In order to study the influence of crystal structure change due to implantation dose on the hardness and wear performance of 300M high-strength steel,samples were surface modified by Cr implantation with dosages of 5....In order to study the influence of crystal structure change due to implantation dose on the hardness and wear performance of 300M high-strength steel,samples were surface modified by Cr implantation with dosages of 5.0 × 10^16,1.5 × 10^17 and 3.0 × 10^17 ions/cm^2.X-ray diffraction method,which was already applied in studies on the microstructure of deformed and heat-treated materials,was used to study the crystal structure of the implanted steel,and the results were corrected with the hardness and wear performance.The solid solution strengthening effect and microstructure vary with increase in implantation dose.Owing to strong solid solution hardening of Cr,small average crystallite size and high dislocation density,the hardness and wear resistance of implanted steel with dose of 5.0 × 10^16 ions/cm^2 were found to be the highest compared with other samples.Moreover,although the crystal lite size of the implanted sample with dose of 3 × 10^17 ions/cm^2 was similar to that of substrate and the dislocation density was lower than that of the substrate,its higher hardness and lower specific wear rate were due to the solid solution hardening and perhaps Cr clusters reinforcement.展开更多
X-ray powder diffraction data and crystal structure of NiSbY compound were studied by X-ray powderdiffraction. The compound belongs to the space group F43 m with MgAgAs structure type, and the parameters Z=4, a=0.6307...X-ray powder diffraction data and crystal structure of NiSbY compound were studied by X-ray powderdiffraction. The compound belongs to the space group F43 m with MgAgAs structure type, and the parameters Z=4, a=0.63075(2) nm.展开更多
The compound PrNiSn was studied by X ray powder diffraction technique. The crystal structure and the X ray diffraction data for this compound at room temperature were reported. The compound PrNiSn is orthorhombic wi...The compound PrNiSn was studied by X ray powder diffraction technique. The crystal structure and the X ray diffraction data for this compound at room temperature were reported. The compound PrNiSn is orthorhombic with lattice parameters a =0.74569(3) nm, b =0.76851(5) nm, c =0.45676(8) nm, V =0.26176 nm 3, Z =4 and D x=8.076 g·cm -3 , space group Pna2 1(33). The figure of merit F N for the compound is F 30 =54 (0.0093, 60).展开更多
The dependence of properties on the structure and morphology of semicrystalline polymers offers an effective way to tailor the properties of these materials through structure control. To this end, establishing the str...The dependence of properties on the structure and morphology of semicrystalline polymers offers an effective way to tailor the properties of these materials through structure control. To this end, establishing the structure and property relationship is of great importance. For a right characterization of the crystal structure, several techniques can be used. Among these techniques, electron diffraction has its advantage for determining the crystal structure related to specific formation condition since it can combine with bright and dark fields observation of the sample. This feature article describes the application of electron diffraction in determining the crystal structure of semicrystalline polymers with elaborately selected examples. We focus on how the electron diffraction can be used to disclose the crystal structure, mutual orientation of different crystals, as well as the disorders included in the polymer crystals.展开更多
Detailed time-and-space-averaged structure of MgSO4 in the concentrated aqueous solutions was investigated via X-ray diffraction with an X’pert Pro θ-θ diffractometer at 298 K, yielding structural function and radi...Detailed time-and-space-averaged structure of MgSO4 in the concentrated aqueous solutions was investigated via X-ray diffraction with an X’pert Pro θ-θ diffractometer at 298 K, yielding structural function and radial distribution function（RDF）. The developed KURVLR program was employed for the theoretical investigation in consideration of the ionic hydration and ion association. Multi-peaks Gaussian fitting method was applied to deconvolving the overlapping bands of Differential radial distribution function（DRDF）. The calculation of the geometric model shows that octahedrally six-coordinated Mg（H2O）62＋, with an Mg2＋…OW bond length of 0.201 nm dominates in the solutions. There exists contact ion-pair（CIP） in the more concentrated solution（1：18, H2O/salt molar ratio） with a coordination number of 0.8 and a characteristic Mg…S distance of 0.340 nm. The result indicates the hydrated SO42– ion happens in the solution. The S…OW bond distance was determined to be 0.382 nm with a coordination number of 13. The fraction of CIP increases significantly with the increasing concentration. The symmetry of the hydration structure of sulfate ion is lowered by forming complex with magnesium ion.展开更多
