The structure and disorder-order transformation of NdxFe60.5-x Pt39.5（x = 0, 0.5, 1.0, 1.5） alloys were investigated in situ by high temperature X-ray diffraction. The results show that the lattice parameter a of di...The structure and disorder-order transformation of NdxFe60.5-x Pt39.5（x = 0, 0.5, 1.0, 1.5） alloys were investigated in situ by high temperature X-ray diffraction. The results show that the lattice parameter a of disordered γ phase （FCC, Al structure type） and the lattice parameter ratio c/a of ordered γ1 phase （FCT, L10 structure type） increase linearly with increasing Nd concentration, whereas the c/a ratio decreases with increasing temperature. The transition temperature from ordered FCT to disordered FCC decreases with increasing Nd concentration, but for alloys quenched rapidly from γ phase region into ice-water it increases with increasing Nd.展开更多
The unit-cell parameters and volumes of geikielite(MgTiO_(3))and ilmenite(FeTiO_(3))were investigated at high temperatures up to 700 K and ambient pressure,using in-situ angle-dispersive synchrotron X-ray diffraction....The unit-cell parameters and volumes of geikielite(MgTiO_(3))and ilmenite(FeTiO_(3))were investigated at high temperatures up to 700 K and ambient pressure,using in-situ angle-dispersive synchrotron X-ray diffraction.No phase transition was detected over the experimental temperature range.Using(Berman in J Petrol29:445-522,1988.10.1093/petrology/29.2.445)equations to fit the temperature-volume data,the volumetric thermal expansion coefficients at ambient conditions(α_(V0))of MgTiO_(3) and FeTiO_(3) were obtained as follows:2.55(6)×10^(-5)K^(-1)and 2.82(10)×10^(-5)K^(-1),respectively.We infer that the larger effective ionic radius of Fe^(2+)(Ⅵ)(0.78 A)than that of Mg^(2+)(Ⅵ)(0.72?)renders FeTiO_(3)has a larger volumetric thermal expansivity than MgTiO_(3).Simultaneously,the refined axial thermal expansion coefficients under ambient conditions areα_(a0)=0.74(3)×10^(-5)K^(-1)andα_(c0)=1.08(5)×10^(-5)K^(-1)for the aaxis and c-axis of MgTiO_(3),respectively,andα_(a0)=0.95(5)×10^(-5)K^(-1)andα_(c0)=0.92(12)×10^(-5)K^(-1)for the aaxis and c-axis of FeTiO_(3),respectively.The axial thermal expansivity of MgTiO_(3) is anisotropic,but that of FeTiO_(3) is nearly isotropic.We infer that the main reason for the different axial thermal expansivity between MgTiO_(3) and FeTiO_(3) is that the thermal expansion mode of the Mg-O bond in MgTiO_(3) is different from that of the Fe-O bonds in FeTiO_(3).展开更多
A multiscale crystal plasticity model accounting for temperature-dependent mechanical behaviors without introducing a larger number of unknown parameters was developed.The model was implemented in elastic-plastic self...A multiscale crystal plasticity model accounting for temperature-dependent mechanical behaviors without introducing a larger number of unknown parameters was developed.The model was implemented in elastic-plastic self-consistent(EPSC)and crystal plasticity finite element(CPFE)frameworks for grain-scale simulations.A computationally efficient EPSC model was first employed to estimate the critical resolved shear stress and hardening parameters of the slip and twin systems available in a hexagonal close-packed magnesium alloy,ZEK100.The constitutive parameters were thereafter refined using the CPFE.The crystal plasticity frameworks incorporated with the temperature-dependent constitutive model were used to predict stress–strain curves in macroscale and lattice strains in microscale at different testing temperatures up to 200℃.In particular,the predictions by the crystal plasticity models were compared with the measured lattice strain data at the elevated temperatures by in situ high-energy X-ray diffraction,for the first time.The comparison in the multiscale improved the fidelity of the developed temperature-dependent constitutive model and validated the assumption with regard to the temperature dependency of available slip and twin systems in the magnesium alloy.Finally,this work provides a time-efficient and precise modeling scheme for magnesium alloys at elevated temperatures.展开更多
In the majority of rice producing countries, much of the husk produced from the processing of rice is either burnt or dumped as waste. Rice husks are one of the largest readily available but most under-utilized biomas...In the majority of rice producing countries, much of the husk produced from the processing of rice is either burnt or dumped as waste. Rice husks are one of the largest readily available but most under-utilized biomass resources, being an ideal fuel for electricity generation. In this communication the author reported the X-ray diffraction studies on rice husk ash (RHA) concrete samples heated at 300℃ and 1000℃ which were compared and observed that at 300℃ the inner surface of the specimen shows an extra compound. Copper Iron Lead Telluride Cu3FePbTe4 along with SiO2, Al5Fe2ZnO4 was present on the surface which also and might be responsible for imparting additional strength to 7.5% RHA concrete at 300℃. The X-ray diffraction studies of samples exposed to 1000℃ on temperature showed that the additional chemical compounds formed at lower temperatures were not found at 1000℃ at outer and inner surfaces of the sample indicating its possible reason for exhibiting poor strengths for all specimens. The outer surface of the 1000℃ heated specimen showed a compound named dichloroglyoxime C2H2Cl2N2O2 along with SiO2 but the inner surface of the same sample showed SiO2 alone.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
