Based on the X-ray scattering intensity theory,the correction factors of the degree of crystallinity formulae of the multicomponent polymers have been clearly defined.The formula of degree of erystallinity of the mult...Based on the X-ray scattering intensity theory,the correction factors of the degree of crystallinity formulae of the multicomponent polymers have been clearly defined.The formula of degree of erystallinity of the multicomponent polymers was derived in terms of the WAXD theory ahd improved graphic multipeak resolution methods.The results calculated are compatible with the density measurement.展开更多
The properties of synthetic graphite materials, widely used in advanced fields, are determined by their structure, which is formed in the process of high-temperature (~2500<span style="white-space:normal;"...The properties of synthetic graphite materials, widely used in advanced fields, are determined by their structure, which is formed in the process of high-temperature (~2500<span style="white-space:normal;"><span style="white-space:nowrap;">°</span></span><span style="white-space:normal;"></span>C) heat treatment. The fine structure of a graphitizing carbon material based on petroleum coke containing 1.3 wt% S at various stages of graphitization was studied by X-ray diffraction analysis. Some of the samples contained the addition of dispersed Fe<sub>2</sub>O<sub>3</sub>. It is shown that the heat-treated material in the range 1200<span style="white-space:normal;"><span style="white-space:nowrap;">°</span></span><span style="white-space:normal;"></span>C - 2600<span style="white-space:normal;"><span style="white-space:nowrap;">°</span></span><span style="white-space:normal;"></span>C is heterogeneous, its component composition is determined by the processing temperature and the presence of Fe<sub>2</sub>O<sub>3</sub> additive. The observed dependence of the component composition on the heat treatment temperature suggests that the process of graphitization of the carbon material, apparently, develops through a number of metastable states.展开更多
Cold worked and annealed supersaturated Cu-2.65Ni-0.6Si and Cu-2.35Ni-0.6Si-0.6Cr alloys were studied. The microstructural parameters evolution, including crystallite size, root mean square strain and dislocation dens...Cold worked and annealed supersaturated Cu-2.65Ni-0.6Si and Cu-2.35Ni-0.6Si-0.6Cr alloys were studied. The microstructural parameters evolution, including crystallite size, root mean square strain and dislocation density was analyzed using Materials Analysis Using Diffraction software （MAUD）. The parameters for both alloys have typical values of cold deformed and subsequently annealed copper based alloy. A net change of the crystallite size, root mean square strain and dislocation density values of the alloys aged at 450 °C for 2.5-3 h seems corresponding to the recovery and recrystallization processes. Addition of Cr as quaternary element did not lead to any drastic changes of post deformation or ageing microstructural parameters and hence of recovery-recrystallization kinetics.展开更多
Phosphorus(P)is an essential and limited resource.Incineration sewage sludge ash(ISSA)contains a high amount of P,which can be recovered using chemical leaching methods.However,the recovery ratio depends on the specia...Phosphorus(P)is an essential and limited resource.Incineration sewage sludge ash(ISSA)contains a high amount of P,which can be recovered using chemical leaching methods.However,the recovery ratio depends on the speciation of P and the leaching conditions.In this study,hydrochloric acid was used as a leaching agent,and the effects of the hydrochloric acid concentration,leaching time,temperature,and liquid-solid ratio on the P leaching ratio were investigated.Furthermore,the co-leaching of macro-metals Ca,Al,Fe,and Mg was analyzed.The results showed that P leached rapidly within 30 min,where the leaching rate reached more than 80%and then gradually stabilized.The leaching concentrations of Ca and Mg had a significant correlation(correlation coefficient r^(2)>0.90),and both were leached completely.Al and P had similar leaching patterns,where the leaching rates increased initially and then decreased with time at 0.2 mol/L HCl.According to X-ray diffraction analysis and Rietveld refinement,the P in ISSA was mainly present in the forms of Mg_(3)Ca_(3)(PO_(4))_(4) and AlPO_(4).When leached using 0.2 mol/L HCl at 55℃ with a liquid-to-solid ratio of 20 L/kg,the AlPO_(4) and Fe_(3)(H_(2)O)_(3)(PO_(4))_(2) in ISSA dissolved initially and then precipitated on the surface of the solid phase,thereby impeding further P leaching.展开更多
Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and ...Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and quantifying these superstructures hinder the optimization of pyrrhotite depression in flotation processes.To address this critical issue,synchrotron X-ray powder diffraction(S-XRPD)with Rietveld refinement was employed to quantify the distribution of superstructures in the feed and flotation concentrates of a copper–gold ore.To elucidate the mechanisms influencing depression,density functional theory(DFT)calculations were conducted to explore the electronic structures and surface reactivity of the pyrrhotite superstructures toward the adsorption of water,oxygen and hydroxyl ions(OH-)as dominant species present in the flotation process.S-XRPD analysis revealed that flotation recovery rates of pyrrhotite followed the order of 4C<6C<5C.DFT calculations indicated that the Fe 3d and S 3p orbital band centers exhibited a similar trend relative to the Fermi level with 4C being the closest.The Fe3d band center suggested that the 4C structure possessed a more reactive surface toward the oxygen reduction reaction,promoting the formation of hydrophilic Fe-OH sites.The S 3p band center order also implied that xanthate on the non-magnetic 5C and 6C surfaces could oxidize to dixanthogen,increasing hydrophobicity and floatability,while 4C formed less hydrophobic metal-xanthate complexes.Adsorption energy and charge transfer analyses of water,hydroxyl ions and molecular oxygen further supported the high reactivity and hydrophilic nature of 4C pyrrhotite.The strong bonding with hydroxyl ions indicated enhanced surface passivation by hydrophilic Fe–OOH complexes,aligning with the experimentally observed flotation order(4C<6C<5C).These findings provide a compelling correlation between experimental flotation results and electronic structure calculations,delivering crucial insights for optimizing flotation processes and improving pyrrhotite depression.This breakthrough opens up new opportunities to enhance the efficiency of flotation processes in the mining industry.展开更多
X-ray diffraction (XRD) peaks in a low-angle diffraction section of clayminerals, especially those of authigenic origin, have broadening and tailing features in shape.Using the five basic parameters, peak position, pe...X-ray diffraction (XRD) peaks in a low-angle diffraction section of clayminerals, especially those of authigenic origin, have broadening and tailing features in shape.Using the five basic parameters, peak position, peak height, width, shape coefficient and asymmetry,to describe an XRD peak is more accurate, comprehensive and integrated than using only 3 of them,position, height and width. Following the concept of the five basic parameters of an XRD peak, theprogram Decoform proposed in this study provides more information in mineralogical analyses byfitting actual XRD profiles. In combination with the HW-IR plot, Decoform can he systematically andaccurately used in the comprehensive analyses of crystallinity, domain size, lattice strain andquantitative phase. It is also of value for the geological investigations of diagenesis,metamorphism, basin maturity, structural stress field and so on.展开更多
Accuracy of coeffcient A_(isp) is related to the reference phase chosen during analysis. The cri- terion of choosing reference phase which may minimize the error of A_(isp) was deduced. The optimum results could be ob...Accuracy of coeffcient A_(isp) is related to the reference phase chosen during analysis. The cri- terion of choosing reference phase which may minimize the error of A_(isp) was deduced. The optimum results could be obtained by using the method of least squares if the number of sam- pies for analysis is more than the phase in samples. The procedure presented here is satisfacto- ryfor ordinary phase analysis.展开更多
The density,nature of the dislocations and distribution of the domain sizes in cold-deformed Pb-Ca-Sn solid solution were determined by X-ray diffraction profile analysis.The dislocation densities are of the order of ...The density,nature of the dislocations and distribution of the domain sizes in cold-deformed Pb-Ca-Sn solid solution were determined by X-ray diffraction profile analysis.The dislocation densities are of the order of 1010 cm-2.The strain broadening of diffraction profiles was accounted for by dislocation contrast factor.The coherent domain size was determined by the recently developed PM2K software package.Assuming that the domain size distribution is log-normal,the distribution function（median μ and variance σ） was calculated from the size parameters determined from X-ray diffraction profile analysis.展开更多
Flupirtine maleate, a pharmaceutical compound for treating psychotic disease in clinics, has seven polymorphs. Form A, with better crystal stability and bioavailability, has been widely used as the pharmaceutical crys...Flupirtine maleate, a pharmaceutical compound for treating psychotic disease in clinics, has seven polymorphs. Form A, with better crystal stability and bioavailability, has been widely used as the pharmaceutical crystal form. Unfortunately, it is usually found in a polymorphic mixture with form B. In this study, pure crystal forms of A and B were prepared and characterized by X-ray powder diffraction （XRPD）, Fourier transform infrared spectroscopy （FT-IR） and thermal analysis. An XRPD-based method for the quantitative determination of the amount of the flupirtine maleate polymorphs form A and form B was also established through a systematic optimization of instrumental parameters. The results of the analytical methodology validation showed that the XPRD method had a broad quantitative range of 0- 100% （w/w）, good linear relationship, with R2= 0.999, excellent repeatability and precision and low limits of detection （LoD） of 0.15% （w/w） and quantification （LoQ） of 0.5% （w/w）. The results also showed that the single-peak method was not as good as the whole pattern in reducing the influence of the preferred orientation, but this can be compensated for by a systematic optimization of instrumental parameters and validating the analytical methodology to reduce errors and obtain a good, repeatable, sensitive, and accurate method. This XRPD method can be used to analyze mixtures of flupirtine maleate polymorphs （forms A and B） quantitatively and control the quality of the bulk drug.展开更多
