The morphologies of intermetallic phases(IMCs)during directional solidification of the Sn-Cu(L+Cu_(3)Sn→Cu_(6)Sn_(5))and Sn-Co(L+CoSn→CoSn_(2))peritectic systems were analyzed.The primary Cu_(3)Sn and peritectic Cu_...The morphologies of intermetallic phases(IMCs)during directional solidification of the Sn-Cu(L+Cu_(3)Sn→Cu_(6)Sn_(5))and Sn-Co(L+CoSn→CoSn_(2))peritectic systems were analyzed.The primary Cu_(3)Sn and peritectic Cu_(6)Sn_(5)phases in Sn-Cu alloy are IMCs whose solubility ranges are narrow,while both the primary CoSn and peritectic CoSn_(2)phases in Sn-Co alloy are IMCs whose solubility ranges are nil in equilibrium condition.The experimental results before acid corrosion shows that the dendritic morphology of both the Cu_(6)Sn_(5)and CoSn_(2)phases can be observed.The investigation on the local dendritic morphology after deep acid corrosion shows that these dendrites are composed of small sub-structures with faceted feature.Faceted growth of the primary Cu_(3)Sn and CoSn phases is also confirmed,and a faceted to non-faceted transition in their morphologies is observed with increasing growth velocities.Further analysis shows that the dendritic morphology is formed in the solidified phases whose solubility range is larger during peritectic solidification.展开更多
Zintl phase compounds AM2Sb2 （A=Ca, Sr, Ba, Eu, Yb;M=Zn, Cd） is a new class of promising thermoelectrics owing to their intrinsic features in electronic and crystal structure, such as a small or even disappeared ban...Zintl phase compounds AM2Sb2 （A=Ca, Sr, Ba, Eu, Yb;M=Zn, Cd） is a new class of promising thermoelectrics owing to their intrinsic features in electronic and crystal structure, such as a small or even disappeared band-gap, large density-of-states at the Fermi level, covalently bonded network of M-Sb, as well as the layered stacking by cations A2＋and anionic slabs （M2Sb2）2-. In addi-tion, the rich solid-state chemistry of Zintl phase allows structural modification and chemical substitution to adjust the fundamental transport parameters （carrier concentration, mobility, effective mass, electronic and lattice thermal conductivity） for improving the thermoelectric performance. In the present review, the recent advances in synthesis and thermoelectric characterization of title com-pounds AM2Sb2 were presented, and the effects of alloying or substitution for sites A, M and Sb on the electrical and thermal trans-port were emphasized. The structural disorder yielded by the incorporation of multiple ions significantly increased the thermoelectric figure of merit mainly resulted from the reduction of thermal conductivity without disrupting the carrier transport region in substance. Therefore, alloying or substitution has been a feasible and common route utilized to enhance thermoelectric properties in these Zintl phase compounds, especially for YbZn0.4Cd1.6Sb2 （ZT700 K=1.26）, EuZn1.8Cd0.2Sb2 （ZT650 K=1.06）, and YbCd1.85Mn0.15Sb2 （ZT650 K=1.14）.展开更多
The unit cell volume and phase transition temperature of LaFe11.4Al1.6Cx compounds have been studied. The magnetic entropy change, refrigerant capacity and the type of magnetic phase transition are investigated in det...The unit cell volume and phase transition temperature of LaFe11.4Al1.6Cx compounds have been studied. The magnetic entropy change, refrigerant capacity and the type of magnetic phase transition are investigated in detail for LaFe11.4Al1.6Cx with x=0.1, All the LaFe11.4Al1.6Cx （x=0-0.8） compounds have the cubic NaZn13-type structure. The addition of carbon atoms brings about a considerable increase in the lattice parameter. The bulk expansion results in the change of phase transition temperature （Tc）, Tc increases from 187K to 269 K with x varying from 0.1 to 0.8, Meanwhile an increase in the lattice parameter can also cause a change of the magnetic ground state from antiferromagnetic to ferromagnetic. Large magnetic entropy change IASI is found over a large temperature range around Tc and the refrigerant capacity is about 322J/kg for LaFe11.4Al1.6C0.1. The magnetic phase transition belongs in weakly first-order one for x=0.1.展开更多