The chemical structure of heavy oil fractions obtained by liquid-solid adsorption chromatography was character-ized by 1 H nuclear magnetic resonance and X-ray diffraction.The molecular weight and molecular formula of...The chemical structure of heavy oil fractions obtained by liquid-solid adsorption chromatography was character-ized by 1 H nuclear magnetic resonance and X-ray diffraction.The molecular weight and molecular formula of asphaltene molecules were estimated by combining 1 H nuclear magnetic resonance and X-ray diffraction analyses,and were also ob-tained from vapor pressure osmometry and elemental analysis.Heteroatoms,such as S,N,and O atoms,were considered in the construction of average molecular structure of heavy oils.Two important structural parameters were proposed,including the number of alkyl chain substituents to aromatic rings and the number of total rings with heteroatoms.Ultimately,the av-erage molecular structures of polycyclic aromatics,heavy resins and asphaltene molecules were constructed.The number of α-,β-,γ-,and aromatic hydrogen atoms of the constructed average molecular structures fits well with the number of hydro-gen atoms derived from the experimental spectral data.展开更多
This paper investigates the major structural parameters, such as crystal quality and strain state of （001）-oriented GaN thin films grown on sapphire substrates by metalorganic chemical vapour deposition, using an in...This paper investigates the major structural parameters, such as crystal quality and strain state of （001）-oriented GaN thin films grown on sapphire substrates by metalorganic chemical vapour deposition, using an in-plane grazing incidence x-ray diffraction technique. The results are analysed and compared with a complementary out-of-plane x- ray diffraction technique. The twist of the GaN mosaic structure is determined through the direct grazing incidence t of （100） reflection which agrees well with the result obtained by extrapolation method. The method for directly determining the in-plane lattice parameters of the GaN layers is also presented. Combined with the biaxial strain model, it derives the lattice parameters corresponding to fully relaxed GaN films. The GaN epilayers show an increasing residual compressive stress with increasing layer thickness when the two dimensional growth stage is established, reaching to a maximum level of-0.89 GPa.展开更多
The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. Th...The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400A, V=1017.47A3, F30=93(0.0075,43), M20=49, Z=4. Space group is Pnma. The structure agreement factors are: Rp=0.066,Rwp=0.090, RF=0.041, RB=0.042.展开更多
The crystal structure of the deuterium(hydrogen) L-arginine phosphate monohydrate D(H)LAP has been determined by neutron diffraction technique.[( D2N)2CND (CH2)3CH (ND3)CO2]+·[D2PO4]1-·D2O,Mr=302.3,monoclini...The crystal structure of the deuterium(hydrogen) L-arginine phosphate monohydrate D(H)LAP has been determined by neutron diffraction technique.[( D2N)2CND (CH2)3CH (ND3)CO2]+·[D2PO4]1-·D2O,Mr=302.3,monoclinic space group P21,Z=2,α=10.843(3),b=7.913(2),c=7.321(2),β=97.99(3)°,V=622.0(3),Dc=1.602 g/cm3.All atoms were located by block diagonal matrix least-squares technique.A final Rf value of 0.048 was obtained for 1040 observed independent reflections.The crystal structure consists of alternate layers of phosphate groups and arginine molecules stacked along the axis a and held together by hydrogen bonds.展开更多
Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed t...Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones.展开更多