We study the effects of running coupling and gluon number fluctuations in the latest diffractive deep inelastic scattering data. It is found that the description of the data is improved once the running coupling and g...We study the effects of running coupling and gluon number fluctuations in the latest diffractive deep inelastic scattering data. It is found that the description of the data is improved once the running coupling and gluon number fluctuations are included with x2/d.o.f. = 0.867, x2/d.o.f. = 0.923 and x2/d.o.f. = 0.878 for three different groups of experimental data. The values of diffusive coefficient subtracted from the fit are smaller than the ones obtained by considering only the gluon number fluctuations in our previous studies. The smaller values of the diffusive coefficient are in agreement with the theoretical predictions, where the gluon number fluctuations are suppressed by the running coupling which leads to smaller values of the diffusive coefficient.展开更多
New high performance grouts with high volume stability and good fluidity were prepared with Portland cement and a multifunctional admixture (MFA). The theological characteristics and mechanical performance of the grou...New high performance grouts with high volume stability and good fluidity were prepared with Portland cement and a multifunctional admixture (MFA). The theological characteristics and mechanical performance of the grouts were investigated. The addition of MFA effectively improves the pseudo-plasticity of the grout. The Ma cone flow time decreases obviously, and the bleeding rate tends to be zero. The deformation behaviors of fresh mixture and hardened grout are systematically studied. Mercury injection method (MIP), scanning electron microscopy (SEM) and X-ray diffractory analysis experiments are used to analyze the microstructure evolution of the grouts, which manifests that the co-action of the early bubble reaction and the latter ettringite crystallization ensure the volume stability throughout the whole hydration process and result in refined pore structure of the grout.展开更多
Leaching is one of the major factors that alter the mechanical properties of cement-based composites.This study is aimed to investigate the effect of leaching on the properties of cement-based composites.Specimens wit...Leaching is one of the major factors that alter the mechanical properties of cement-based composites.This study is aimed to investigate the effect of leaching on the properties of cement-based composites.Specimens with two water/cementitious ratios and two mineral admixtures were tested.An electrical potential was applied to accelerate the leaching process.Compressive strength test,scanning electronic microscopy,thermogravimetric analysis and X-ray diffraction analysis were conducted.Test results demonstrated that the calcium leaching reduced compressive strengths of concrete specimens,and such effect was prominent on the specimens without mineral admixtures.The leaching resistance increased with a decrease in water/cementitious ratio and an increase in amount of mineral admixtures.The mineral admixtures would reduce the amount of calcium hydroxide and refine the pore structure through pozzolanic reactions.A fair relationship was found between the calcium leaching and the compressive strength.展开更多
Abstract： This study deals with the Fe65.5Cr4Mo4Ga4P12C5B5.5 ferromagnetic bulk amorphous alloy. XRD analysis showed an amorphous structure of the as-cast sample. The same method revealed that, after annealing at 973...Abstract： This study deals with the Fe65.5Cr4Mo4Ga4P12C5B5.5 ferromagnetic bulk amorphous alloy. XRD analysis showed an amorphous structure of the as-cast sample. The same method revealed that, after annealing at 973 K for v=10 min, the sample displayed a crystalline structure with crystalline phases formed. The crystallization process of the alloy was examined by DTA analysis. It was shown that crystallization took place in the temperature range between 810 K and 860 K with the exo-maximum peak temperature at 846 K with a heating rate of 20 K.min-1. The method also showed that, at temperatures ranging from 753 K to 810 K, the alloy exhibited the properties of supercooled liquids. A correlation between heat-induced structural changes and magnetic properties of the alloy was determined by thermomagnetic measurements. Maximum magnetization M=3.7 Am2.kg-1 of the alloy was reached after its annealing at 733 K for τ=10 min. Upon annealing, the alloy exhibited a relaxed amorphous structure. Annealing the alloy above the crystallization temperature led to a decrease in bulk magnetization. After annealing at 973 K for r=10 min, the bulk magnetization of the alloy was M＇=0.45 Am2.kg-1. Accordingly, after crystallization and formation of new compounds, the magnetization of the alloy was decreased by a factor of about 7.7. The strength of the magnetic field applied during the measurements was H=10 kA.m-1. The samples were tested for changes in the microstructure and hardness of both the amorphous phase and the resulting crystalline phase.展开更多
