 48 h immersion in 3.5 wt% NaCl solution. The stored energy in the CS Ti top coating(as a passive metal) was presumed to be responsible for the easy passivation. Immersion tests indicated no obvious pits formation on the intact CS Ti top coating surface and revealed effective corrosion protection performance of the CS double layered noble barrier coatings on Mg alloys in 3.5 wt% NaCl solution even after 264 h.
基金The authors gratefully acknowledge the financial support of Science Foundation of China University of Petroleum,Beijing(Grant No.KYJJ2012-03-03).
文摘To improve oil quality,ZSM-22/SAPO-11 composite molecular sieves were synthesized by adding ZSM-22 into a synthetic gel of SAPO-11 for n-decane hydroisomerization.The mass ratios of ZSM-22/(ZSM-22+SAPO-11)in the composite molecular sieves were optimized and the optimal ZSM-22/SAPO-11 composite(ZS-9)was obtained.The electrostatic repulsions between the ZSM-22 precursors and the SAPO-11 crystalline nuclei produced small ZSM-22 and SAPO-11 crystallites in ZS-9,which increased the specific surface area and mesopore volume and thereby exposed more acid sites.In comparison with conventional SAPO-11,ZSM-22 and their mechanical mixture,ZS-9 with smaller crystallites and the optimal medium and strong Brønsted acid centers(MSBAC)content displayed a higher yield of branched C_(10) isomers(81.6%),lower cracking selectivity(11.9%)and excellent stability.The correlation between the i-C_(10) selectivity and the MSBAC density of molecular sieves indicated that the selectivity for branched C_(10) isomers first increased and then decreased with increasing MSBAC density on the molecular sieves,and the maximum selectivity(87.7%)occurred with a density of 9.6×10^(−2)μmol m^(−2).
基金supported by the National Science Foundation of China (Grants 11025208, 11372042, 11221202, and 11202026)the support from CSIRO-Intelligent Processing TCP+1 种基金CAFHS’ Capability Development FundCSIRO-Advanced Materials TCP
文摘Anti-parallel β-sheet crystallite as the main component of silk fibroin has attracted much attention due to its superior mechanical properties. In this study, we examine the processes of pulling a peptide chain from β-sheet crystallite using steered molecular dynamics simulations to investigate the rupture behavior of the crystallite. We show that the failure of β-sheet crystallite was accompanied by a propagation of instability of hydrogen-bonds (H-bonds) in the crystallite. In addition, we find that there is an optimum size of the crystallite at which the H-bonds can work cooperatively to achieve the highest shear strength. In addition, we find that the stiffness of loading device and the loading rates have significant effects on the rupture behavior of β-sheet crystallite. The stiff loading device facilitates the rebinding of the Hbond network in the stick-slip motion between the chains, while the soft one suppresses it. Moreover, the rupture force of β-sheet crystallites decreases with loading rate. Particularly, when the loading rate decreases to a critical value, the rupture force of the β-sheet crystallite becomes independent of the loading rates. This study provides atomistic details of rupture behaviors of β-sheet crystallite, and, therefore, sheds valuable light on the underlying mechanism of the superior mechanical properties of silk fibroin.
基金supported by the National Natural Science Foundation of China (No. 20973017 and 21077007)the Creative Research Foundation of Beijing University Technology (No. 00500054R4003)the Creative Research Team of Beijing Municipality (No. PHR201007105)
文摘Perovskite-like oxide La2-xSrxCuO4 (x = 0, 1) single crystallites with microrod-like morphologies and tetragonal crystal structures were prepared hydrothermally at 240 ℃ with poly(ethylene glycol) (PEG) or hexadecyltrimethyl ammonium bromide (CTAB) as a surfactant and after calcination at 850 ℃. The physicochemical properties of the materials were characterized by means of XRD, BET, SEM, TEM/SAED (selected-area electron diffraction), XPS and H2-TPR techniques. It is found that doping Sr2+ to La2CuO4 lattice enhanced the catalytic activity for methane combustion and the LaSrCuO4 catalyst derived from PEG is the best among the tested ones. It is concluded that factors, such as adsorbed oxygen species concentration, reducibility and surface area, determined the catalytic performance of such single-crystalline materials.