A detailed investigation of anisotropy of neutron diffraction intensity enhancement observed in α-LiIO-3 single crystal under a DC field was carried out on a Four-Circle Neutron Diffractometer installed at the BR<...A detailed investigation of anisotropy of neutron diffraction intensity enhancement observed in α-LiIO-3 single crystal under a DC field was carried out on a Four-Circle Neutron Diffractometer installed at the BR<sub>2</sub> reactor in Belgium and CIAE reactor.It was found that the intensity increase must be ascribed to small displacements of oxygen and iodine atoms rather than the explanation which is only based on changes in the defect of the crystal structure,since the movement of lithium atom to interstitial sites or holes in the crystal may cause displacement of the other atoms.展开更多
The liquid structure of pure iron at 1540, 1560 and 1580 deg C was studied byX-ray diffraction. The results show that near the melting point there is a medium-range orderstructure that fades away with the increasing t...The liquid structure of pure iron at 1540, 1560 and 1580 deg C was studied byX-ray diffraction. The results show that near the melting point there is a medium-range orderstructure that fades away with the increasing temperature. The average nearest distance of atoms isalmost independent of the melts temperature, but the average coordination number, the atom clustersize and the atom number in an atom cluster all decrease with the increasing temperature of themelt. Near the melting point there are a lot of atom clusters in the pure iron melt. The atomcluster of pure iron has the body-centered cubic lattices, which are kept from the solid state. Andthe body-centered cubic lattices connect into network by occupying a same edge. The atoms in thesurrounding of the atom clusters are arranged disorderly.展开更多
The polycrystalline spinel oxides NiX?Co1-X?Fe2O4 with composition x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0 were prepared by conventional solid state ceramic sintering technique in air at 1300°C. X-ray diffraction exp...The polycrystalline spinel oxides NiX?Co1-X?Fe2O4 with composition x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0 were prepared by conventional solid state ceramic sintering technique in air at 1300°C. X-ray diffraction experiments were carried out on all the samples at room temperature in order to characterize the materials. X-ray diffraction patterns showed sharp peaks indicating the formation of single phase cubic spinel structure. The neutron diffraction experiments were performed on all samples at room temperature, with an incident monochromatic neutron beam of wavelength λ = 1.5656 Å. The experimental neutron diffraction data were analyzed using the computer program FullProf in the Reitveld method. Reitveld refinement of the neutron diffraction data reveals that the samples possess cubic symmetry corresponding to the space group F d-3m. Cation distribution between the two sublattices of the spinel structure has been found from the analysis of the neutron diffraction data. Lattice parameters, oxygen position parameters, and overall temperature factors have also been determined from the analysis of neutron diffraction data. The lattice parameter decreases and oxygen position parameter increases with increasing Ni content in the system. Sublattices and net magnetic moments have been determined from the refinement of neutron diffraction data. The magnetic structure at room temperature was found to be ferrimagnetic for all the samples.展开更多
The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The...The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The material is synthesized using a solid-state synthesis method at a temperature of 1200˚C. Neutron diffraction data is subjected to Rietveld refinement, and a comparative analysis with X-ray diffraction (XRD) data is performed to unravel the structural details of the material. The findings reveal that the synthesized material exhibits a cubic crystal structure with a Pm-3m phase. The neutron diffraction results offer valuable insights into the arrangement of atoms within the lattice, contributing to a comprehensive understanding of the material’s structural properties. This research enhances our knowledge of CaSrFe0.75</sub>Co0.75</sub>Mn0.5</sub>O6−δ</sub>, with potential implications for its applications in various technological and scientific domains.展开更多