The forms and structures of the phases in Fe-Ni-Co-Nb-Ti-Si low expansion superal-loys have been studied using analytical electron microscopy, high resolution electron microscopy, chemical phase analysis, X-ray diffra...The forms and structures of the phases in Fe-Ni-Co-Nb-Ti-Si low expansion superal-loys have been studied using analytical electron microscopy, high resolution electron microscopy, chemical phase analysis, X-ray diffraction, etc. The effects of yttrium on the microstructures and properties in the superalloys have also been investigated. The results reveal that trace yttrium mainly located in the platelet precipitates makes the crystal structure changed. The platelet precipitates become smaller, denser and rather homogeneous with appropriate yttrium addition. Compared with the conventional low expansion superalloy, the misfit of the platelet phase with the matrix in the yttrium-containing low expansion superalloy decreases from 0.7% to 0.07%, which indicates very low stress at the interface.展开更多
Trans-2,2?,4,4?-tetramethyl-6,6?-dinitro azobenzene (C16H16N4O4, Mr = 328.32) was isolated from benzene extract of the leaves of Aconitum sungpanense Hand. Mazz. as a new compound, and characterized by spectral method...Trans-2,2?,4,4?-tetramethyl-6,6?-dinitro azobenzene (C16H16N4O4, Mr = 328.32) was isolated from benzene extract of the leaves of Aconitum sungpanense Hand. Mazz. as a new compound, and characterized by spectral methods and X-ray diffraction analysis. It crystallizes in monoclinic system, space group P21/c with a = 8.544(1), b = 13.997(2), c = 7.161(1) ? ?= 112.97(1), V = 788.4(2) ?, Z = 4, Dc = 1.383 g/cm3, F(000) = 344 and ?MoKa) = 0.102 mm-1. The final R = 0.0395 and wR = 0.1140 for 1913 independent reflections with Rint = 0.0109 and 1329 observed reflections with I > 2s(I). The molecule is composed of two phenyl rings through trans N=N.展开更多
Pyrite nickel disulfide and millerite nickel monosulfide have been successfully prepared by solvothermal method based on the reaction of Ni(NO3)2.6H2O and H2NC(S)NH2 in benzene and ethylenediamine (EDA). The final pr...Pyrite nickel disulfide and millerite nickel monosulfide have been successfully prepared by solvothermal method based on the reaction of Ni(NO3)2.6H2O and H2NC(S)NH2 in benzene and ethylenediamine (EDA). The final products were characterized by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM). The effects of the solvent, reaction temperature and time on the morphology and phase of the products have been discussed.展开更多
Au nanoparticles dispersed NiO composite films were prepared by a chemical solution method.The phase structure,microstructure,surface chemical state,and optical absorption properties of the films were characterized by...Au nanoparticles dispersed NiO composite films were prepared by a chemical solution method.The phase structure,microstructure,surface chemical state,and optical absorption properties of the films were characterized by X-ray diffraction,transmission electron microscopy,X-ray photoelectron spectroscopy,and Uv-vis spectrometer.The results indicate that Au particles with the average diameters of 35-42 nm are approximately spherical and disperse in the NiO matrix.The optical absorption peaks due to the surface plasmon resonance of Au particles shift to the shorter wavelength and intensify with the increase of Au content.The bandwidth narrows when the Au content increases from 8.4wt% to 45.2wt%,but widens by further increasing the Au content from 45.2wt% to 60.5wt%.The band gap Eg increases with the increase of Au contents from 8.4wt% to 45.2wt%,but decreases by further increasing the Au content.展开更多
The hydrogenation reaction characteristics and the properties of its hydrides for the magnetic regenerative material HoCu_2(CeCu_2-type) of a cryocooler were investigated. The XRD testing reveals that the hydrides of ...The hydrogenation reaction characteristics and the properties of its hydrides for the magnetic regenerative material HoCu_2(CeCu_2-type) of a cryocooler were investigated. The XRD testing reveals that the hydrides of HoCu_2 were a mixture of Cu, unknown hydride Ⅰ, and unknown hydride Ⅱ. Based on the PCT(pressure-concentration-temperature) curves under different reaction temperatures, the relationships among reaction temperature, equilibrium pressure, and maximum hydrogen absorption capacity were analyzed and discussed. The enthalpy change ΔH and entropy change ΔS as a result of the whole hydrogenation process were also calculated from the PCT curves. The magnetization and volumetric specific heat capacity of the hydride were also measured by SQUID magnetometer and PPMS, respectively.展开更多
文摘Based on the X-ray scattering intensity theory,the correction factors of the degree of crystallinity formulae of the multicomponent polymers have been clearly defined.The formula of degree of erystallinity of the multicomponent polymers was derived in terms of the WAXD theory ahd improved graphic multipeak resolution methods.The results calculated are compatible with the density measurement.
