X-ray free-electron lasers(XFELs)can generate bright X-ray pulses with short durations and narrow bandwidths,leading to extensive applica-tions in many disciplines such as biology,materials science,and ultrafast scien...X-ray free-electron lasers(XFELs)can generate bright X-ray pulses with short durations and narrow bandwidths,leading to extensive applica-tions in many disciplines such as biology,materials science,and ultrafast science.Recently,there has been a growing demand for X-ray pulses with high photon energy,especially from developments in“diffraction-before-destruction”applications and in dynamic mesoscale materials science.Here,we propose utilizing the electron beams at XFELs to drive a meter-scale two-bunch plasma wakefield accelerator and double the energy of the accelerated beam in a compact and inexpensive way.Particle-in-cell simulations are performed to study the beam quality degradation under different beam loading scenarios and nonideal issues,and the results show that more than half of the accelerated beam can meet the requirements of XFELs.After its transport to the undulator,the accelerated beam can improve the photon energy to 22 keV by a factor of around four while maintaining the peak power,thus offering a promising pathway toward high-photon-energy XFELs.展开更多
Awell-anticipated wide-field X-ray focusing imager,the Einstein Probe(EP,also named“Tianguan”in Chinese)has caught the eye of astronomers since its launch in January 2024.Initiated and sponsored by the Chinese Acade...Awell-anticipated wide-field X-ray focusing imager,the Einstein Probe(EP,also named“Tianguan”in Chinese)has caught the eye of astronomers since its launch in January 2024.Initiated and sponsored by the Chinese Academy of Sciences(CAS),and developed in cooperation with the European Space Agency(ESA).展开更多
The first experiments on laser-driven cylindrical gold foam hohlraums have been performed at the 100 kJ SG-Ⅲ laser facility.Measurements of the expanding plasma emission show that there is less expanding plasma fill ...The first experiments on laser-driven cylindrical gold foam hohlraums have been performed at the 100 kJ SG-Ⅲ laser facility.Measurements of the expanding plasma emission show that there is less expanding plasma fill in foam hohlraums with a wall density of 0.8 g/cm^(3) than in solid gold hohlraums.The radiation temperatures at different angles confirm these results.Simulation results show that the expanding plasma density in the foam hohlraums is lower than in the solid hohlraums,resulting in less expanding plasma emission and higher radiation temperature.Thus,foam gold hohlraums have advantages in reducing wall plasma filling and improving X-ray transmission,which has potential applications in achieving a higher fusion yield.展开更多
High-pressure and high-temperature(HPHT)experiments in large-volume presses(LVPs)benefit from reliable,available,and affordable heaters to achieve stable and homogeneous heating and,in some circumstances,X-ray transpa...High-pressure and high-temperature(HPHT)experiments in large-volume presses(LVPs)benefit from reliable,available,and affordable heaters to achieve stable and homogeneous heating and,in some circumstances,X-ray transparency for monitoring of properties of an in situ experiment using X-ray diffraction and contrast imaging techniques.We have developed heaters meeting the above requirements,and we screen the ternary system TiB2–SiC–hexagonal(h)BN(denoted as TSB)to enable manufacture of X-ray transparent heaters for HPHT runs.Heaters fabricated using optimized TSB-631(60%TiB2–30%SiC–10%hBN by weight)have been tested in modified truncated assemblies,showing excellent performance up to 22 GPa and 2395 K in HPHT runs.TSB-631 has good ceramic machinability,outstanding reproducibility,high stability,and negligible temperature gradient for runs at 3–7 GPa with cell assemblies with truncated edge lengths of 8–12 mm.The fabricated heaters not only show excellent performance in HPHT runs,but also demonstrate high X-ray transparency over a wide X-ray wavelength region,indicating potential applications for in situ X-ray diffraction/imaging under HPHT conditions in LVPs and other high-pressure apparatus.展开更多