The phase and microstructure properties of laser cladding single phase NiAl coating at elevated temperature of 800 °C were investigated by means of XRD,SEM,and HRTEM.It was found that Ni3Al phase with a fine equi...The phase and microstructure properties of laser cladding single phase NiAl coating at elevated temperature of 800 °C were investigated by means of XRD,SEM,and HRTEM.It was found that Ni3Al phase with a fine equiaxial microstructure precipitated along NiAl grain boundaries via the solid-state diffusion of Ni atoms during heating process.NiAl and Ni3Al phases have a common<110>zone axis.The phase and microstructure evolutions of NiAl during heating process can acquire well understand the diffusion behavior of laser cladding NiAl intermetallic compound coating and provide better guidance on its production and practical use.展开更多
In this work, solid-phase microextraction coupled with gas chromatography–mass spectrometry was developed to determine trace levels of nitrobenzene compounds in water and soil samples. Graphene was chosen as the extr...In this work, solid-phase microextraction coupled with gas chromatography–mass spectrometry was developed to determine trace levels of nitrobenzene compounds in water and soil samples. Graphene was chosen as the extraction material and its composite was coated on a stainless steel wire through sol–gel technique for the solid phase microextraction. The key parameters influencing the extraction efficiency were optimized. Under the optimal conditions, the linearity for the compounds was observed in the range of 0.02–15.0 mg/L for water samples, and 0.2–60.0 mg/kg for soil samples, with the correlation coefficients（r） of 0.9966–0.9987. The limits of detection of the method were 0.0025–0.005 mg/L for water samples, and 0.02–0.04 mg/kg for soil samples. The recoveries for the spiked samples were in the range of 72.0%–113.2%, and the precision, expressed as the relative standard deviations, was less than 12.1%.展开更多
The magnetic properties and the phase Transformation of Tb1-xPrx Fe1.96（x = 0 to 0.7） compounds were studied by means of vibrating sample magnetometer（VSM）, X-ray diffraction（XRD） and SEM back-scattered electron...The magnetic properties and the phase Transformation of Tb1-xPrx Fe1.96（x = 0 to 0.7） compounds were studied by means of vibrating sample magnetometer（VSM）, X-ray diffraction（XRD） and SEM back-scattered electron （BSE）. The result indicates that the saturation magnetization σs of compounds along an easy axis decreases with the addition of Pr contents, which reduces from 77.24 Am^2·kg^-1（x =0） to 11.84 Am^2·kg^-1（x =0.5） and then returns to 37.14 Am2·kg^-1 （ x = 0.7）. The non-cubic phases appear when x exceeds 0.2, and the matrix of Tb1-xPrxFe1.96 compounds changes from （Tb, Pr）Fe2 phase with x = 0 to （Tb, Pr）Fe3 phase with x = 0.4, and at last to （Tb, Pr）2Fe17 phase in Tb0.3Pr0.7Fe1.96. Moreover, the structure, of the compounds may become more complex with the increase of Pr content.展开更多
Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutec...Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutectic and involving a compound phase diagram and so on.Using these formulae heats of fusion of some rare earth ox- ides have been predicted.展开更多
The microstructure of the single hot extruded and annealed Ni50Al20Fe30Y0.003 intermetallic compound alloys has been examined by means of high resolution electron microscopy (HREM). In these extruded and annealed allo...The microstructure of the single hot extruded and annealed Ni50Al20Fe30Y0.003 intermetallic compound alloys has been examined by means of high resolution electron microscopy (HREM). In these extruded and annealed alloys. the ductile phase is of a mixture of the disordered fcc γ matrix and or dered γ' precipitates. This fact well interprets the reason why the degree of annealing treatment can influence the strength and ductility of these alloys. The HREM observation revealed directly that there was some strain concentration at γ'-γ interfaces, due to the presence of more iron atoms in these two phases. The fixed orientation relationship between the γ phase and γ' precipitates was identified to be {001}γ||{00 }γ' and <100 >γ|| < 100 > γ'展开更多