文摘The properties of synthetic graphite materials, widely used in advanced fields, are determined by their structure, which is formed in the process of high-temperature (~2500<span style="white-space:normal;"><span style="white-space:nowrap;">°</span></span><span style="white-space:normal;"></span>C) heat treatment. The fine structure of a graphitizing carbon material based on petroleum coke containing 1.3 wt% S at various stages of graphitization was studied by X-ray diffraction analysis. Some of the samples contained the addition of dispersed Fe<sub>2</sub>O<sub>3</sub>. It is shown that the heat-treated material in the range 1200<span style="white-space:normal;"><span style="white-space:nowrap;">°</span></span><span style="white-space:normal;"></span>C - 2600<span style="white-space:normal;"><span style="white-space:nowrap;">°</span></span><span style="white-space:normal;"></span>C is heterogeneous, its component composition is determined by the processing temperature and the presence of Fe<sub>2</sub>O<sub>3</sub> additive. The observed dependence of the component composition on the heat treatment temperature suggests that the process of graphitization of the carbon material, apparently, develops through a number of metastable states.
文摘Cold worked and annealed supersaturated Cu-2.65Ni-0.6Si and Cu-2.35Ni-0.6Si-0.6Cr alloys were studied. The microstructural parameters evolution, including crystallite size, root mean square strain and dislocation density was analyzed using Materials Analysis Using Diffraction software （MAUD）. The parameters for both alloys have typical values of cold deformed and subsequently annealed copper based alloy. A net change of the crystallite size, root mean square strain and dislocation density values of the alloys aged at 450 °C for 2.5-3 h seems corresponding to the recovery and recrystallization processes. Addition of Cr as quaternary element did not lead to any drastic changes of post deformation or ageing microstructural parameters and hence of recovery-recrystallization kinetics.
基金supported by the Major Science and Technology Program for Water Pollution Control and Treatment(2017ZX07202005).
文摘Phosphorus(P)is an essential and limited resource.Incineration sewage sludge ash(ISSA)contains a high amount of P,which can be recovered using chemical leaching methods.However,the recovery ratio depends on the speciation of P and the leaching conditions.In this study,hydrochloric acid was used as a leaching agent,and the effects of the hydrochloric acid concentration,leaching time,temperature,and liquid-solid ratio on the P leaching ratio were investigated.Furthermore,the co-leaching of macro-metals Ca,Al,Fe,and Mg was analyzed.The results showed that P leached rapidly within 30 min,where the leaching rate reached more than 80%and then gradually stabilized.The leaching concentrations of Ca and Mg had a significant correlation(correlation coefficient r^(2)>0.90),and both were leached completely.Al and P had similar leaching patterns,where the leaching rates increased initially and then decreased with time at 0.2 mol/L HCl.According to X-ray diffraction analysis and Rietveld refinement,the P in ISSA was mainly present in the forms of Mg_(3)Ca_(3)(PO_(4))_(4) and AlPO_(4).When leached using 0.2 mol/L HCl at 55℃ with a liquid-to-solid ratio of 20 L/kg,the AlPO_(4) and Fe_(3)(H_(2)O)_(3)(PO_(4))_(2) in ISSA dissolved initially and then precipitated on the surface of the solid phase,thereby impeding further P leaching.