Layered Ni-rich cathode materials,LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NCM622),are synthesized via solid reaction assisted with a plasma milling pretreatment,which is resulted in lowering sintering temperatures for solid p...Layered Ni-rich cathode materials,LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NCM622),are synthesized via solid reaction assisted with a plasma milling pretreatment,which is resulted in lowering sintering temperatures for solid precursors.The plasma milling pretreated NCM622 cathode material sintered at 780℃(named as PM-780)demonstrates good cycling stability at both room and subzero temperatures.Specifically,the PM-780 cathode delivers an initial discharge capacity of 171.2 mAh g^(-1) and a high capacity retention of 99.7%after 300 cycles with current rate of 90 mA g^(-1) at 30℃,while stable capacities of 120.3 and 94.0 m Ah g^(-1) can be remained at-10℃and-20℃in propylene carbonate contained electrolyte,respectively.In-situ XRD together with XPS and SEM reveal that the NCM622 cycled at-10℃presented better structural stability and more intact interface than that of cathodes cycled at 30℃.It is also found that subzero temperatures only limit the discharge potential of NCM622 without destroying its structure during cycling since it still exhibits high discharge capacity at 30℃after cycled at subzero temperatures.This work may expand the knowledge about the low-temperature characteristics of layered cathode materials for Li-ion batteries and lay the foundation for its further applications.展开更多
Thermal parameters of TIBr were determined using both X-ray and neutron diffraction techniques. The data was analysed by Rietveld profile refinement procedure. From the neutron diffraction data, due to weak odd-order ...Thermal parameters of TIBr were determined using both X-ray and neutron diffraction techniques. The data was analysed by Rietveld profile refinement procedure. From the neutron diffraction data, due to weak odd-order reflections, it was not possible to determine the individual thermal parameters. TheX-ray diffraction measurements yielded BT1=0.296(5) nm2 and BBr=0.162(5) nm2. The overall isotropic value, B was 0.252(7) nm2 which is in good agreement with B=0.230(8) nm2 obtained from present neutron diffraction measurements. The present values are also in good agreement with theoretical estimates obtained from the shell models.展开更多
The zircaloy-4 is an alloy of zirconium, which has a very weak thermal neutron absorption, satisfactory mechanical properties and good corrosion resistance at high temperature. For these reasons, zircaloy-4 is used as...The zircaloy-4 is an alloy of zirconium, which has a very weak thermal neutron absorption, satisfactory mechanical properties and good corrosion resistance at high temperature. For these reasons, zircaloy-4 is used as a material of cladding fuel rod of nuclear reactors. In this environment, it is submitted to different severe conditions of temperature and pressure. The objective of this work is to study the oxidation kinetics of zircaloy-4 in air by the X-ray diffraction technique. The experiments were realized in a “HTK1200” furnace installed as a sample holder in the diffractometer at different temperatures;25°C, 350°C, 500°C, 830°C and 1000°C. The results show that the monoclinic and the tetragonal phases are formed at 350°C temperature. The volume fraction of these phases increased with the temperature until 1000°C where the α phase disappears completely. For simulating the case of loss-of-coolant-accident (LOCA), we have done x-ray diffraction of Zry-4 samples water quenched at 1050°C with different ageing times at this temperature. At 10 seconds and more, there is an important evolution of monoclinic and tetragonal zirconias, which leads to the degradation of zircaloy-4 properties.展开更多
Using marble samples from the Nikani Ghar marble and Nowshera Formation from Northern Pakistan the determination of the temperature of metamorphism was undertaken with the help of calcite-dolomite solvus geothermomete...Using marble samples from the Nikani Ghar marble and Nowshera Formation from Northern Pakistan the determination of the temperature of metamorphism was undertaken with the help of calcite-dolomite solvus geothermometer. Two types of marbles, that is, calcite-dolomite marble and quartz-bearing calcite-dolomite marble were selected. Petrographic and scanning electron microscope analysis of dolomite samples indicated different grain sizes. X-ray diffraction technique indicated the calcites MgCO3 content up to 7.93 mol.%. Nikani Ghar marble samples have shown lower contents of MgCO3 as compared to samples from Nowshera Formation. The calcite-dolomite-quartz marble has also showed relatively lower MgCO3 content and hence rather low temperature （-500 ℃）. The temperature reached during peak metamorphism of the investigated marble occurrence, based on calcitedolomite solvus was 628 ℃. Metamorphic temperatures derived from the present study were shown as a linear graph and values were in good agreement with the published literature.展开更多