The synthesis and X-ray crystal structure of a new molecular clip 2 was reported. It （C24H24N4O2, Mr = 400.47） crystallizes in the space group C2/c with a = 15.587（2）, b = 8.5805（12）, c = 15.259（2） A, β = 102...The synthesis and X-ray crystal structure of a new molecular clip 2 was reported. It （C24H24N4O2, Mr = 400.47） crystallizes in the space group C2/c with a = 15.587（2）, b = 8.5805（12）, c = 15.259（2） A, β = 102.448（3）°, V= 1992.9 （5）A63, Z = 4, Dc = 1.335 g/cm63,μ = 0.087 mm^-1 and F（000） = 848. It remains monomeric in the crystal and a tape-like structure is formed in the crystal structure of molecular clip. The most unusual structural feature of 2 is the boat conformation of its cyclohexyl ring imposed by the ring fusion at C（9）-C（9a）.展开更多
This research reports the processing of magnesium matrix composites reinforced with silicon carbide(SiC)and aluminium oxide(Al_(2)O_(3))using powder metallurgy technique through high energy milling.Samples of Mg-SiC a...This research reports the processing of magnesium matrix composites reinforced with silicon carbide(SiC)and aluminium oxide(Al_(2)O_(3))using powder metallurgy technique through high energy milling.Samples of Mg-SiC and Mg-Al_(2)O_(3)composites subjected to high energy ball milling for different vol%of secondary particles 20,30 and 40%of SiC and Al_(2)O_(3)are studied by X-Ray diffraction technique.The rietveld method as implemented in the Fullprof program is applied in order to determine the quantities of the resulting crystalline phases and amorphous phases at each stage of the mechanical treatment.Microstructural examination is carried out using Scanning Electron Microscope(SEM).In addition,crystal structural analysis using appropriate size and strain models is performed in order to handle the distinctive anistrophy that is observed in convinced crystallographic directions for the magnesium composite.The results are furnished in terms of crystalline domains size enlargement of the magnesium composites phases upon prolonged milling duration and discussed in the light of up to date views and theories on crystal growth of nanocrystaline materials.The hardness of the composite samples is calculated by Vickers’s Hardness tester.Further,dry sling wear test and corrosion test are performed for the fabricated composites.Composite with 30%secondary particles incorporated magnesium composites exhibits better wear and corrosion resistance than the other composites.展开更多
Based on a femtosecond laser plasma-induced hard x-ray source with a high laser pulse energy(>100 mJ)at 10 Hz repetition rate,we present a time-resolved x-ray diffraction system on an ultrafast time scale.The laser...Based on a femtosecond laser plasma-induced hard x-ray source with a high laser pulse energy(>100 mJ)at 10 Hz repetition rate,we present a time-resolved x-ray diffraction system on an ultrafast time scale.The laser intensity is at relativistic regime(2×10^(19)W/cm^(2)),which is essential for effectively generating K_(α)source in high-Z metal material.The produced copper K_(α)radiation yield reaches to 2.5×10^(8)photons/sr/shot.The multilayer mirrors are optimized for monochromatizating and two-dimensional beam shaping of Kαemission.Our experiment exhibits its ability of monitoring the transient structural changes in a thin film SrCoO_(2.5)crystal.It is demonstrated that this facility is a powerful tool to perform dynamic studies on samples and adaptable to the specific needs for different particular applications with high flexibility.展开更多
Polyamide I1 （PAll） and its nanocomposites with different organoclay loadings were prepared by melt-compounding and subsequent pelletizing. The crystal phase transitions of PAl 1 and its clay nanocomposites were inv...Polyamide I1 （PAll） and its nanocomposites with different organoclay loadings were prepared by melt-compounding and subsequent pelletizing. The crystal phase transitions of PAl 1 and its clay nanocomposites were investigated by variable-temperature X-ray diffraction. It was found that the Brill transition of the nanocomposite was 20 K higher than that of the neat PAl 1 for both heating and cooling processes. The PAl 1 d-spacings of the nanocomposites were observed to be smaller than those of the neat PAl 1 for melt crystallization. The constraints imposed by the addition of layered clay, restricting the thermal expansion of the polymer chains, are probably responsible for such a reduction of the d-spacing.展开更多