First-principles have been calculated to investigate the phase stabilities of the intermetallic phase of MgAl2 compounds by electronic structures and the charge distribution maps. The first-prin- ciples employed the n...First-principles have been calculated to investigate the phase stabilities of the intermetallic phase of MgAl2 compounds by electronic structures and the charge distribution maps. The first-prin- ciples employed the norm-conserving pseudo potential density functional method. They were calcu- lated both with the Ceperley and Alder data as parameterized by Perdew and Zunger（CA-PZ） of local-density approximation （LDA） and with the Perdew Burke Eruzerh （PBE） form of gradient-corrected approximation （GGA）. A better method was found by comparing results from these two ultrasoft pseudo potentials. The present calculations indicate that LDA is better than GGA compared with references. This work also compared the lattice parameters, cohesive energy, formation enthalpy and electronic structure between theoretical results and experimental measurements （where available ）. The calculations indicate that the unit cell volume get smaller after optimized and cohesive energy and formation enthalpy of C14 structure is the highest. The calculated structures are stable and the stability is aligned as C36 〈 C15 〈 C14.展开更多
Seven chiral compounds were resolved on cellulose tris (3,5-dimethylphenylcarbamate) chiral stationary phase (CDMPC-CSP) using n-hexane/alcohol as mobile phase. Solvent strength and structural characteristics of the c...Seven chiral compounds were resolved on cellulose tris (3,5-dimethylphenylcarbamate) chiral stationary phase (CDMPC-CSP) using n-hexane/alcohol as mobile phase. Solvent strength and structural characteristics of the compounds effecting on the retention and resolution were discussed. Satisfactory separation was obtained.展开更多
In the present work, the elastic constants and derived properties of tetragonal Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW) method. To find ...In the present work, the elastic constants and derived properties of tetragonal Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW) method. To find the criteria required for an accurate calculation, the consequences of increasing the numbers of k-points and plane waves on the convergence of the calculated elastic constants were explored. Once accurate elastic constants were calculated, elastic anisotropies, sound velocities, Debye temperatures, malleability, and other measurable physical properties were determined for the studied systems. The elastic properties suggested metallic bonding with intermediate malleability, between brittle and ductile, for the studied Heusler compounds. To address the effect of off-stoichiometry on the mechanical properties, the virtual crystal approximation (VCA) was used to calculate the elastic constants. The results indicated that an extreme correlation exists between the anisotropy ratio and the stoichiometry of the Heusler compounds, especially in the case of Ni2MnGa. Metastable cubic Ni2MnGa exhibits a very high anisotropy (≈28) and hypothetical cubic Rh2FeSn violates the Born-Huang stability criteria in the L21 structure. The bulk moduli of the investigated tetragonal compounds do not vary much (≈130 ...190 GPa). The averaged values of the other elastic moduli are also rather similar, however, rather large differences are found for the elastic anisotropies of the compounds. These are reflected in very different spatial distributions of Young’s moduli when comparing the different compounds. The slowness surfaces of the compounds also differ considerably even though the average sound velocities are in the same order of magnitude (3.2 ... 3.6 km/s). The results demonstrate the importance of the elastic properties not only for purely tetragonal Heusler compounds but also for phase change materials that exhibit magnetic shape memory or magnetocaloric effects.展开更多
For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quanti...For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quantities as normal melting temperature, surface tension, molar volume and critical molar volume is received on the base of the principle of corresponding states and the energy equipartition theorem. Moreover, the proposed equation allows one to take into account the particularities of one-particle molecular rotation in the plastic crystalline phase.展开更多