We have designed,assembled,and tested a 4-MA,60-ns fast linear transformer driver(LTD),which is the first operating generator featuring multiple LTD modules connected in parallel.The LTD-based accelerator comprises si...We have designed,assembled,and tested a 4-MA,60-ns fast linear transformer driver(LTD),which is the first operating generator featuring multiple LTD modules connected in parallel.The LTD-based accelerator comprises six modules in parallel,each of which has ten-stage cavities stacked in series.The six LTD modules are connected to a water tank of diameter 6 m via a 3-m-long impedance-matched deionized waterinsulated coaxial transmission line.In the water tank,the electrical pulses are transmitted down by six horizontal tri-plate transmission lines.A 2.1-m-diameter two-level vacuum insulator stack is utilized to separate the deionized water region from the vacuum region.In the vacuum,the currents are further transported downstream by a two-level magnetically insulated transmission-line and then converged through four post-hole convolutes.Plasma radiation loads or bremsstrahlung electron beam diodes serve as loads that are expected to generate intense soft X rays or warm X rays.The machine is 3.2 m in height and 22 m in outer diameter,including support systems such as a high-voltage charge supply,magnetic core reset system,trigger system,and support platform for inner stalk installation and maintenance.A total of 1440 individual±100-kV multi-gap spark switches and 2880 individual 100-kV capacitors are employed in the accelerator.A total of 12 fiberoptic laser-controlled trigger generators combining photoconductive and traditional gas spark switch technologies are used to realize the synchronous discharge of the more than 1000 gas switches.At an LTD charge voltage of±85 kV,the accelerator stores an initial energy of about 300 kJ and is expected to deliver a current of 3–5 MA into various loads.To date,the LTD facility has shot into a thick-walled aluminum liner load and a reflex triode load.With a thick-walled aluminum liner of inductance 1.81 nH,a current with peak up to 4.1 MA and rise time(10%–90%)of about 60 ns has been achieved.The current transport efficiency from the insulator stack to the liner load approaches 100%during peak times.The LTD accelerator has been used to drive reflex triode loads generating warm X rays with high energy fluence and large radiation area.It has been demonstrated that this LTD is a promising and high-efficiency prime pulsed power source suitable for use in constructing the next generation of large-scale accelerators with currents of tens of megaamperes.展开更多
The capacity to predict X-ray transition and K-edge energies in dense finite-temperatur plasmas with high precision is of primary importance for atomic physics of matter under extreme conditions.The dual characteristi...The capacity to predict X-ray transition and K-edge energies in dense finite-temperatur plasmas with high precision is of primary importance for atomic physics of matter under extreme conditions.The dual characteristics of bound and continuum states in dense matter are modeled by a valence-band-like structure in a generalized ion-sphere approach with states that are either bound,free,or mixed.The self-consistent combination of this model with the Dirac wave equations of multielectron bound states allows one to fully respect the Pauli principle and to take into account the exact nonlocal exchange terms.The generalized method allows very high precision without implication of calibration shifts and scaling parameters and therefore has predictive power.This leads to new insights in the analysis of various data.The simple ionization model representing the K-edge is generalized to excitation–ionization phenomena resulting in an advanced interpretation of ionization depression data in near-solid-density plasmas.The model predicts scaling relations along the isoelectronic sequences and the existence of bound M-states that are in excellent agreement with experimental data,whereas other methods have failed.The application to unexplained data from compound materials also gives good agreement without the need to invoke any additional assumptions in the generalized model,whereas other methods have lacked consistency.展开更多
Decomposition processes of the quenched Zn-Al alloys were studied by differential scanning calorimetry (DSC), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the stabilities o...Decomposition processes of the quenched Zn-Al alloys were studied by differential scanning calorimetry (DSC), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the stabilities of supersaturated solid solution (SSS) of Zn-Al alloy and α' phase formed by quenching would reduce with the increase of Zn content and the precipitation of η-Zn phases even when aging at ambient temperature, so that the exothermic precipitation peak in DSC curve would disappear. The activation energy of the η-Zn precipitation and the reaction enthalpy were calculated and measured. The kinetics of α' decomposition or η-Zn formation was determined by XRD. The microstructure change during aging was observed by TEM.展开更多