文摘Titanium based IrO2 +Ta2O5 oxide anodes with different compositions and pyrolysis temperatures were prepared by termodecompoisition method. By using X-ray diffraction (XRD), the structure and texture coefficient of the coatings, TC(hkl), of IrO2 rutile crystal have been tested. It showed that, the crystallization processes of IrO2 and Ta2O5 in xIrO2 +(100-x) Ta2 O5 (x is in mol%) films affected and confined each other.In the mixed system, IrO2 rutile phase existed as a solid solution with Ta, and attained the maximum solubility when x=70mol%, i.e. for the coating of 70% IrO2 +Ta2O5.For the coatings of low iridium content or at low preparing tem pemture, (110) and (101) pwtered orientations were dominant. However, preferred growth of IrO2 weakened with increasing either iridium content or temperature. Three typical surface morphologies were observed by using scanning electron tnicroscopy(SEM). The crystallite size of the mixed oxide coatings were finest for the the film of 70%IrO2 +30%Ta2O5,and decreased with the pyrolysis tempemture. As the results of the finest crystallite segregating on sudece and the maxitnum solid solubility of Ir and Ta component in deposits, the coatings with the composition of 70%IrO2 +Ta2O5 prepared at 450℃ presented the mdrimutn electrocatalgtic activitg for O2 evolution in 0. 5M H2SO4 solution.UP to 550℃, Ti base suffered to oxidation resulting in decreasing anode conductivity,therefore, coatings performed a low activity.
基金financially supported by the Natural Science Foundation of China(21978312,21908235 and 21802155)the Key Research Program of Frontier Sciences,CAS(QYZDB–SSW–JS C043)+1 种基金Foundation of State Key Laboratory of Highefficiency Utilization of Coal and Green Chemical Engineering(2019-KF-05 and 2018-K22)Supported by Shanxi Scholarship Council of China and Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Province are also greatly appreciated。
文摘The effects of crystallite size on the physicochemical properties and surface defects of pure monoclinic ZrO_(2) catalysts for isobutene synthesis were studied.We prepared a series of monoclinic ZrO_(2) catalysts with different crystallite size by changing calcination temperature and evaluated their catalytic performance for isobutene synthesis from syngas.ZrO_(2) with small crystalline size showed higher CO conversion and isobutene selectivity,while samples with large crystalline size preferred to form dimethyl ether(DME)instead of hydrocarbons,much less to isobutene.Oxygen defects(ODefects)analyzed by X-ray photoelectron spectroscopy(XPS)provided evidence that more ODefectsoccupied on the surface of ZrO_(2) catalysts with smaller crystalline size.Electron paramagnetic resonance(EPR)and ultraviolet–visible diffuse reflectance(UV–vis DRS)confirmed the presence of high concentration of surface defects and Zr3+on mZrO_(2)-5.9 sample,respectively.In situ diffuse reflectance infrared Fourier transform spectroscopy(in situ DRIFTS)analysis indicated that the adsorption strength of formed formate species on catalyst reduced as the crystalline size decreased.These results suggested that surface defects were responsible for CO activation and further influenced the adsorption strength of surface species,and thus the products distribution changed.This study provides an in-depth insight for active sites regulation of ZrO_(2) catalyst in CO hydrogenation reaction.
基金This work was supported by the National Key Project for Basic Research under grant No. G2000067201 National Development Project for High Technology under Grant No. 2001AA331010.
基金the National Natural Science Foundation of China(10562004,10662004)the Natural Science Foundation of Jiangxi of China(0512021)+1 种基金the Science Foundation of Jiangxi Educational Department of China([2006]3)the Foundation of Train
文摘Man (Nondestr Test Eval 15:191-214, 1999) derived the constitutive relation of a weakly-textured orthorhombic aggregate of cubic crystallites with effects of microstructure and initial stress. In this paper, a computational expression on the integration ∫SO(3) Q^× D^1m0dg is given. Then, by means of the computational expression, the general constitutive relation of a weakly-textured anisotropic polycrystal with the consideration of microstructure and initial stress is derived. As special cases of our general constitutive relation, two constitutive relations are given for an isotropic polycrystal and a weakly-textured anisotropic aggregate of cubic crystallites. The acoustoelastic tensor of the reference cubic crystal is derived to determine the material constants of the polycrystal. Two examples are given for understanding the physical meaning of the texture coefficients and the constitutive relations.