A new method to calculate the activity of a stable compound in a binary phase diagram was presented and discussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium const...A new method to calculate the activity of a stable compound in a binary phase diagram was presented and discussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium constant can be calculated through the mass action principle after the activities of two pure components were computed respectively. Based on that, the activity of a stable compound can be easily obtained at last. The activity of the stable compound InSb is calculated in the In-Sb binary system by using this method. The result is well consistent with another calculation value.展开更多
The reactions of tri-2-benzofuranylborane or aminoethyl di-2-thienylborinate and 2-thienylphenylborinate with dichlorocarbene generated in situ from chloroform under phase transfer conditions were explored as a new ro...The reactions of tri-2-benzofuranylborane or aminoethyl di-2-thienylborinate and 2-thienylphenylborinate with dichlorocarbene generated in situ from chloroform under phase transfer conditions were explored as a new route for the preparation of heteroaromatic ketones. It was found that a good yield of the ketones can be obtained by solid-liquid system.展开更多
The gas chromatographic separations of aromatic compounds using special mixed stationary phases consisting of pp-beta-CD+AgNO3, pp-beta-CD+TINO3, pp-beta-CD+di-n-butly phthalate, pp-beta-CD+BPBHpB liquid crystalline, ...The gas chromatographic separations of aromatic compounds using special mixed stationary phases consisting of pp-beta-CD+AgNO3, pp-beta-CD+TINO3, pp-beta-CD+di-n-butly phthalate, pp-beta-CD+BPBHpB liquid crystalline, and bentone-34+AgNO3 were investigated. Besides pp-beta-CD+di-n-butyl phthalate, most of the separations deviated from the additivity and a synergistic effect was observed. The separation effects depend on the temperature and how mixing is accomplished.展开更多
Based on cluster variation method (CVM) and natural iteration method (MM),order-disorder phase transition in the intercalation compounds M_(1/2)TiS_2 is simulated bycomputer. The favorable conditions, under which 3^(1...Based on cluster variation method (CVM) and natural iteration method (MM),order-disorder phase transition in the intercalation compounds M_(1/2)TiS_2 is simulated bycomputer. The favorable conditions, under which 3^(1/2)a_0 x a_0 superstructure is formed, aregiven, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.展开更多
2,4,6-trichlorophenol molecularly imprinted suspension polymer has been prepared and applied to the molecularly imprinted micro-solid-phase extraction procedure for selective preconcentration of phenolic compounds fro...2,4,6-trichlorophenol molecularly imprinted suspension polymer has been prepared and applied to the molecularly imprinted micro-solid-phase extraction procedure for selective preconcentration of phenolic compounds from environmental water samples. The influence of functional monomer, cross-linker, polymerization condition, porogen, and the ratio of template molecule and functional monomer to cross-linker on the size of the obtained particles were investigated. It was found that methyacrylic acid as functional monomer, divinylbenzene as cross-linker, the molar ratio of template molecule and functional monomer to cross-linker was 1:4:20, the amount of AIBN was 100 mg, ultraviolet radiation at 365 nm were the optimal conditions, and at these conditions, the polymers had the best adsorption efficiency and had the monodispersity of 2 - 3 μm microsphere particles. The characteristics of the MIMSPE method were valid by high performance liquid chromatography. This MIMSPE-HPLC method has been successfully applied to the direct preconcentration and determination of phenolic compounds (phenol, 4-chlorophenol, 2,4-dichlorophenol, 2,4,6-trichlorophenol, pentachlorophenol) in environmental water samples.展开更多