Transformation-induced plasticity(TRIP)steel possesses high strength and formability,enabling the use of a thinner gauge material and allowing for the fabrication of complex shapes.In this research,we measured the eff...Transformation-induced plasticity(TRIP)steel possesses high strength and formability,enabling the use of a thinner gauge material and allowing for the fabrication of complex shapes.In this research,we measured the effect of bending temperatures on the microstructure and air-bending springback angle of TRIP steel at temperatures from 25 to 600C.Real-time in situ X-ray diffraction and scanning electron microscopy were used for pre-and postbending analysis.As the prebending temperature increased from 25C to 600C,the retained austenite(RA)volume fraction decreased,and the RA transformed to bainite at temperatures above 400C.The springback angle was positively correlated with the prebending RA volume fraction,with the smallest springback angle achieved at 400C.Additionally,the springback angle was positively correlated with the bending angle,because the RA transformation ratio contributed to increased strain hardening.Further microstructure analysis revealed that the RA became elongated in the tension direction as the bending temperatures increased.展开更多
Integral diffraction coefficients of the crystal are the essential data of a crystal spectrometer which is extensively used to measure quantitative x-ray spectra of high temperature plasmas in kilo-electron-volt regio...Integral diffraction coefficients of the crystal are the essential data of a crystal spectrometer which is extensively used to measure quantitative x-ray spectra of high temperature plasmas in kilo-electron-volt region. An experimental method has been developed to measure the integral diffraction coefficients of crystals on beamline 4B7 of Beijing Synchrotron Radiation Facility. The integral diffraction coefficients of several crystals including polyethylene terephthalate （PET）, thallium acid phthalate （T1AP） and rubidium acid phthalate （RAP） crystals have been measured in the x-ray energy range 2100-5600 eV and compared with the calculations of the ＇Darwin Prins＇ and the ＇Mosaic＇ models. It is shown that the integral diffraction coefficients of these crystals are between the calculations of the ＇Darwin Prins＇ and the ＇Mosaic＇ models, but more close to the ＇Darwin Prins＇ model calculations.展开更多
In this work, Mn2O3 nanoparticles (NPs) are prepared by co-precipitation technique. The synthesized sample is characterized by X-ray powder diffraction (XRD). The XRD spectrum reveals the cubic structure of Mn2O3 NPs ...In this work, Mn2O3 nanoparticles (NPs) are prepared by co-precipitation technique. The synthesized sample is characterized by X-ray powder diffraction (XRD). The XRD spectrum reveals the cubic structure of Mn2O3 NPs and the lattice parameter is calculated to be 9.4232 ?. Crystallite size (D) is estimated using Debye-Scherer’s formula and is found to be 17.3 nm. A micrograph for the NPs is obtained using Transmission Electron Microscopy (TEM). The Mn2O3 nanoparticles are viewed at 7500× magnification and their shape is spherical. D is also measured using TEM and it is 19.1 nm, which is very close to the one obtained from XRD. The elemental contents of the prepared samples are determined using particle induced X-ray emission (PIXE). In addition, the oxygencontent of the sample is obtained using non Rutherford backscattering spectroscopy (RBS) at 3 MeV proton beam. The sample shows high purity and the RBS technique is more accurate in determining the O-content. The presence of functional groups and the chemical bonding is confirmed by FTIR spectrum. The energy band gap (Eg) is calculated for the NPs using the UV-visible optical spectroscopy between 350 nm and 800 nm and found to be 1.24 eV. The sample shows high absorption in the visible range. The magnetization (VSM) is conducted to the sample and the saturation magnetization (Ms) is calculated as 2.642 emu/g. The hysteresis loop shows antiferromagnetic behavior. The EPR analysis is performed at room temperature for the NPs. The g-factor is calculated from the spectrum and found to be 1.985, and the magnetic field shift occurs at Bo = 350.5 mT. The intensity appeared to be high, which confirms the existence of Mn2+ ions on the surface.展开更多
The crystal structure of D-valine has been determined by Mo-Ka (l = 0.71073 ? X-ray diffraction method for the first time. It crystallizes in monoclinic, space group P21 (Z = 4) with a = 9.6728(5), b = 5.2722(3), c = ...The crystal structure of D-valine has been determined by Mo-Ka (l = 0.71073 ? X-ray diffraction method for the first time. It crystallizes in monoclinic, space group P21 (Z = 4) with a = 9.6728(5), b = 5.2722(3), c = 12.0425(8) ? = 90.750(2)?at 293 K. The asymmetric unit contains two crystallographically independent molecules A (trans form) and B (gauche I form). They are rotational isomers with two kinds of conformations about the Ca Cb bond. The results of measurements of crystal structure at 293, 270, 223 and 173 K show a little change in bond lengths and geometries as a function of temperature. No evidence was obtained for the existence of configuration transformation from D- to L-valine.展开更多
The Debye temperature 0D of intermetallic compound TiAl at room temperature was determined by means of X-ray diffraction.The experiments show that the Debye temperature of TiAl is 515 K,which is obviously higher than ...The Debye temperature 0D of intermetallic compound TiAl at room temperature was determined by means of X-ray diffraction.The experiments show that the Debye temperature of TiAl is 515 K,which is obviously higher than that of Al(394 K)or Ti(380 K).The experimental results indicate that the bonding in the intermetallic compound TiAl is stronger than that in pure metal Ti or Al which is in good agravement with the calculation of its valence electron structures.The relationship between the Debye temperature of TiAl and its brittle-ductile transition temperature is also dealt with in the paper.展开更多