The X-ray diffraction beamline developed at Shanghai Synchrotron Radiation Facility(SSRF)is located at the BL14B1 bending magnet port of the 3.5 Ge V storage ring. The beamline optics is based on a collimating mirror,...The X-ray diffraction beamline developed at Shanghai Synchrotron Radiation Facility(SSRF)is located at the BL14B1 bending magnet port of the 3.5 Ge V storage ring. The beamline optics is based on a collimating mirror,a sagittally focused double crystal monochromator and a focusing mirror. Photon flux of 4.43 × 1011phs/s at10 ke V is obtained. The primary instrument equipped in the experimental end-station is a Huber 5021 sixcycle diffractometer. BL14B1 is a general purpose X-ray diffraction beamline and focused on material science,condensed matter physics and other relevant fields looking for structural information.展开更多
The research on the application of X-ray diffraction in the quantitative analysis of Chinese medicines is rare. The main reason is that the technical problems related to the internal standard and the selection of quan...The research on the application of X-ray diffraction in the quantitative analysis of Chinese medicines is rare. The main reason is that the technical problems related to the internal standard and the selection of quantitative peaks are not well solved, and the accuracy and precision of the results are not satisfactory. This study employed the concept of mass absorption coefficient based on the internal standard method, and the full spectrum fitting and quantitative methods were used to solve the above technical problems. The sample was blended. the internal standard substance of zinc oxide was fully ground, and tablets were prepared by positive pressure method. Under certain instrumental conditions, the PXRD pattern was obtained by scanning. The percentage of gypsum fibrosum in Xiaokening tablet was obtained by quantitative analysis of full spectrum fitting internal standard by TOPAS software. The method was investigated by methodology. At the same time, the method was compared by ion chromatography, and SPSS software was used to make a significant t test on the results of the two methods. After the investigation, the average standard recovery rate of CaSO4-2H2O was 99.06%(RSD = 3.02%);and the recovery rate for simulated samples was 96.7%. The method had good specificity. After statistical analysis, there was no significant difference between the new PXRD method and the traditional method of ion chromatography.展开更多
The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental t...The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental temperature range. Data for the unit-cell parameters and temperatures were fitted empirically resulting in the following thermal expansion coefficients： αa = 5.8（3） × 10^-5, αb = 5.8 （1）× 10^-5, αc = 5.2（1）× 10^-5, and αv = 7.4（1） × 10^-3 ℃ 1 in good agreement with a recent neutron powder diffraction study. On the other hand, the variation of the unit-cell angles α, β and γ of kyanite with increase in temperature is very complicated, and the agreement among all studies is poor. The thermal expansion data at ambient pressure reported here and the compression data at ambient temperature from the literature suggest that, for the kyanite lattice, the most and least thermally expandable directions correspond to the most and least compressible directions, respectively.展开更多
This paper derives the physical meanings of peak position, peak width and height of an X-ray diffraction peak from the analyses of the Bragg’s equation, the Scherrer’s formula and the principle of peak intensity cal...This paper derives the physical meanings of peak position, peak width and height of an X-ray diffraction peak from the analyses of the Bragg’s equation, the Scherrer’s formula and the principle of peak intensity calculation. The geometric characteristics of an asymmetric peak are clarified by means of experiment. The relationships between peak shape and domain size/lattice strain have been verified by geological events. Therefore this paper integrates the physical meanings of all 5 basic parameters for an X-ray diffraction peak. Applications of these 5 parameters are exemplified.展开更多