In this study,Al-30W(wt.%)alloy powder was prepared by Aluminothermic reduction and hightemperature gas atomization.We then studied the phase composition,surface morphology,spatial phase structure,and thermal oxidatio...In this study,Al-30W(wt.%)alloy powder was prepared by Aluminothermic reduction and hightemperature gas atomization.We then studied the phase composition,surface morphology,spatial phase structure,and thermal oxidation process using XRD,SEM/EDS,TEM,DSC,and DTA/TG analysis.The results showed that the Al-30W alloy powder exhibited high sphericity,and the interior presented a special spatial phase structure in which the Al/W amorphous alloy phase and the metastable Al/W intermetallic compound phase were distributed in the pure Al matrix.When the Al-30W alloy powder was stabilized in a vacuum tube furnace,the spatial phase structure of the alloy powder changed,and a small amount of pure Al was embedded in the Al_(12)W matrix.The resulting Al-30W alloy powder products,treated in air at different temperatures,were collected in situ and characterized.The results presented that with an increase in temperature,the types and morphologies of the Al/W intermetallic compounds in the Al-30W alloy powder changed.Furthermore,the Al-30W alloy powder began to undergo intense oxidation reactions at about 900℃,accompanied by a concentrated energy release and rapid weight gain.The volatilization of WO_(3)produced in the oxidation process promoted the complete oxidation of the Al-30W alloy powder,and the Al-30W alloy powder was completely oxidized at 1300℃.At this stage,all W atoms were transformed into gaseous WO_(3),and only a large number of small Al_(2)O_(3)fragments remained in the oxidation product.Thus,the Al-30W alloy powder exhibited excellent thermal reactivity and oxidation integrity,and may offer excellent application prospects in the field of energetic materials.展开更多
Polycrystalline samples of Zintl phase EuCd2-xMnxSb2 （0.05≤x≤0.6） with the CaAl2Si2-type crystal structure （space group P3ml） were synthesized via a solid-state reaction followed by suitable cooling, annealing a...Polycrystalline samples of Zintl phase EuCd2-xMnxSb2 （0.05≤x≤0.6） with the CaAl2Si2-type crystal structure （space group P3ml） were synthesized via a solid-state reaction followed by suitable cooling, annealing and spark plasma sintering （SPS） processes. In samples with x=0.0, 0.1, 0.2, 0.4 and 0.6, the electrical conductivity, Seebeck coefficient, and thermal conductivity were performed as a function of temperature from 300 to 650 K. It was found that chemical substitution of Mn failed to optimize the thermoelectric properties of p-type conductive EuCd2Sb2. It was because that the Mn substitution induced the minority carriers （electrons）, resulting in decreasing the electrical conductivity drastically despite the fact that it enlarged the Seebeck coefficient and reduced the thermal conductivity synchronously.展开更多
基金the support of the National Natural Science Foundation of China (Grant No. 51871118)the Fast Support Project (Grant No. JZX7Y20210162400301)the fund of State Key Laboratory of Special Rare Metal Materials (Grant No. SKL2020K003)
文摘The morphologies of intermetallic phases(IMCs)during directional solidification of the Sn-Cu(L+Cu_(3)Sn→Cu_(6)Sn_(5))and Sn-Co(L+CoSn→CoSn_(2))peritectic systems were analyzed.The primary Cu_(3)Sn and peritectic Cu_(6)Sn_(5)phases in Sn-Cu alloy are IMCs whose solubility ranges are narrow,while both the primary CoSn and peritectic CoSn_(2)phases in Sn-Co alloy are IMCs whose solubility ranges are nil in equilibrium condition.The experimental results before acid corrosion shows that the dendritic morphology of both the Cu_(6)Sn_(5)and CoSn_(2)phases can be observed.The investigation on the local dendritic morphology after deep acid corrosion shows that these dendrites are composed of small sub-structures with faceted feature.Faceted growth of the primary Cu_(3)Sn and CoSn phases is also confirmed,and a faceted to non-faceted transition in their morphologies is observed with increasing growth velocities.Further analysis shows that the dendritic morphology is formed in the solidified phases whose solubility range is larger during peritectic solidification.