Holmium doped GaN diluted magnetic semiconductor thin films have been prepared by thermal evaporation technique and subsequent ammonia annealing. X-ray diffraction mea- surements reveal all peaks belong to the purely ...Holmium doped GaN diluted magnetic semiconductor thin films have been prepared by thermal evaporation technique and subsequent ammonia annealing. X-ray diffraction mea- surements reveal all peaks belong to the purely hexagonal wurtzite structure. Surface mor- phology and composition analysis were carried out by scanning electron microscopy and energy dispersive spectroscopy respectively. The room temperature ferromagnetic proper- ties of Gal-xHoxN （x=0.0, 0.05） films were analyzed using vibrating sample magnetometer at room temperature. Magnetic measurements showed that the undoped films （i.e. GaN） exhibited diamagnetic behavior, while the Ho-doped （Gao.95Hoo.05N） film exhibited a ferro- magnetic behavior.展开更多
The structural stability of Zn2GeO4 was investigated by in-situ synchrotron radiation angle dispersive x-ray diffraction. The pressure-induced amorphization is observed up to 10 GPa at room temperature. The high-press...The structural stability of Zn2GeO4 was investigated by in-situ synchrotron radiation angle dispersive x-ray diffraction. The pressure-induced amorphization is observed up to 10 GPa at room temperature. The high-pressure and hightemperature sintering experiments and the Raman spectrum measurement firstly were performed to suggest that the amorphization is caused by insufficient thermal energy and tilting Zn–O–Ge and Ge–O–Ge bond angles with increasing pressure,respectively. The calculated bulk modulus of Zn2GeO4 is 117.8 GPa from the pressure-volume data. In general, insights into the mechanical behavior and structure evolution of Zn2GeO4 will shed light on the micro-mechanism of the materials variation under high pressure and high temperature.展开更多
The new high-entropy metallic-glasses(HE-MGs)are designed by using Dy and Ho to replace Gd in Gd_(36)Tb_(20)Co_(20)Al_(24)alloy based on the binary eutectic clusters method.Compared with the equiatomic Gd 25 Tb 25 Co ...The new high-entropy metallic-glasses(HE-MGs)are designed by using Dy and Ho to replace Gd in Gd_(36)Tb_(20)Co_(20)Al_(24)alloy based on the binary eutectic clusters method.Compared with the equiatomic Gd 25 Tb 25 Co 25 Al 25 HE-MG,the non-equiatomic RE_(36)Tb_(20)Co_(20)Al_(24)(RE=Gd,Dy,or Ho)alloys show bet-ter glass-forming ability,which is attributed to the deep binary eutectic compositions used for alloy de-sign.All RE_(36)Tb_(20)Co_(20)Al_(24)alloys undergo second-order magnetic transition.An extreme peak value of magnetic entropy change is obtained as 10.3 J kg^(-1) K-1(5 T)for the Ho_(36)Tb_(20)Co_(20)Al_(24)alloy.In-situ high-energy synchrotron X-ray diffraction was conducted to observe the microstructural difference among non-equiatomic samples at cryogenic temperatures.The results indicate that Gd_(36)Tb_(20)Co_(20)Al_(24)alloy possesses a relatively large average value of the dispersion of local clusters at a low-temperature range.This,com-bined with the critical exponentβclose to 0.5 of Gd_(36)Tb_(20)Co_(20)Al_(24)alloy,leads to its widest working temperature span among non-equiatomic samples.This work successfully establishes the connection be-tween microstructure and magnetocaloric properties of HE-MGs,which is beneficial for understanding the physical mechanism of the magnetocaloric behaviors of HE-MGs.展开更多
A series of gold-based catalysts were prepared by deposition precipitation or incipient wetness impregnation on CexZ1-xO2 solid solutions （0.28≤x≤1.00）. The morphological and structural characterization of these c...A series of gold-based catalysts were prepared by deposition precipitation or incipient wetness impregnation on CexZ1-xO2 solid solutions （0.28≤x≤1.00）. The morphological and structural characterization of these catalysts were carried out with X-ray diffraction, trans- mission electron microscopy （TEM） analysis and physical adsorption technique, and their redox properties were studied by temperature programmed reduction using both H2 and CO as probe molecules. Two cycles of oxidation/reduction were carried out in order to evaluate the effects of redox aging and gold sintering on the oxygen exchange capability. As observed with other noble metals, gold enhanced and promoted the ceria reduction at lower temperatures. Reduction by CO was shown to be dependent on the fine dispersion of gold and to be nega- tively affected by the ageing process more than reduction with hydrogen. This might have implications in reactions like water gas shift and CO-PROX which involve CO as a main reactant.展开更多
文摘The structure and disorder-order transformation of NdxFe60.5-x Pt39.5（x = 0, 0.5, 1.0, 1.5） alloys were investigated in situ by high temperature X-ray diffraction. The results show that the lattice parameter a of disordered γ phase （FCC, Al structure type） and the lattice parameter ratio c/a of ordered γ1 phase （FCT, L10 structure type） increase linearly with increasing Nd concentration, whereas the c/a ratio decreases with increasing temperature. The transition temperature from ordered FCT to disordered FCC decreases with increasing Nd concentration, but for alloys quenched rapidly from γ phase region into ice-water it increases with increasing Nd.