X-ray diffractometry was utilized to study the mineralogical characteristics of the inhalable particles （PM10） sampled during two dust storms in Beijing city on March 18th and May 21st, 2008. We confirm, for the fir...X-ray diffractometry was utilized to study the mineralogical characteristics of the inhalable particles （PM10） sampled during two dust storms in Beijing city on March 18th and May 21st, 2008. We confirm, for the first time, that there stably exists ammonium chloride in the atmosphere when temperature is low. The total sulfates particles were affected by relative humidity. Both species and concentration of sulfates decreased first and then grew back by the end of each dust storm. Koninckite, a phosphate mineral never reported as particulate aerosol before, was identified. Meanwhile, our result shows that a chemical modification on dust minerals occurs during long range transportation. PM10 samples collected during the period of dust storms were dominated by crustal minerals such as quartz, illite/smectite, illite, chlorite, feldspar and calcite, and were notably higher in concentration than that in normal periods of time. The amounts of total sulfates, calcite and feldspar altered in each dust storm. It is derived from 24-hour isentropic backward trajectories that two dust events in spring 2008 originated in different sources.展开更多
A new method of the quantitative phase analysis of the sample containing an amorphous phase or a standardless phase by X-ray diffraction is proposed in the paper. The addtion of a reference phase or some analytical ph...A new method of the quantitative phase analysis of the sample containing an amorphous phase or a standardless phase by X-ray diffraction is proposed in the paper. The addtion of a reference phase or some analytical phase to the analyzed sample is not required in this method and the experimental results are satisfactory.展开更多
The intensity and position of sidebands (satellites) on both sides of main diffraction peak in a great number of X-ray diffraction profiles of alloys always change with progress of aging. The sidebands position is det...The intensity and position of sidebands (satellites) on both sides of main diffraction peak in a great number of X-ray diffraction profiles of alloys always change with progress of aging. The sidebands position is determined by a newly optimized Voigt function in present investigation. Furthermore, for Cu-4 wt pet Ti alloy aged at 400℃ for 720 min and 1080 min, after introducing the weight factor of above two satellites intensity, the relative error between the fitting curves and X-ray diffraction profiles is less than 0.185%, which is more precise than the previously calculating result.展开更多
The pure γ-Ca2SiO4 （]t-C2S） phase was prepared at 1623 K of calcining temperature, 10 h of holding time and furnace cooling. The 13-C2S phase was obtained through γ-C2S conversion with the following calcination sy...The pure γ-Ca2SiO4 （]t-C2S） phase was prepared at 1623 K of calcining temperature, 10 h of holding time and furnace cooling. The 13-C2S phase was obtained through γ-C2S conversion with the following calcination system which was adopted at 1473 K of calcining temperature, 1 h of holding time and then water-cooling. The conversion rate of γ-C2S was studied by the Rietveld quantitative laboratory X-ray powder diffraction supported by synchrotron X-ray diffraction images. The refinement results show that the final conversion rate of γ-C2S is higher than 92%. The absolute error of the γ-C2S conversion rate between two Rietveld refinements （sample with or without α-Al2O3） is 3.6%, which shows that the Rietveld quantitative X-ray diffraction analysis is an appropriate and accurate method to quantify the γ-C2S conversion rate.展开更多
A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample ...A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample by using all diffraction peak data in the mixture sample X-ray diffraction spectrum and combining the relative intensity distribution data of each phase standard peak in JCPDS card to carry on the least square method regression analysis. It is benefit to improve the precision of quantitative phase analysis that the given single line ratio which is usually adopted is taken the place of the multi-peak match intensity ratio and is used in X-ray diffraction quantitative phase analysis of the mixture sample. By analyzing four-group mixture sample, adopting multi-peak match intensity ratio and X-ray diffraction quantitative phase analysis principle of combining the adiabatic and matrix flushing method, it is tested that the experimental results are identical with theory.展开更多
Influence of supersaturation on the structure of a series of freshly prepared supersaturated sodium aluminate solutions with medium concentration was investigated by solution X-ray diffraction. Experimental results sh...Influence of supersaturation on the structure of a series of freshly prepared supersaturated sodium aluminate solutions with medium concentration was investigated by solution X-ray diffraction. Experimental results show that the basic Al-containing species in all kinds of supersaturated solution is four-coordinated ions. Opposite to Al-O distance contracted in highly concentrated solution, a little expand of the Al-O distance from 1.75 *@ to 1.85 *@ occurs with increasing supersaturation, which is consistent with the occurrence of oligomeric aluminate species. Meanwhile, O-O distance in the first shell of H 2O-H 2O(OH) in supersaturated sodium aluminate solution is obviously longer than in hydroxide sodium solution and becomes longer and longer with increasing supersaturation. Na-O bond length is about 2.4 *@ and changes little with supersaturation. The reason for Al-O bond expanding with supersaturation and its influence on the stability of solution was discussed.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