A novel crystal characterization instrument has been built up in which a combination of X-ray multiple diffraction and X-ray topography is applied to enabling the cross-correlation between micro-crystallographic symme...A novel crystal characterization instrument has been built up in which a combination of X-ray multiple diffraction and X-ray topography is applied to enabling the cross-correlation between micro-crystallographic symmetry and its spatial dependence in relation to lattice defects. This facility is used to examine, in a self-consistent manner, growth sector-dependant changes to both the crystallographic structure and the lattice defects associated with the action of habit-modifying additives in a number of representative crystal growth systems. In addition, the new instrument can be used to probe micro-crystallographic aspects(such as distortion to crystal symmetry) and relate these in a spatially resolved manner to the crystal defect structure in crystals doped with known habit modifiers.展开更多
基金This project was supported by the Priority Academic Program Development of Jiangsu Higher Education Institutions,Chinathe Jiangsu Province Graduate Cultivation Innovative Project(Grant No.KYLX16_0347)+4 种基金Natural Science Foundation for Excellent Young Scientists of Jiangsu Province,China(Grant No.BK20180068)China Postdoctoral Science Foundation funded project,China(Grant No.2018M630555)the Fundamental Research Funds for the Central Universities,China(Grant No.NS2018039)the China Scholarship CouncilChina(Grant No.201706830071,awarded to Xiao-hu Chen for 1 year of study at the Department of Mechanical and Aerospace Engineering,Carleton University).The raw/processed data required to reproduce these findings cannot be shared at this time due to contractual issues.
文摘In order to study the influence of crystal structure change due to implantation dose on the hardness and wear performance of 300M high-strength steel,samples were surface modified by Cr implantation with dosages of 5.0 × 10^16,1.5 × 10^17 and 3.0 × 10^17 ions/cm^2.X-ray diffraction method,which was already applied in studies on the microstructure of deformed and heat-treated materials,was used to study the crystal structure of the implanted steel,and the results were corrected with the hardness and wear performance.The solid solution strengthening effect and microstructure vary with increase in implantation dose.Owing to strong solid solution hardening of Cr,small average crystallite size and high dislocation density,the hardness and wear resistance of implanted steel with dose of 5.0 × 10^16 ions/cm^2 were found to be the highest compared with other samples.Moreover,although the crystal lite size of the implanted sample with dose of 3 × 10^17 ions/cm^2 was similar to that of substrate and the dislocation density was lower than that of the substrate,its higher hardness and lower specific wear rate were due to the solid solution hardening and perhaps Cr clusters reinforcement.
文摘X-ray powder diffraction data and crystal structure of NiSbY compound were studied by X-ray powderdiffraction. The compound belongs to the space group F43 m with MgAgAs structure type, and the parameters Z=4, a=0.63075(2) nm.
文摘The compound PrNiSn was studied by X ray powder diffraction technique. The crystal structure and the X ray diffraction data for this compound at room temperature were reported. The compound PrNiSn is orthorhombic with lattice parameters a =0.74569(3) nm, b =0.76851(5) nm, c =0.45676(8) nm, V =0.26176 nm 3, Z =4 and D x=8.076 g·cm -3 , space group Pna2 1(33). The figure of merit F N for the compound is F 30 =54 (0.0093, 60).
基金supported by the National Natural Science Foundation of China (Nos. 50833006, 21274009,51221002 and 50973008)
文摘The dependence of properties on the structure and morphology of semicrystalline polymers offers an effective way to tailor the properties of these materials through structure control. To this end, establishing the structure and property relationship is of great importance. For a right characterization of the crystal structure, several techniques can be used. Among these techniques, electron diffraction has its advantage for determining the crystal structure related to specific formation condition since it can combine with bright and dark fields observation of the sample. This feature article describes the application of electron diffraction in determining the crystal structure of semicrystalline polymers with elaborately selected examples. We focus on how the electron diffraction can be used to disclose the crystal structure, mutual orientation of different crystals, as well as the disorders included in the polymer crystals.