基金supported by National Basic Research Program of China(2007CB607503)National Natural Science Foundation of China(50821004,10979069)
文摘Zintl phase compounds AM2Sb2 （A=Ca, Sr, Ba, Eu, Yb;M=Zn, Cd） is a new class of promising thermoelectrics owing to their intrinsic features in electronic and crystal structure, such as a small or even disappeared band-gap, large density-of-states at the Fermi level, covalently bonded network of M-Sb, as well as the layered stacking by cations A2＋and anionic slabs （M2Sb2）2-. In addi-tion, the rich solid-state chemistry of Zintl phase allows structural modification and chemical substitution to adjust the fundamental transport parameters （carrier concentration, mobility, effective mass, electronic and lattice thermal conductivity） for improving the thermoelectric performance. In the present review, the recent advances in synthesis and thermoelectric characterization of title com-pounds AM2Sb2 were presented, and the effects of alloying or substitution for sites A, M and Sb on the electrical and thermal trans-port were emphasized. The structural disorder yielded by the incorporation of multiple ions significantly increased the thermoelectric figure of merit mainly resulted from the reduction of thermal conductivity without disrupting the carrier transport region in substance. Therefore, alloying or substitution has been a feasible and common route utilized to enhance thermoelectric properties in these Zintl phase compounds, especially for YbZn0.4Cd1.6Sb2 （ZT700 K=1.26）, EuZn1.8Cd0.2Sb2 （ZT650 K=1.06）, and YbCd1.85Mn0.15Sb2 （ZT650 K=1.14）.
基金Project supported by the State Key Program of Basic Research of China （Grant No 2006CB601101）, and the National Natural Science Foundation of China （ Grant No 50271082）.
文摘The unit cell volume and phase transition temperature of LaFe11.4Al1.6Cx compounds have been studied. The magnetic entropy change, refrigerant capacity and the type of magnetic phase transition are investigated in detail for LaFe11.4Al1.6Cx with x=0.1, All the LaFe11.4Al1.6Cx （x=0-0.8） compounds have the cubic NaZn13-type structure. The addition of carbon atoms brings about a considerable increase in the lattice parameter. The bulk expansion results in the change of phase transition temperature （Tc）, Tc increases from 187K to 269 K with x varying from 0.1 to 0.8, Meanwhile an increase in the lattice parameter can also cause a change of the magnetic ground state from antiferromagnetic to ferromagnetic. Large magnetic entropy change IASI is found over a large temperature range around Tc and the refrigerant capacity is about 322J/kg for LaFe11.4Al1.6C0.1. The magnetic phase transition belongs in weakly first-order one for x=0.1.
基金National Natural Science Foundation of China(Grant Nos.50705094,51045004)Innovative Group Foundation from NSFC(Grant No 50421502)National 973 Project(2007 CB607601)
文摘The phase and microstructure properties of laser cladding single phase NiAl coating at elevated temperature of 800 °C were investigated by means of XRD,SEM,and HRTEM.It was found that Ni3Al phase with a fine equiaxial microstructure precipitated along NiAl grain boundaries via the solid-state diffusion of Ni atoms during heating process.NiAl and Ni3Al phases have a common<110>zone axis.The phase and microstructure evolutions of NiAl during heating process can acquire well understand the diffusion behavior of laser cladding NiAl intermetallic compound coating and provide better guidance on its production and practical use.
基金Financial support from the National Natural Science Foundation of China(No.31171698)the Innovation Research Group Program of Department of Education of Hebei for Hebei Provincial Universities(No.LJRC009)the Natural Science Foundation of Hebei Province(No.B2012204028)
文摘In this work, solid-phase microextraction coupled with gas chromatography–mass spectrometry was developed to determine trace levels of nitrobenzene compounds in water and soil samples. Graphene was chosen as the extraction material and its composite was coated on a stainless steel wire through sol–gel technique for the solid phase microextraction. The key parameters influencing the extraction efficiency were optimized. Under the optimal conditions, the linearity for the compounds was observed in the range of 0.02–15.0 mg/L for water samples, and 0.2–60.0 mg/kg for soil samples, with the correlation coefficients（r） of 0.9966–0.9987. The limits of detection of the method were 0.0025–0.005 mg/L for water samples, and 0.02–0.04 mg/kg for soil samples. The recoveries for the spiked samples were in the range of 72.0%–113.2%, and the precision, expressed as the relative standard deviations, was less than 12.1%.