基金supported by National Natural Science Foundation of China(U2032118 and 42172048)Guizhou Provincial Science and Technology Projects(QKHPTRCYQK[2023]035 and QKHJC-ZK[2021]ZD042)+1 种基金Hundred Talents Program of the Chinese Academy of SciencesGuizhou Provincial 2020 and 2021 Science and Technology Subsidies(Nos.GZ2020SIG and GZ2021SIG)。
文摘The unit-cell parameters and volumes of geikielite(MgTiO_(3))and ilmenite(FeTiO_(3))were investigated at high temperatures up to 700 K and ambient pressure,using in-situ angle-dispersive synchrotron X-ray diffraction.No phase transition was detected over the experimental temperature range.Using(Berman in J Petrol29:445-522,1988.10.1093/petrology/29.2.445)equations to fit the temperature-volume data,the volumetric thermal expansion coefficients at ambient conditions(α_(V0))of MgTiO_(3) and FeTiO_(3) were obtained as follows:2.55(6)×10^(-5)K^(-1)and 2.82(10)×10^(-5)K^(-1),respectively.We infer that the larger effective ionic radius of Fe^(2+)(Ⅵ)(0.78 A)than that of Mg^(2+)(Ⅵ)(0.72?)renders FeTiO_(3)has a larger volumetric thermal expansivity than MgTiO_(3).Simultaneously,the refined axial thermal expansion coefficients under ambient conditions areα_(a0)=0.74(3)×10^(-5)K^(-1)andα_(c0)=1.08(5)×10^(-5)K^(-1)for the aaxis and c-axis of MgTiO_(3),respectively,andα_(a0)=0.95(5)×10^(-5)K^(-1)andα_(c0)=0.92(12)×10^(-5)K^(-1)for the aaxis and c-axis of FeTiO_(3),respectively.The axial thermal expansivity of MgTiO_(3) is anisotropic,but that of FeTiO_(3) is nearly isotropic.We infer that the main reason for the different axial thermal expansivity between MgTiO_(3) and FeTiO_(3) is that the thermal expansion mode of the Mg-O bond in MgTiO_(3) is different from that of the Fe-O bonds in FeTiO_(3).
基金the supports by the Fundamental Research Program of the Korea Institute of Materials Science(KIMS,PNK7760)。
文摘A multiscale crystal plasticity model accounting for temperature-dependent mechanical behaviors without introducing a larger number of unknown parameters was developed.The model was implemented in elastic-plastic self-consistent(EPSC)and crystal plasticity finite element(CPFE)frameworks for grain-scale simulations.A computationally efficient EPSC model was first employed to estimate the critical resolved shear stress and hardening parameters of the slip and twin systems available in a hexagonal close-packed magnesium alloy,ZEK100.The constitutive parameters were thereafter refined using the CPFE.The crystal plasticity frameworks incorporated with the temperature-dependent constitutive model were used to predict stress–strain curves in macroscale and lattice strains in microscale at different testing temperatures up to 200℃.In particular,the predictions by the crystal plasticity models were compared with the measured lattice strain data at the elevated temperatures by in situ high-energy X-ray diffraction,for the first time.The comparison in the multiscale improved the fidelity of the developed temperature-dependent constitutive model and validated the assumption with regard to the temperature dependency of available slip and twin systems in the magnesium alloy.Finally,this work provides a time-efficient and precise modeling scheme for magnesium alloys at elevated temperatures.