基金supported by Unité de Catalyse et Chimie du Solide (UCCS)sponsor of scholarship: China scholarship council and School of Environment, Tsinghua University
文摘A novel mechano-synthesis method has been elaborated in this work for the design of efficient cobalt-based Fischer–Tropsch catalysts. The process aims to reduce the total number of steps involved in the synthesis of solid catalysts and thus to avoid relevant toxic solutions generated during the catalyst preparation. The mechano-synthesis of the Co/Al2O3catalyst was processed in a low-energy vibratory micro mill and high energy planetary ball mill. Porous spherical γ-aluminas (1860?μm and 71?μm mean particle diameter) were used in this work as host compounds. Co3O4(3?μm mean particle diameter) has provided guest particles for mechano-synthesis. The catalysts were characterized by textural (surface area, porosity and particle size) and structural analyses (X-ray diffraction, TPR, SEM-EDX and microprobe). The microprobe images show deposition of Co3O4on the surface of the alumina and indicated no Co3O4diffusion inside the alumina pores. SEM-EDX mapping illustrated that cobalt coating tended to occur on surface of rounded shape of cracked alumina fragments. After milling, the crystallite size of Co3O4decreased to 15?nm from 30 to 50?nm. The TPR profiles indicated very low concentrations of inactive cobalt aluminate mixed compounds which are usually produced during the catalyst preparation by impregnation. In Fischer–Tropsch synthesis, the catalysts prepared using mechano-synthesis methods showed catalytic performance comparable to the catalysts prepared by impregnation. ? 2016 Science Press
基金the National Natural Science Foundation of China(No.51032005)the Fundamental Research Funds for the Central Universities(Wuhan University of Technology)+1 种基金the China Postdoctoral Science Foundation(No.2012M511285)the Fund for the Young Innovative Team(Hubei University of Education)(No.2012KQ05)
文摘60CeO2-40TiO2 thin films were deposited on soda-lime silicate glass substrates by R.F. magnetron sputtering. The effects of heat-treatment on the UV-absorption of the thin films were studied on the 60CeO2-40TiO2 thin film with the largest UV cut-off wavelength. The sample films with CeO2:TiO2=60:40 were heated at 773 K, 873 K, 973 K for 30 min. These films are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy and spectrometer (XPS). XRD analysis proves that the addition of TiO2 to CeO2 changed the crystalline state of CeO2. But the UV absorption effect of CeO2-TiO2 films with CeO2 crystallite phase is inferior to that of the amorphous phase CeO2-TiO2 films. XPS analysis also indicates that the amorphous phase CeO2-TiO2 films have the most Ce3+ content in these films. Amorphous phase and crystalline phase of the CeO2-TiO2 films have different effects on UV absorption of the thin films.
文摘Erbium doped ZnO nanocrystals were synthesized through solid state reaction route. A detailed structural study was carried out by using X-ray diffraction (XRD) data. This work investigates the changes occurred to the hexagonal wurtzite crystal lattice of ZnO due to the incorporation of Er3+ based on crystalline size. The chemical composition of the samples was confirmed using Energy Dispersive Spectra (EDS) data analysis. Decrease in average crystallite size with increase in rare earth concentration was observed in XRD. The frequency dependence of dielectric constant (εr), dielectric loss (tanδ) and AC conductivity of pure and rare earth doped ZnO were calculated and well explained with Maxwell-Weigner model.
基金Funded by the National Natural Science Foundation of China(No.21176145)Graduate Student Innovation Fund of Shandong University of Science and Technology(YC140342)
文摘The Mg/MoS2 composites were prepared by ball milling under argon atmosphere,and the effect of MoS2 on the crystal structure and hydrogen storage properties of Mg was investigated.It is found that 10 wt% of MoS2 is sufficient to prevent particle aggregation and cold welding during the milling process.The crystallite size of Mg will remain constant at slightly less than 38.8 nm with the milling process due to the size confinement effect of MoS2.The dehydrogenation temperature of MgH2 is reduced to 390.4-429.4 ℃ due to the crystallite size reduction.Through fitting by Johnson-Mehl-Avrami model,it is found that Mg crystal grows by three dimension controlled by interface transformation during the process of MgH2 decomposition.MoS2 has a weak catalyst effect on the decomposition of MgH2 and activation energy of 148.9 k J/mol is needed for the dehydrogenation process calculated by the Arrhenius equation.
文摘Fabrication of PVDF films has been making using Hot Roll Press. Preparation of samples carried out for nine different temperatures. This condition is carried out to see the effect of temperature fabrication on electrical properties and crystallite size of PVDF films. The electrical properties like as surface resistivity are discussion focus in this paper. Surface resistivity properties of PVDF can be improved by mechanical treatment on the varying film thickness and the temperature. To obtain the diffraction pattern of sample characterization is performed using X-Ray Diffraction. Crystallite size of PVDF films calculate from broadening pattern of X-Ray Diffraction. Furthermore, from the diffraction pattern calculated β fraction and crystallite size, for calculation to determine the crystallite size of the sample by using the Scherrer equation. Has been obtained an increase piezoelectric properties of PVDF films that characterized by increasing β fraction. Have been obtained β fraction increased from 25.4% up to 44% for temperatures of 130°C up to 170°C, respectively. Resistivity value has been obtained at temperature 130°C up to 170°C, decreased from 1.23 × 104 Wm up to 0.21 × 104 Wm respectively. From the experimental results and the calculation of crystallite sizes obtained for the samples with temperature 130°C up to 170°C respectively are increased from 7.2 nm up to 20.54 nm. These results indicate that mechanical treatment caused increase β fraction and decrease surface resistivity. Increasing temperatures will also increase the size of the crystallite of the sample. This happens because with the increasing temperature causes the higher the degree of crystallization of PVDF film sample is formed, so that the crystallite size also increases.