基金Supported by the Key Program of the National Natural Science Foundation of China(Nos.20836009 and 20873172)
文摘Detailed time-and-space-averaged structure of MgSO4 in the concentrated aqueous solutions was investigated via X-ray diffraction with an X’pert Pro θ-θ diffractometer at 298 K, yielding structural function and radial distribution function（RDF）. The developed KURVLR program was employed for the theoretical investigation in consideration of the ionic hydration and ion association. Multi-peaks Gaussian fitting method was applied to deconvolving the overlapping bands of Differential radial distribution function（DRDF）. The calculation of the geometric model shows that octahedrally six-coordinated Mg（H2O）62＋, with an Mg2＋…OW bond length of 0.201 nm dominates in the solutions. There exists contact ion-pair（CIP） in the more concentrated solution（1：18, H2O/salt molar ratio） with a coordination number of 0.8 and a characteristic Mg…S distance of 0.340 nm. The result indicates the hydrated SO42– ion happens in the solution. The S…OW bond distance was determined to be 0.382 nm with a coordination number of 13. The fraction of CIP increases significantly with the increasing concentration. The symmetry of the hydration structure of sulfate ion is lowered by forming complex with magnesium ion.
基金the funding of the National Basic Research Program of China (Grant No.2006CB202505)
文摘The chemical structure of heavy oil fractions obtained by liquid-solid adsorption chromatography was character-ized by 1 H nuclear magnetic resonance and X-ray diffraction.The molecular weight and molecular formula of asphaltene molecules were estimated by combining 1 H nuclear magnetic resonance and X-ray diffraction analyses,and were also ob-tained from vapor pressure osmometry and elemental analysis.Heteroatoms,such as S,N,and O atoms,were considered in the construction of average molecular structure of heavy oils.Two important structural parameters were proposed,including the number of alkyl chain substituents to aromatic rings and the number of total rings with heteroatoms.Ultimately,the av-erage molecular structures of polycyclic aromatics,heavy resins and asphaltene molecules were constructed.The number of α-,β-,γ-,and aromatic hydrogen atoms of the constructed average molecular structures fits well with the number of hydro-gen atoms derived from the experimental spectral data.
基金supported by the National Natural Science Foundation of China (Grant Nos. 60506001,60776047,60976045 and 60836003)the National Basic Research Programme of China (Grant No. 2007CB936700)the National Science Foundation for Distinguished Young Scholars,China (Grant No. 60925017)
文摘This paper investigates the major structural parameters, such as crystal quality and strain state of （001）-oriented GaN thin films grown on sapphire substrates by metalorganic chemical vapour deposition, using an in-plane grazing incidence x-ray diffraction technique. The results are analysed and compared with a complementary out-of-plane x- ray diffraction technique. The twist of the GaN mosaic structure is determined through the direct grazing incidence t of （100） reflection which agrees well with the result obtained by extrapolation method. The method for directly determining the in-plane lattice parameters of the GaN layers is also presented. Combined with the biaxial strain model, it derives the lattice parameters corresponding to fully relaxed GaN films. The GaN epilayers show an increasing residual compressive stress with increasing layer thickness when the two dimensional growth stage is established, reaching to a maximum level of-0.89 GPa.
文摘The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400A, V=1017.47A3, F30=93(0.0075,43), M20=49, Z=4. Space group is Pnma. The structure agreement factors are: Rp=0.066,Rwp=0.090, RF=0.041, RB=0.042.
文摘The crystal structure of the deuterium(hydrogen) L-arginine phosphate monohydrate D(H)LAP has been determined by neutron diffraction technique.[( D2N)2CND (CH2)3CH (ND3)CO2]+·[D2PO4]1-·D2O,Mr=302.3,monoclinic space group P21,Z=2,α=10.843(3),b=7.913(2),c=7.321(2),β=97.99(3)°,V=622.0(3),Dc=1.602 g/cm3.All atoms were located by block diagonal matrix least-squares technique.A final Rf value of 0.048 was obtained for 1040 observed independent reflections.The crystal structure consists of alternate layers of phosphate groups and arginine molecules stacked along the axis a and held together by hydrogen bonds.