文摘In the majority of rice producing countries, much of the husk produced from the processing of rice is either burnt or dumped as waste. Rice husks are one of the largest readily available but most under-utilized biomass resources, being an ideal fuel for electricity generation. In this communication the author reported the X-ray diffraction studies on rice husk ash (RHA) concrete samples heated at 300℃ and 1000℃ which were compared and observed that at 300℃ the inner surface of the specimen shows an extra compound. Copper Iron Lead Telluride Cu3FePbTe4 along with SiO2, Al5Fe2ZnO4 was present on the surface which also and might be responsible for imparting additional strength to 7.5% RHA concrete at 300℃. The X-ray diffraction studies of samples exposed to 1000℃ on temperature showed that the additional chemical compounds formed at lower temperatures were not found at 1000℃ at outer and inner surfaces of the sample indicating its possible reason for exhibiting poor strengths for all specimens. The outer surface of the 1000℃ heated specimen showed a compound named dichloroglyoxime C2H2Cl2N2O2 along with SiO2 but the inner surface of the same sample showed SiO2 alone.
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supported by the National Natural Science Foundation of China(No.51671088,51621001,51822104 and 51831009)the Guangzhou Science and Technology Plan Projects(No.201904020018)the Fundamental Research Funds for the Central Universities in South China University of Technology(No.2019CG24)。
文摘Layered Ni-rich cathode materials,LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NCM622),are synthesized via solid reaction assisted with a plasma milling pretreatment,which is resulted in lowering sintering temperatures for solid precursors.The plasma milling pretreated NCM622 cathode material sintered at 780℃(named as PM-780)demonstrates good cycling stability at both room and subzero temperatures.Specifically,the PM-780 cathode delivers an initial discharge capacity of 171.2 mAh g^(-1) and a high capacity retention of 99.7%after 300 cycles with current rate of 90 mA g^(-1) at 30℃,while stable capacities of 120.3 and 94.0 m Ah g^(-1) can be remained at-10℃and-20℃in propylene carbonate contained electrolyte,respectively.In-situ XRD together with XPS and SEM reveal that the NCM622 cycled at-10℃presented better structural stability and more intact interface than that of cathodes cycled at 30℃.It is also found that subzero temperatures only limit the discharge potential of NCM622 without destroying its structure during cycling since it still exhibits high discharge capacity at 30℃after cycled at subzero temperatures.This work may expand the knowledge about the low-temperature characteristics of layered cathode materials for Li-ion batteries and lay the foundation for its further applications.
文摘Thermal parameters of TIBr were determined using both X-ray and neutron diffraction techniques. The data was analysed by Rietveld profile refinement procedure. From the neutron diffraction data, due to weak odd-order reflections, it was not possible to determine the individual thermal parameters. TheX-ray diffraction measurements yielded BT1=0.296(5) nm2 and BBr=0.162(5) nm2. The overall isotropic value, B was 0.252(7) nm2 which is in good agreement with B=0.230(8) nm2 obtained from present neutron diffraction measurements. The present values are also in good agreement with theoretical estimates obtained from the shell models.
文摘The zircaloy-4 is an alloy of zirconium, which has a very weak thermal neutron absorption, satisfactory mechanical properties and good corrosion resistance at high temperature. For these reasons, zircaloy-4 is used as a material of cladding fuel rod of nuclear reactors. In this environment, it is submitted to different severe conditions of temperature and pressure. The objective of this work is to study the oxidation kinetics of zircaloy-4 in air by the X-ray diffraction technique. The experiments were realized in a “HTK1200” furnace installed as a sample holder in the diffractometer at different temperatures;25°C, 350°C, 500°C, 830°C and 1000°C. The results show that the monoclinic and the tetragonal phases are formed at 350°C temperature. The volume fraction of these phases increased with the temperature until 1000°C where the α phase disappears completely. For simulating the case of loss-of-coolant-accident (LOCA), we have done x-ray diffraction of Zry-4 samples water quenched at 1050°C with different ageing times at this temperature. At 10 seconds and more, there is an important evolution of monoclinic and tetragonal zirconias, which leads to the degradation of zircaloy-4 properties.
基金the financial support extended by the Higher Education Commission (HEC),Pakistan and National Academy of Sciences (USA),project ID 131,under the PAK-USA S & T Cooperation Program,Award (No.0521315)the HEC,Pakistan for their support in the form of “International Research Support Initiative Program (IRSIP)” to conduct a part of research at Department of Earth Sciences,University of Cambridge,UnitedKingdomfinancial support extended by the Directorate of S & T,KP regarding minerals upgradation
文摘Using marble samples from the Nikani Ghar marble and Nowshera Formation from Northern Pakistan the determination of the temperature of metamorphism was undertaken with the help of calcite-dolomite solvus geothermometer. Two types of marbles, that is, calcite-dolomite marble and quartz-bearing calcite-dolomite marble were selected. Petrographic and scanning electron microscope analysis of dolomite samples indicated different grain sizes. X-ray diffraction technique indicated the calcites MgCO3 content up to 7.93 mol.%. Nikani Ghar marble samples have shown lower contents of MgCO3 as compared to samples from Nowshera Formation. The calcite-dolomite-quartz marble has also showed relatively lower MgCO3 content and hence rather low temperature （-500 ℃）. The temperature reached during peak metamorphism of the investigated marble occurrence, based on calcitedolomite solvus was 628 ℃. Metamorphic temperatures derived from the present study were shown as a linear graph and values were in good agreement with the published literature.