基金supported by the Australian Research Council Linkage Project(No.LP200200717)co sponsored by Newmont Corporation(United States)and Vega Industries(India)+1 种基金the Powder Diffraction Beamline at the Australia’s Nuclear Science and Technology Organisation(No.PDR19870),Australiathe Centre for Microscopy and Microanalysis at the University of Queensland(No.1366),Australia。
文摘Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and quantifying these superstructures hinder the optimization of pyrrhotite depression in flotation processes.To address this critical issue,synchrotron X-ray powder diffraction(S-XRPD)with Rietveld refinement was employed to quantify the distribution of superstructures in the feed and flotation concentrates of a copper–gold ore.To elucidate the mechanisms influencing depression,density functional theory(DFT)calculations were conducted to explore the electronic structures and surface reactivity of the pyrrhotite superstructures toward the adsorption of water,oxygen and hydroxyl ions(OH-)as dominant species present in the flotation process.S-XRPD analysis revealed that flotation recovery rates of pyrrhotite followed the order of 4C<6C<5C.DFT calculations indicated that the Fe 3d and S 3p orbital band centers exhibited a similar trend relative to the Fermi level with 4C being the closest.The Fe3d band center suggested that the 4C structure possessed a more reactive surface toward the oxygen reduction reaction,promoting the formation of hydrophilic Fe-OH sites.The S 3p band center order also implied that xanthate on the non-magnetic 5C and 6C surfaces could oxidize to dixanthogen,increasing hydrophobicity and floatability,while 4C formed less hydrophobic metal-xanthate complexes.Adsorption energy and charge transfer analyses of water,hydroxyl ions and molecular oxygen further supported the high reactivity and hydrophilic nature of 4C pyrrhotite.The strong bonding with hydroxyl ions indicated enhanced surface passivation by hydrophilic Fe–OOH complexes,aligning with the experimentally observed flotation order(4C<6C<5C).These findings provide a compelling correlation between experimental flotation results and electronic structure calculations,delivering crucial insights for optimizing flotation processes and improving pyrrhotite depression.This breakthrough opens up new opportunities to enhance the efficiency of flotation processes in the mining industry.
基金the National Natural Science Foundation of China (Grant No.49872033) the special pre-research project of the Basic Scientific Program.the Ministry of Science and Technology of China (Grant No. 2001CCA02400).
文摘X-ray diffraction (XRD) peaks in a low-angle diffraction section of clayminerals, especially those of authigenic origin, have broadening and tailing features in shape.Using the five basic parameters, peak position, peak height, width, shape coefficient and asymmetry,to describe an XRD peak is more accurate, comprehensive and integrated than using only 3 of them,position, height and width. Following the concept of the five basic parameters of an XRD peak, theprogram Decoform proposed in this study provides more information in mineralogical analyses byfitting actual XRD profiles. In combination with the HW-IR plot, Decoform can he systematically andaccurately used in the comprehensive analyses of crystallinity, domain size, lattice strain andquantitative phase. It is also of value for the geological investigations of diagenesis,metamorphism, basin maturity, structural stress field and so on.
文摘Accuracy of coeffcient A_(isp) is related to the reference phase chosen during analysis. The cri- terion of choosing reference phase which may minimize the error of A_(isp) was deduced. The optimum results could be obtained by using the method of least squares if the number of sam- pies for analysis is more than the phase in samples. The procedure presented here is satisfacto- ryfor ordinary phase analysis.
文摘The density,nature of the dislocations and distribution of the domain sizes in cold-deformed Pb-Ca-Sn solid solution were determined by X-ray diffraction profile analysis.The dislocation densities are of the order of 1010 cm-2.The strain broadening of diffraction profiles was accounted for by dislocation contrast factor.The coherent domain size was determined by the recently developed PM2K software package.Assuming that the domain size distribution is log-normal,the distribution function（median μ and variance σ） was calculated from the size parameters determined from X-ray diffraction profile analysis.