文摘Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones.
文摘A detailed investigation of anisotropy of neutron diffraction intensity enhancement observed in α-LiIO-3 single crystal under a DC field was carried out on a Four-Circle Neutron Diffractometer installed at the BR<sub>2</sub> reactor in Belgium and CIAE reactor.It was found that the intensity increase must be ascribed to small displacements of oxygen and iodine atoms rather than the explanation which is only based on changes in the defect of the crystal structure,since the movement of lithium atom to interstitial sites or holes in the crystal may cause displacement of the other atoms.
基金This work was financially supported by the National Natural Science Foundation of China (No.59974003)"973" Research Foundation of the Science and Technology Ministry of China (No. G199806150402)
文摘The liquid structure of pure iron at 1540, 1560 and 1580 deg C was studied byX-ray diffraction. The results show that near the melting point there is a medium-range orderstructure that fades away with the increasing temperature. The average nearest distance of atoms isalmost independent of the melts temperature, but the average coordination number, the atom clustersize and the atom number in an atom cluster all decrease with the increasing temperature of themelt. Near the melting point there are a lot of atom clusters in the pure iron melt. The atomcluster of pure iron has the body-centered cubic lattices, which are kept from the solid state. Andthe body-centered cubic lattices connect into network by occupying a same edge. The atoms in thesurrounding of the atom clusters are arranged disorderly.
文摘The polycrystalline spinel oxides NiX?Co1-X?Fe2O4 with composition x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0 were prepared by conventional solid state ceramic sintering technique in air at 1300°C. X-ray diffraction experiments were carried out on all the samples at room temperature in order to characterize the materials. X-ray diffraction patterns showed sharp peaks indicating the formation of single phase cubic spinel structure. The neutron diffraction experiments were performed on all samples at room temperature, with an incident monochromatic neutron beam of wavelength λ = 1.5656 Å. The experimental neutron diffraction data were analyzed using the computer program FullProf in the Reitveld method. Reitveld refinement of the neutron diffraction data reveals that the samples possess cubic symmetry corresponding to the space group F d-3m. Cation distribution between the two sublattices of the spinel structure has been found from the analysis of the neutron diffraction data. Lattice parameters, oxygen position parameters, and overall temperature factors have also been determined from the analysis of neutron diffraction data. The lattice parameter decreases and oxygen position parameter increases with increasing Ni content in the system. Sublattices and net magnetic moments have been determined from the refinement of neutron diffraction data. The magnetic structure at room temperature was found to be ferrimagnetic for all the samples.
文摘The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The material is synthesized using a solid-state synthesis method at a temperature of 1200˚C. Neutron diffraction data is subjected to Rietveld refinement, and a comparative analysis with X-ray diffraction (XRD) data is performed to unravel the structural details of the material. The findings reveal that the synthesized material exhibits a cubic crystal structure with a Pm-3m phase. The neutron diffraction results offer valuable insights into the arrangement of atoms within the lattice, contributing to a comprehensive understanding of the material’s structural properties. This research enhances our knowledge of CaSrFe0.75</sub>Co0.75</sub>Mn0.5</sub>O6−δ</sub>, with potential implications for its applications in various technological and scientific domains.
基金the National Natural Science Foundation of China (20672042)
文摘The synthesis and X-ray crystal structure of a new molecular clip 2 was reported. It （C24H24N4O2, Mr = 400.47） crystallizes in the space group C2/c with a = 15.587（2）, b = 8.5805（12）, c = 15.259（2） A, β = 102.448（3）°, V= 1992.9 （5）A63, Z = 4, Dc = 1.335 g/cm63,μ = 0.087 mm^-1 and F（000） = 848. It remains monomeric in the crystal and a tape-like structure is formed in the crystal structure of molecular clip. The most unusual structural feature of 2 is the boat conformation of its cyclohexyl ring imposed by the ring fusion at C（9）-C（9a）.