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
基金supported by the National Grand Instrument Project No. SQ2019YFF01014400the Natural Science Foundation of China (Grant Nos. 12375147, 12435011, 12075030)+2 种基金the Beijing Outstanding Young Scientist Project, Project for Young Scientists in Basic Research of Chinese Academy of Sciences (YSBR-115)the Beijing Normal University Scientific Research Initiation Fund for Introducing Talents No. 310432104the Fundamental Research Funds for the Central Universities, Peking University
文摘X-ray free-electron lasers(XFELs)can generate bright X-ray pulses with short durations and narrow bandwidths,leading to extensive applica-tions in many disciplines such as biology,materials science,and ultrafast science.Recently,there has been a growing demand for X-ray pulses with high photon energy,especially from developments in“diffraction-before-destruction”applications and in dynamic mesoscale materials science.Here,we propose utilizing the electron beams at XFELs to drive a meter-scale two-bunch plasma wakefield accelerator and double the energy of the accelerated beam in a compact and inexpensive way.Particle-in-cell simulations are performed to study the beam quality degradation under different beam loading scenarios and nonideal issues,and the results show that more than half of the accelerated beam can meet the requirements of XFELs.After its transport to the undulator,the accelerated beam can improve the photon energy to 22 keV by a factor of around four while maintaining the peak power,thus offering a promising pathway toward high-photon-energy XFELs.
文摘Awell-anticipated wide-field X-ray focusing imager,the Einstein Probe(EP,also named“Tianguan”in Chinese)has caught the eye of astronomers since its launch in January 2024.Initiated and sponsored by the Chinese Academy of Sciences(CAS),and developed in cooperation with the European Space Agency(ESA).
基金support from the National Natural Science Foundation of China(Grant Nos.11775204 and 12105269)the Presidential Foundation of the China Academy of Engineering Physics(Grant No.YZJJLX2018011)。
文摘The first experiments on laser-driven cylindrical gold foam hohlraums have been performed at the 100 kJ SG-Ⅲ laser facility.Measurements of the expanding plasma emission show that there is less expanding plasma fill in foam hohlraums with a wall density of 0.8 g/cm^(3) than in solid gold hohlraums.The radiation temperatures at different angles confirm these results.Simulation results show that the expanding plasma density in the foam hohlraums is lower than in the solid hohlraums,resulting in less expanding plasma emission and higher radiation temperature.Thus,foam gold hohlraums have advantages in reducing wall plasma filling and improving X-ray transmission,which has potential applications in achieving a higher fusion yield.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.22090041 and 22401297)the Guangdong Basic and Applied Basic Research Foundation(Grant No.2022B1515120014).
文摘High-pressure and high-temperature(HPHT)experiments in large-volume presses(LVPs)benefit from reliable,available,and affordable heaters to achieve stable and homogeneous heating and,in some circumstances,X-ray transparency for monitoring of properties of an in situ experiment using X-ray diffraction and contrast imaging techniques.We have developed heaters meeting the above requirements,and we screen the ternary system TiB2–SiC–hexagonal(h)BN(denoted as TSB)to enable manufacture of X-ray transparent heaters for HPHT runs.Heaters fabricated using optimized TSB-631(60%TiB2–30%SiC–10%hBN by weight)have been tested in modified truncated assemblies,showing excellent performance up to 22 GPa and 2395 K in HPHT runs.TSB-631 has good ceramic machinability,outstanding reproducibility,high stability,and negligible temperature gradient for runs at 3–7 GPa with cell assemblies with truncated edge lengths of 8–12 mm.The fabricated heaters not only show excellent performance in HPHT runs,but also demonstrate high X-ray transparency over a wide X-ray wavelength region,indicating potential applications for in situ X-ray diffraction/imaging under HPHT conditions in LVPs and other high-pressure apparatus.