基金supported by the Major Program of Ministry of Science and Technology of China(No:2015ZX09J15104-003002)
文摘Flupirtine maleate, a pharmaceutical compound for treating psychotic disease in clinics, has seven polymorphs. Form A, with better crystal stability and bioavailability, has been widely used as the pharmaceutical crystal form. Unfortunately, it is usually found in a polymorphic mixture with form B. In this study, pure crystal forms of A and B were prepared and characterized by X-ray powder diffraction （XRPD）, Fourier transform infrared spectroscopy （FT-IR） and thermal analysis. An XRPD-based method for the quantitative determination of the amount of the flupirtine maleate polymorphs form A and form B was also established through a systematic optimization of instrumental parameters. The results of the analytical methodology validation showed that the XPRD method had a broad quantitative range of 0- 100% （w/w）, good linear relationship, with R2= 0.999, excellent repeatability and precision and low limits of detection （LoD） of 0.15% （w/w） and quantification （LoQ） of 0.5% （w/w）. The results also showed that the single-peak method was not as good as the whole pattern in reducing the influence of the preferred orientation, but this can be compensated for by a systematic optimization of instrumental parameters and validating the analytical methodology to reduce errors and obtain a good, repeatable, sensitive, and accurate method. This XRPD method can be used to analyze mixtures of flupirtine maleate polymorphs （forms A and B） quantitatively and control the quality of the bulk drug.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11305040,11505036 and 11447203the Education Department of Guizhou Province Talent Fund under Grant No[2015]5508the Science and Technology Department of Guizhou Province Fund under Grant Nos[2015]2114 and [2014]7053
文摘We study the effects of running coupling and gluon number fluctuations in the latest diffractive deep inelastic scattering data. It is found that the description of the data is improved once the running coupling and gluon number fluctuations are included with x2/d.o.f. = 0.867, x2/d.o.f. = 0.923 and x2/d.o.f. = 0.878 for three different groups of experimental data. The values of diffusive coefficient subtracted from the fit are smaller than the ones obtained by considering only the gluon number fluctuations in our previous studies. The smaller values of the diffusive coefficient are in agreement with the theoretical predictions, where the gluon number fluctuations are suppressed by the running coupling which leads to smaller values of the diffusive coefficient.
文摘New high performance grouts with high volume stability and good fluidity were prepared with Portland cement and a multifunctional admixture (MFA). The theological characteristics and mechanical performance of the grouts were investigated. The addition of MFA effectively improves the pseudo-plasticity of the grout. The Ma cone flow time decreases obviously, and the bleeding rate tends to be zero. The deformation behaviors of fresh mixture and hardened grout are systematically studied. Mercury injection method (MIP), scanning electron microscopy (SEM) and X-ray diffractory analysis experiments are used to analyze the microstructure evolution of the grouts, which manifests that the co-action of the early bubble reaction and the latter ettringite crystallization ensure the volume stability throughout the whole hydration process and result in refined pore structure of the grout.
基金financially supported by the Project of the Science and Technology Creative Team of Universities in Jiangxi Province,China(No.00008713)the Open Foundation of Jiangxi Key Laboratory for Advanced Copper and Tungsten Materials(No.2013-KLP-04)
文摘Leaching is one of the major factors that alter the mechanical properties of cement-based composites.This study is aimed to investigate the effect of leaching on the properties of cement-based composites.Specimens with two water/cementitious ratios and two mineral admixtures were tested.An electrical potential was applied to accelerate the leaching process.Compressive strength test,scanning electronic microscopy,thermogravimetric analysis and X-ray diffraction analysis were conducted.Test results demonstrated that the calcium leaching reduced compressive strengths of concrete specimens,and such effect was prominent on the specimens without mineral admixtures.The leaching resistance increased with a decrease in water/cementitious ratio and an increase in amount of mineral admixtures.The mineral admixtures would reduce the amount of calcium hydroxide and refine the pore structure through pozzolanic reactions.A fair relationship was found between the calcium leaching and the compressive strength.
文摘Abstract： This study deals with the Fe65.5Cr4Mo4Ga4P12C5B5.5 ferromagnetic bulk amorphous alloy. XRD analysis showed an amorphous structure of the as-cast sample. The same method revealed that, after annealing at 973 K for v=10 min, the sample displayed a crystalline structure with crystalline phases formed. The crystallization process of the alloy was examined by DTA analysis. It was shown that crystallization took place in the temperature range between 810 K and 860 K with the exo-maximum peak temperature at 846 K with a heating rate of 20 K.min-1. The method also showed that, at temperatures ranging from 753 K to 810 K, the alloy exhibited the properties of supercooled liquids. A correlation between heat-induced structural changes and magnetic properties of the alloy was determined by thermomagnetic measurements. Maximum magnetization M=3.7 Am2.kg-1 of the alloy was reached after its annealing at 733 K for τ=10 min. Upon annealing, the alloy exhibited a relaxed amorphous structure. Annealing the alloy above the crystallization temperature led to a decrease in bulk magnetization. After annealing at 973 K for r=10 min, the bulk magnetization of the alloy was M＇=0.45 Am2.kg-1. Accordingly, after crystallization and formation of new compounds, the magnetization of the alloy was decreased by a factor of about 7.7. The strength of the magnetic field applied during the measurements was H=10 kA.m-1. The samples were tested for changes in the microstructure and hardness of both the amorphous phase and the resulting crystalline phase.