基金This research was funded by Faculty of Engineering,King Mongkut’s Institute of Technology Ladkrabang.
文摘Transformation-induced plasticity(TRIP)steel possesses high strength and formability,enabling the use of a thinner gauge material and allowing for the fabrication of complex shapes.In this research,we measured the effect of bending temperatures on the microstructure and air-bending springback angle of TRIP steel at temperatures from 25 to 600C.Real-time in situ X-ray diffraction and scanning electron microscopy were used for pre-and postbending analysis.As the prebending temperature increased from 25C to 600C,the retained austenite(RA)volume fraction decreased,and the RA transformed to bainite at temperatures above 400C.The springback angle was positively correlated with the prebending RA volume fraction,with the smallest springback angle achieved at 400C.Additionally,the springback angle was positively correlated with the bending angle,because the RA transformation ratio contributed to increased strain hardening.Further microstructure analysis revealed that the RA became elongated in the tension direction as the bending temperatures increased.
基金Project supported by the Foundation of National Key Laboratory of High Temperature and Density Plasma Physics(Grant No.9140C6804020704)the National Natural Science Foundation of China(Grant No.10874156)one of the authors,GanXin-Shi,was also partially supported by the School of Physical Science and Technology in Sichuan University,China
文摘Integral diffraction coefficients of the crystal are the essential data of a crystal spectrometer which is extensively used to measure quantitative x-ray spectra of high temperature plasmas in kilo-electron-volt region. An experimental method has been developed to measure the integral diffraction coefficients of crystals on beamline 4B7 of Beijing Synchrotron Radiation Facility. The integral diffraction coefficients of several crystals including polyethylene terephthalate （PET）, thallium acid phthalate （T1AP） and rubidium acid phthalate （RAP） crystals have been measured in the x-ray energy range 2100-5600 eV and compared with the calculations of the ＇Darwin Prins＇ and the ＇Mosaic＇ models. It is shown that the integral diffraction coefficients of these crystals are between the calculations of the ＇Darwin Prins＇ and the ＇Mosaic＇ models, but more close to the ＇Darwin Prins＇ model calculations.
文摘In this work, Mn2O3 nanoparticles (NPs) are prepared by co-precipitation technique. The synthesized sample is characterized by X-ray powder diffraction (XRD). The XRD spectrum reveals the cubic structure of Mn2O3 NPs and the lattice parameter is calculated to be 9.4232 ?. Crystallite size (D) is estimated using Debye-Scherer’s formula and is found to be 17.3 nm. A micrograph for the NPs is obtained using Transmission Electron Microscopy (TEM). The Mn2O3 nanoparticles are viewed at 7500× magnification and their shape is spherical. D is also measured using TEM and it is 19.1 nm, which is very close to the one obtained from XRD. The elemental contents of the prepared samples are determined using particle induced X-ray emission (PIXE). In addition, the oxygencontent of the sample is obtained using non Rutherford backscattering spectroscopy (RBS) at 3 MeV proton beam. The sample shows high purity and the RBS technique is more accurate in determining the O-content. The presence of functional groups and the chemical bonding is confirmed by FTIR spectrum. The energy band gap (Eg) is calculated for the NPs using the UV-visible optical spectroscopy between 350 nm and 800 nm and found to be 1.24 eV. The sample shows high absorption in the visible range. The magnetization (VSM) is conducted to the sample and the saturation magnetization (Ms) is calculated as 2.642 emu/g. The hysteresis loop shows antiferromagnetic behavior. The EPR analysis is performed at room temperature for the NPs. The g-factor is calculated from the spectrum and found to be 1.985, and the magnetic field shift occurs at Bo = 350.5 mT. The intensity appeared to be high, which confirms the existence of Mn2+ ions on the surface.
基金the grant of 863 program (863-103-13-06-01) and NNSFC (29672003)
文摘The crystal structure of D-valine has been determined by Mo-Ka (l = 0.71073 ? X-ray diffraction method for the first time. It crystallizes in monoclinic, space group P21 (Z = 4) with a = 9.6728(5), b = 5.2722(3), c = 12.0425(8) ? = 90.750(2)?at 293 K. The asymmetric unit contains two crystallographically independent molecules A (trans form) and B (gauche I form). They are rotational isomers with two kinds of conformations about the Ca Cb bond. The results of measurements of crystal structure at 293, 270, 223 and 173 K show a little change in bond lengths and geometries as a function of temperature. No evidence was obtained for the existence of configuration transformation from D- to L-valine.