文摘This research reports the processing of magnesium matrix composites reinforced with silicon carbide(SiC)and aluminium oxide(Al_(2)O_(3))using powder metallurgy technique through high energy milling.Samples of Mg-SiC and Mg-Al_(2)O_(3)composites subjected to high energy ball milling for different vol%of secondary particles 20,30 and 40%of SiC and Al_(2)O_(3)are studied by X-Ray diffraction technique.The rietveld method as implemented in the Fullprof program is applied in order to determine the quantities of the resulting crystalline phases and amorphous phases at each stage of the mechanical treatment.Microstructural examination is carried out using Scanning Electron Microscope(SEM).In addition,crystal structural analysis using appropriate size and strain models is performed in order to handle the distinctive anistrophy that is observed in convinced crystallographic directions for the magnesium composite.The results are furnished in terms of crystalline domains size enlargement of the magnesium composites phases upon prolonged milling duration and discussed in the light of up to date views and theories on crystal growth of nanocrystaline materials.The hardness of the composite samples is calculated by Vickers’s Hardness tester.Further,dry sling wear test and corrosion test are performed for the fabricated composites.Composite with 30%secondary particles incorporated magnesium composites exhibits better wear and corrosion resistance than the other composites.
基金Project supported by the National Key R&D Program of China(Grant No.2017YFA0403301)Science Challenge Project(Grant No.TZ2018005)+1 种基金the National Natural Science Foundation of China(Grant Nos.11991073,11721404,11805266,11905289,and 61975229)Key Program of Chinese Academy of Sciences(Grant Nos.XDA25030400 and XDB17030500).
文摘Based on a femtosecond laser plasma-induced hard x-ray source with a high laser pulse energy(>100 mJ)at 10 Hz repetition rate,we present a time-resolved x-ray diffraction system on an ultrafast time scale.The laser intensity is at relativistic regime(2×10^(19)W/cm^(2)),which is essential for effectively generating K_(α)source in high-Z metal material.The produced copper K_(α)radiation yield reaches to 2.5×10^(8)photons/sr/shot.The multilayer mirrors are optimized for monochromatizating and two-dimensional beam shaping of Kαemission.Our experiment exhibits its ability of monitoring the transient structural changes in a thin film SrCoO_(2.5)crystal.It is demonstrated that this facility is a powerful tool to perform dynamic studies on samples and adaptable to the specific needs for different particular applications with high flexibility.
基金financially supported by the National Natural Science Foundation of China(No.51125011)Guangxi Small Highland Innovation Team of Talents in Colleges and UniversitiesGuangxi Funds for Specially-appointed Expert
文摘Polyamide I1 （PAll） and its nanocomposites with different organoclay loadings were prepared by melt-compounding and subsequent pelletizing. The crystal phase transitions of PAl 1 and its clay nanocomposites were investigated by variable-temperature X-ray diffraction. It was found that the Brill transition of the nanocomposite was 20 K higher than that of the neat PAl 1 for both heating and cooling processes. The PAl 1 d-spacings of the nanocomposites were observed to be smaller than those of the neat PAl 1 for melt crystallization. The constraints imposed by the addition of layered clay, restricting the thermal expansion of the polymer chains, are probably responsible for such a reduction of the d-spacing.
基金Supported by EPSRC,the UK Research Council(No. GRIR 6 5 787)
文摘A novel crystal characterization instrument has been built up in which a combination of X-ray multiple diffraction and X-ray topography is applied to enabling the cross-correlation between micro-crystallographic symmetry and its spatial dependence in relation to lattice defects. This facility is used to examine, in a self-consistent manner, growth sector-dependant changes to both the crystallographic structure and the lattice defects associated with the action of habit-modifying additives in a number of representative crystal growth systems. In addition, the new instrument can be used to probe micro-crystallographic aspects(such as distortion to crystal symmetry) and relate these in a spatially resolved manner to the crystal defect structure in crystals doped with known habit modifiers.