基金Funded by the National Natural Science Foundation of China (No. 51073098)the State Key Laboratory of Polymer Material Engineering(Sichuan University) (Nos.KF200901 and 2030925123008)
文摘A low-cost rout for modification the polyacrylontrile(PAN) precursor fibers was developed.The approach involved pretreatment PAN precursor fibers with UV irradiation for various periods of time before the fibers were stabilized.The effect of UV irradiation on the chemical structure,orientation factor,density,crystallite size and morphology of the fibers in the process of stabilization was characterized by use of fourier transform infrared spectroscopy(FTIR),float-sink procedure,X-ray diffraction(XRD),scanning electron microscope(SEM),respectively.The results showed that UV irradiation could increase the density of the fibers in stabilization process.FTIR analysis indicated that the cyclization of nitrile groups was initiated at room temperature by UV irradiation.The transformation of C≡N groups to C=N ones was accelerated in the process of stabilization.The orientation factor of irradiated fibers was also increased.The crystallite size was decreased at first and increased later,and the better irradiation time of UV was 3 min according to the XRD test.SEM analysis indicated that irradiation could decrease the internal and surface defects of the stabilized fibers treated at 300 ℃.
文摘This work is devoted to the synthesis and characterization of yttrium-doped SrBi_2Nb_2O_9 ceramics prepared by three methods: solid state reaction, co-precipitation, and hydrothermal. Multiple characterizations, specifically scanning electron microscopy(SEM), X-ray powder diffraction(XRD), and Fourier transform infrared spectroscopy(FTIR), were used to validate the structural feature. The crystallite size was estimated by Scherrer's formula and the Williamson–Hall plot. The effect of the process on the band intensities of the FTIR spectra was investigated. The crystallite size and microstructure of ceramics prepared from different synthesis processes were strongly influenced by the sinterability. SEM images revealed nanograin ceramics for materials prepared by co-precipitation and hydrothermal methods and micrograin ceramics prepared by the solid state method. The synthesized compounds underwent phase transitions at 480–465°C. The dielectric and electrical properties of these Y-doped SrBi_2Nb_2O_9 ceramics appear to be dependent on the grain size.
基金supported by the National Natural Science Foundation of China(Nos.50772033,50372020)the Natural Science Fund in Hunan Province,China(No.2007FJ3003).
文摘Carbon nanotube (CNT)/maleic acid anhydride (MAH)-grafted polypropylene (PP) composites were prepared by in situ grafting method. Infrared spectroscopy showed that the CNTs were linked to PP by MAH grafting. The microstructures and calorimetry analysis indicated that the crystallization behaviors of the filled and unfilled PP were quite different. The addition of CNTs dramatically reduced the spherulite size, increased crystallization rate and improved the thermal stability of PP. These results confirmed the expected nucleant effect of CNT on the crystallization of PP. Scanning and transmission electron microscopy showed that the CNTs were dispersed homogeneously, indicating that the original CNT bundles were separated into individual tubes by the grafting.
文摘Grain structure, dendrite morphologies and shape of MC type carbides ina nickel-base superalloy IN 738 LC are investigated with the addition of carbides,boride, nitride and intermetallic compounds. The results show that the grain size of theingots can be refined extensively to the order of ASTM M11~12 by combination of anintermetallic compound NixAly, addition together with lowering melt homogeneoustreatment temperature during the melting and casting process. In addition, the processcould restrain the formation of script-type carbides. The new process does not changethe phase constitution, freezing characteristics and sub-structure stability. Therefore, itis considered as an effective and practical method of grain refinement for superalloys.
文摘A commercial lanthanum oxide was modified into X%-La2O3 samples via partial dissolution and regrowth of crystallites, wherein the X value denotes the weight percent of the initial metal oxide powder dissolved by nitric acid. BET measurements and TEM observations indicate that the 20%-La2O3 sample has an increased specific surface area, relatively thin and small crystallites in size. TPD/TPR profiles also show that the 20%-La2O3 sample has more surface active oxygen than the 0%-La2O3 sample. Among the four X%-La2O3 samples, the highest activity for methane oxidation was obtained over the 20%-La2O3 sample. Therefore, the present work proves that the method of partial dissolution and regrowth of crystallites are effective to modify surface property of lanthanum oxide.