基金supported by the National Advanced Material Committee of China
文摘The Debye temperature 0D of intermetallic compound TiAl at room temperature was determined by means of X-ray diffraction.The experiments show that the Debye temperature of TiAl is 515 K,which is obviously higher than that of Al(394 K)or Ti(380 K).The experimental results indicate that the bonding in the intermetallic compound TiAl is stronger than that in pure metal Ti or Al which is in good agravement with the calculation of its valence electron structures.The relationship between the Debye temperature of TiAl and its brittle-ductile transition temperature is also dealt with in the paper.
文摘Holmium doped GaN diluted magnetic semiconductor thin films have been prepared by thermal evaporation technique and subsequent ammonia annealing. X-ray diffraction mea- surements reveal all peaks belong to the purely hexagonal wurtzite structure. Surface mor- phology and composition analysis were carried out by scanning electron microscopy and energy dispersive spectroscopy respectively. The room temperature ferromagnetic proper- ties of Gal-xHoxN （x=0.0, 0.05） films were analyzed using vibrating sample magnetometer at room temperature. Magnetic measurements showed that the undoped films （i.e. GaN） exhibited diamagnetic behavior, while the Ho-doped （Gao.95Hoo.05N） film exhibited a ferro- magnetic behavior.
基金Project supported by the Joint Fund of the National Natural Science Foundation of China and Chinese Academy of Sciences(Grant No.U1332104)
文摘The structural stability of Zn2GeO4 was investigated by in-situ synchrotron radiation angle dispersive x-ray diffraction. The pressure-induced amorphization is observed up to 10 GPa at room temperature. The high-pressure and hightemperature sintering experiments and the Raman spectrum measurement firstly were performed to suggest that the amorphization is caused by insufficient thermal energy and tilting Zn–O–Ge and Ge–O–Ge bond angles with increasing pressure,respectively. The calculated bulk modulus of Zn2GeO4 is 117.8 GPa from the pressure-volume data. In general, insights into the mechanical behavior and structure evolution of Zn2GeO4 will shed light on the micro-mechanism of the materials variation under high pressure and high temperature.
基金financially supported by the National Natu-ral Science Foundation of China(Nos.52171154,51871076,and 51827801)Interdisciplinary Research Foundation of HIT(No.IR2021201)CGN-HIT Advanced Nuclear and New Energy Re-search Institute(No.CGN-HIT202209).
文摘The new high-entropy metallic-glasses(HE-MGs)are designed by using Dy and Ho to replace Gd in Gd_(36)Tb_(20)Co_(20)Al_(24)alloy based on the binary eutectic clusters method.Compared with the equiatomic Gd 25 Tb 25 Co 25 Al 25 HE-MG,the non-equiatomic RE_(36)Tb_(20)Co_(20)Al_(24)(RE=Gd,Dy,or Ho)alloys show bet-ter glass-forming ability,which is attributed to the deep binary eutectic compositions used for alloy de-sign.All RE_(36)Tb_(20)Co_(20)Al_(24)alloys undergo second-order magnetic transition.An extreme peak value of magnetic entropy change is obtained as 10.3 J kg^(-1) K-1(5 T)for the Ho_(36)Tb_(20)Co_(20)Al_(24)alloy.In-situ high-energy synchrotron X-ray diffraction was conducted to observe the microstructural difference among non-equiatomic samples at cryogenic temperatures.The results indicate that Gd_(36)Tb_(20)Co_(20)Al_(24)alloy possesses a relatively large average value of the dispersion of local clusters at a low-temperature range.This,com-bined with the critical exponentβclose to 0.5 of Gd_(36)Tb_(20)Co_(20)Al_(24)alloy,leads to its widest working temperature span among non-equiatomic samples.This work successfully establishes the connection be-tween microstructure and magnetocaloric properties of HE-MGs,which is beneficial for understanding the physical mechanism of the magnetocaloric behaviors of HE-MGs.
文摘A series of gold-based catalysts were prepared by deposition precipitation or incipient wetness impregnation on CexZ1-xO2 solid solutions （0.28≤x≤1.00）. The morphological and structural characterization of these catalysts were carried out with X-ray diffraction, trans- mission electron microscopy （TEM） analysis and physical adsorption technique, and their redox properties were studied by temperature programmed reduction using both H2 and CO as probe molecules. Two cycles of oxidation/reduction were carried out in order to evaluate the effects of redox aging and gold sintering on the oxygen exchange capability. As observed with other noble metals, gold enhanced and promoted the ceria reduction at lower temperatures. Reduction by CO was shown to be dependent on the fine dispersion of gold and to be nega- tively affected by the ageing process more than reduction with hydrogen. This might have implications in reactions like water gas shift and CO-PROX which involve CO as a main reactant.