基金Chinese foundation of aeronautical science( N o.96 G2 10 0 3)
文摘The forms and structures of the phases in Fe-Ni-Co-Nb-Ti-Si low expansion superal-loys have been studied using analytical electron microscopy, high resolution electron microscopy, chemical phase analysis, X-ray diffraction, etc. The effects of yttrium on the microstructures and properties in the superalloys have also been investigated. The results reveal that trace yttrium mainly located in the platelet precipitates makes the crystal structure changed. The platelet precipitates become smaller, denser and rather homogeneous with appropriate yttrium addition. Compared with the conventional low expansion superalloy, the misfit of the platelet phase with the matrix in the yttrium-containing low expansion superalloy decreases from 0.7% to 0.07%, which indicates very low stress at the interface.
基金This work was supported by the Natural Science Foundation of Shaanxi Province (No. 01JK080 and 02JS40).
文摘Trans-2,2?,4,4?-tetramethyl-6,6?-dinitro azobenzene (C16H16N4O4, Mr = 328.32) was isolated from benzene extract of the leaves of Aconitum sungpanense Hand. Mazz. as a new compound, and characterized by spectral methods and X-ray diffraction analysis. It crystallizes in monoclinic system, space group P21/c with a = 8.544(1), b = 13.997(2), c = 7.161(1) ? ?= 112.97(1), V = 788.4(2) ?, Z = 4, Dc = 1.383 g/cm3, F(000) = 344 and ?MoKa) = 0.102 mm-1. The final R = 0.0395 and wR = 0.1140 for 1913 independent reflections with Rint = 0.0109 and 1329 observed reflections with I > 2s(I). The molecule is composed of two phenyl rings through trans N=N.
文摘Pyrite nickel disulfide and millerite nickel monosulfide have been successfully prepared by solvothermal method based on the reaction of Ni(NO3)2.6H2O and H2NC(S)NH2 in benzene and ethylenediamine (EDA). The final products were characterized by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM). The effects of the solvent, reaction temperature and time on the morphology and phase of the products have been discussed.
基金supported by the Major State Basic Research Development Program of China(No.2007CB613301)the National Natural Science Foundation of China(Nos.50842028 and 50972012)
文摘Au nanoparticles dispersed NiO composite films were prepared by a chemical solution method.The phase structure,microstructure,surface chemical state,and optical absorption properties of the films were characterized by X-ray diffraction,transmission electron microscopy,X-ray photoelectron spectroscopy,and Uv-vis spectrometer.The results indicate that Au particles with the average diameters of 35-42 nm are approximately spherical and disperse in the NiO matrix.The optical absorption peaks due to the surface plasmon resonance of Au particles shift to the shorter wavelength and intensify with the increase of Au content.The bandwidth narrows when the Au content increases from 8.4wt% to 45.2wt%,but widens by further increasing the Au content from 45.2wt% to 60.5wt%.The band gap Eg increases with the increase of Au contents from 8.4wt% to 45.2wt%,but decreases by further increasing the Au content.
基金financially supported by the High-Tech Research and Development Program of China(No.SS2013AA031305)the Key Technologies R&D Program of Tianjin(No.12ZCDGGX49100)
基金Project(51276154)supported by the National Natural Science Foundation of ChinaProject(2012010111014)supported by the University Doctoral Subject Special Foundation of China
文摘The hydrogenation reaction characteristics and the properties of its hydrides for the magnetic regenerative material HoCu_2(CeCu_2-type) of a cryocooler were investigated. The XRD testing reveals that the hydrides of HoCu_2 were a mixture of Cu, unknown hydride Ⅰ, and unknown hydride Ⅱ. Based on the PCT(pressure-concentration-temperature) curves under different reaction temperatures, the relationships among reaction temperature, equilibrium pressure, and maximum hydrogen absorption capacity were analyzed and discussed. The enthalpy change ΔH and entropy change ΔS as a result of the whole hydrogenation process were also calculated from the PCT curves. The magnetization and volumetric specific heat capacity of the hydride were also measured by SQUID magnetometer and PPMS, respectively.