基金supported by the National Natural Science Foundation of China(Grant Nos.12027811 and 51790524).
文摘We have designed,assembled,and tested a 4-MA,60-ns fast linear transformer driver(LTD),which is the first operating generator featuring multiple LTD modules connected in parallel.The LTD-based accelerator comprises six modules in parallel,each of which has ten-stage cavities stacked in series.The six LTD modules are connected to a water tank of diameter 6 m via a 3-m-long impedance-matched deionized waterinsulated coaxial transmission line.In the water tank,the electrical pulses are transmitted down by six horizontal tri-plate transmission lines.A 2.1-m-diameter two-level vacuum insulator stack is utilized to separate the deionized water region from the vacuum region.In the vacuum,the currents are further transported downstream by a two-level magnetically insulated transmission-line and then converged through four post-hole convolutes.Plasma radiation loads or bremsstrahlung electron beam diodes serve as loads that are expected to generate intense soft X rays or warm X rays.The machine is 3.2 m in height and 22 m in outer diameter,including support systems such as a high-voltage charge supply,magnetic core reset system,trigger system,and support platform for inner stalk installation and maintenance.A total of 1440 individual±100-kV multi-gap spark switches and 2880 individual 100-kV capacitors are employed in the accelerator.A total of 12 fiberoptic laser-controlled trigger generators combining photoconductive and traditional gas spark switch technologies are used to realize the synchronous discharge of the more than 1000 gas switches.At an LTD charge voltage of±85 kV,the accelerator stores an initial energy of about 300 kJ and is expected to deliver a current of 3–5 MA into various loads.To date,the LTD facility has shot into a thick-walled aluminum liner load and a reflex triode load.With a thick-walled aluminum liner of inductance 1.81 nH,a current with peak up to 4.1 MA and rise time(10%–90%)of about 60 ns has been achieved.The current transport efficiency from the insulator stack to the liner load approaches 100%during peak times.The LTD accelerator has been used to drive reflex triode loads generating warm X rays with high energy fluence and large radiation area.It has been demonstrated that this LTD is a promising and high-efficiency prime pulsed power source suitable for use in constructing the next generation of large-scale accelerators with currents of tens of megaamperes.
基金supported by the NSFC under Grant Nos.11374315 and 12074395the Invited Scientist Program of CNRS at Ecole Polytechnique,Palaiseau,France。
文摘The capacity to predict X-ray transition and K-edge energies in dense finite-temperatur plasmas with high precision is of primary importance for atomic physics of matter under extreme conditions.The dual characteristics of bound and continuum states in dense matter are modeled by a valence-band-like structure in a generalized ion-sphere approach with states that are either bound,free,or mixed.The self-consistent combination of this model with the Dirac wave equations of multielectron bound states allows one to fully respect the Pauli principle and to take into account the exact nonlocal exchange terms.The generalized method allows very high precision without implication of calibration shifts and scaling parameters and therefore has predictive power.This leads to new insights in the analysis of various data.The simple ionization model representing the K-edge is generalized to excitation–ionization phenomena resulting in an advanced interpretation of ionization depression data in near-solid-density plasmas.The model predicts scaling relations along the isoelectronic sequences and the existence of bound M-states that are in excellent agreement with experimental data,whereas other methods have failed.The application to unexplained data from compound materials also gives good agreement without the need to invoke any additional assumptions in the generalized model,whereas other methods have lacked consistency.
文摘Decomposition processes of the quenched Zn-Al alloys were studied by differential scanning calorimetry (DSC), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the stabilities of supersaturated solid solution (SSS) of Zn-Al alloy and α' phase formed by quenching would reduce with the increase of Zn content and the precipitation of η-Zn phases even when aging at ambient temperature, so that the exothermic precipitation peak in DSC curve would disappear. The activation energy of the η-Zn precipitation and the reaction enthalpy were calculated and measured. The kinetics of α' decomposition or η-Zn formation was determined by XRD. The microstructure change during aging was observed by TEM.
基金Supported by the National Natural Science Foundation of China(Nos.11405253,U1332205,21203235 and 11175239)
文摘The X-ray diffraction beamline developed at Shanghai Synchrotron Radiation Facility(SSRF)is located at the BL14B1 bending magnet port of the 3.5 Ge V storage ring. The beamline optics is based on a collimating mirror,a sagittally focused double crystal monochromator and a focusing mirror. Photon flux of 4.43 × 1011phs/s at10 ke V is obtained. The primary instrument equipped in the experimental end-station is a Huber 5021 sixcycle diffractometer. BL14B1 is a general purpose X-ray diffraction beamline and focused on material science,condensed matter physics and other relevant fields looking for structural information.
文摘The research on the application of X-ray diffraction in the quantitative analysis of Chinese medicines is rare. The main reason is that the technical problems related to the internal standard and the selection of quantitative peaks are not well solved, and the accuracy and precision of the results are not satisfactory. This study employed the concept of mass absorption coefficient based on the internal standard method, and the full spectrum fitting and quantitative methods were used to solve the above technical problems. The sample was blended. the internal standard substance of zinc oxide was fully ground, and tablets were prepared by positive pressure method. Under certain instrumental conditions, the PXRD pattern was obtained by scanning. The percentage of gypsum fibrosum in Xiaokening tablet was obtained by quantitative analysis of full spectrum fitting internal standard by TOPAS software. The method was investigated by methodology. At the same time, the method was compared by ion chromatography, and SPSS software was used to make a significant t test on the results of the two methods. After the investigation, the average standard recovery rate of CaSO4-2H2O was 99.06%(RSD = 3.02%);and the recovery rate for simulated samples was 96.7%. The method had good specificity. After statistical analysis, there was no significant difference between the new PXRD method and the traditional method of ion chromatography.
基金financially supported by the Natural Science Foundation of China(Grant 40872033)the Fundamental Research Funds for the Central Universities(to XL)the Natural Sciences and Engineering Research Council of Canada(to MF)
文摘The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental temperature range. Data for the unit-cell parameters and temperatures were fitted empirically resulting in the following thermal expansion coefficients： αa = 5.8（3） × 10^-5, αb = 5.8 （1）× 10^-5, αc = 5.2（1）× 10^-5, and αv = 7.4（1） × 10^-3 ℃ 1 in good agreement with a recent neutron powder diffraction study. On the other hand, the variation of the unit-cell angles α, β and γ of kyanite with increase in temperature is very complicated, and the agreement among all studies is poor. The thermal expansion data at ambient pressure reported here and the compression data at ambient temperature from the literature suggest that, for the kyanite lattice, the most and least thermally expandable directions correspond to the most and least compressible directions, respectively.
基金NNSFCproject"Incipientmetamorphismofclasticrocks ,exemplifiedbytheProterozoicandtheLowerPaleozoicinthenorth certralpartofHunanProvince,China" (No .49872 0 33) .
文摘This paper derives the physical meanings of peak position, peak width and height of an X-ray diffraction peak from the analyses of the Bragg’s equation, the Scherrer’s formula and the principle of peak intensity calculation. The geometric characteristics of an asymmetric peak are clarified by means of experiment. The relationships between peak shape and domain size/lattice strain have been verified by geological events. Therefore this paper integrates the physical meanings of all 5 basic parameters for an X-ray diffraction peak. Applications of these 5 parameters are exemplified.
基金supported by the National Natural Science Foundation of China(No.40972033, 40872034,40572032)the 15th and 16th Laboratory Funds of Peking University
文摘X-ray diffractometry was utilized to study the mineralogical characteristics of the inhalable particles （PM10） sampled during two dust storms in Beijing city on March 18th and May 21st, 2008. We confirm, for the first time, that there stably exists ammonium chloride in the atmosphere when temperature is low. The total sulfates particles were affected by relative humidity. Both species and concentration of sulfates decreased first and then grew back by the end of each dust storm. Koninckite, a phosphate mineral never reported as particulate aerosol before, was identified. Meanwhile, our result shows that a chemical modification on dust minerals occurs during long range transportation. PM10 samples collected during the period of dust storms were dominated by crustal minerals such as quartz, illite/smectite, illite, chlorite, feldspar and calcite, and were notably higher in concentration than that in normal periods of time. The amounts of total sulfates, calcite and feldspar altered in each dust storm. It is derived from 24-hour isentropic backward trajectories that two dust events in spring 2008 originated in different sources.
文摘A new method of the quantitative phase analysis of the sample containing an amorphous phase or a standardless phase by X-ray diffraction is proposed in the paper. The addtion of a reference phase or some analytical phase to the analyzed sample is not required in this method and the experimental results are satisfactory.
基金supported by the Aeronautical Basic Science Foundation(No.00G53054)the National Natural Science Foundation of China(No.50171053).
文摘The intensity and position of sidebands (satellites) on both sides of main diffraction peak in a great number of X-ray diffraction profiles of alloys always change with progress of aging. The sidebands position is determined by a newly optimized Voigt function in present investigation. Furthermore, for Cu-4 wt pet Ti alloy aged at 400℃ for 720 min and 1080 min, after introducing the weight factor of above two satellites intensity, the relative error between the fitting curves and X-ray diffraction profiles is less than 0.185%, which is more precise than the previously calculating result.
基金Project supported by the National Natural Science Foundation of China(No.51102181)the National Basic Research Program (973) of China(No.2009CB623104)the Open Fund of Large Apparatus of Tongji University(Nos.0002012004 and 0002012012),China
文摘The pure γ-Ca2SiO4 （]t-C2S） phase was prepared at 1623 K of calcining temperature, 10 h of holding time and furnace cooling. The 13-C2S phase was obtained through γ-C2S conversion with the following calcination system which was adopted at 1473 K of calcining temperature, 1 h of holding time and then water-cooling. The conversion rate of γ-C2S was studied by the Rietveld quantitative laboratory X-ray powder diffraction supported by synchrotron X-ray diffraction images. The refinement results show that the final conversion rate of γ-C2S is higher than 92%. The absolute error of the γ-C2S conversion rate between two Rietveld refinements （sample with or without α-Al2O3） is 3.6%, which shows that the Rietveld quantitative X-ray diffraction analysis is an appropriate and accurate method to quantify the γ-C2S conversion rate.
文摘A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample by using all diffraction peak data in the mixture sample X-ray diffraction spectrum and combining the relative intensity distribution data of each phase standard peak in JCPDS card to carry on the least square method regression analysis. It is benefit to improve the precision of quantitative phase analysis that the given single line ratio which is usually adopted is taken the place of the multi-peak match intensity ratio and is used in X-ray diffraction quantitative phase analysis of the mixture sample. By analyzing four-group mixture sample, adopting multi-peak match intensity ratio and X-ray diffraction quantitative phase analysis principle of combining the adiabatic and matrix flushing method, it is tested that the experimental results are identical with theory.
文摘Influence of supersaturation on the structure of a series of freshly prepared supersaturated sodium aluminate solutions with medium concentration was investigated by solution X-ray diffraction. Experimental results show that the basic Al-containing species in all kinds of supersaturated solution is four-coordinated ions. Opposite to Al-O distance contracted in highly concentrated solution, a little expand of the Al-O distance from 1.75 *@ to 1.85 *@ occurs with increasing supersaturation, which is consistent with the occurrence of oligomeric aluminate species. Meanwhile, O-O distance in the first shell of H 2O-H 2O(OH) in supersaturated sodium aluminate solution is obviously longer than in hydroxide sodium solution and becomes longer and longer with increasing supersaturation. Na-O bond length is about 2.4 *@ and changes little with supersaturation. The reason for Al-O bond expanding with supersaturation and its influence on the stability of solution was discussed.
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.
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.