文摘The magnetic properties and the phase Transformation of Tb1-xPrx Fe1.96（x = 0 to 0.7） compounds were studied by means of vibrating sample magnetometer（VSM）, X-ray diffraction（XRD） and SEM back-scattered electron （BSE）. The result indicates that the saturation magnetization σs of compounds along an easy axis decreases with the addition of Pr contents, which reduces from 77.24 Am^2·kg^-1（x =0） to 11.84 Am^2·kg^-1（x =0.5） and then returns to 37.14 Am2·kg^-1 （ x = 0.7）. The non-cubic phases appear when x exceeds 0.2, and the matrix of Tb1-xPrxFe1.96 compounds changes from （Tb, Pr）Fe2 phase with x = 0 to （Tb, Pr）Fe3 phase with x = 0.4, and at last to （Tb, Pr）2Fe17 phase in Tb0.3Pr0.7Fe1.96. Moreover, the structure, of the compounds may become more complex with the increase of Pr content.
文摘Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutectic and involving a compound phase diagram and so on.Using these formulae heats of fusion of some rare earth ox- ides have been predicted.
文摘The microstructure of the single hot extruded and annealed Ni50Al20Fe30Y0.003 intermetallic compound alloys has been examined by means of high resolution electron microscopy (HREM). In these extruded and annealed alloys. the ductile phase is of a mixture of the disordered fcc γ matrix and or dered γ' precipitates. This fact well interprets the reason why the degree of annealing treatment can influence the strength and ductility of these alloys. The HREM observation revealed directly that there was some strain concentration at γ'-γ interfaces, due to the presence of more iron atoms in these two phases. The fixed orientation relationship between the γ phase and γ' precipitates was identified to be {001}γ||{00 }γ' and <100 >γ|| < 100 > γ'
基金Supported by the Natural Science Foundation of China(50874054)the Natural Science Joint Foundation of China(u0837601)the Natural Science Foundation of Yunnan Province of China(2009CD134)
文摘First-principles have been calculated to investigate the phase stabilities of the intermetallic phase of MgAl2 compounds by electronic structures and the charge distribution maps. The first-prin- ciples employed the norm-conserving pseudo potential density functional method. They were calcu- lated both with the Ceperley and Alder data as parameterized by Perdew and Zunger（CA-PZ） of local-density approximation （LDA） and with the Perdew Burke Eruzerh （PBE） form of gradient-corrected approximation （GGA）. A better method was found by comparing results from these two ultrasoft pseudo potentials. The present calculations indicate that LDA is better than GGA compared with references. This work also compared the lattice parameters, cohesive energy, formation enthalpy and electronic structure between theoretical results and experimental measurements （where available ）. The calculations indicate that the unit cell volume get smaller after optimized and cohesive energy and formation enthalpy of C14 structure is the highest. The calculated structures are stable and the stability is aligned as C36 〈 C15 〈 C14.
文摘Seven chiral compounds were resolved on cellulose tris (3,5-dimethylphenylcarbamate) chiral stationary phase (CDMPC-CSP) using n-hexane/alcohol as mobile phase. Solvent strength and structural characteristics of the compounds effecting on the retention and resolution were discussed. Satisfactory separation was obtained.
文摘In the present work, the elastic constants and derived properties of tetragonal Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW) method. To find the criteria required for an accurate calculation, the consequences of increasing the numbers of k-points and plane waves on the convergence of the calculated elastic constants were explored. Once accurate elastic constants were calculated, elastic anisotropies, sound velocities, Debye temperatures, malleability, and other measurable physical properties were determined for the studied systems. The elastic properties suggested metallic bonding with intermediate malleability, between brittle and ductile, for the studied Heusler compounds. To address the effect of off-stoichiometry on the mechanical properties, the virtual crystal approximation (VCA) was used to calculate the elastic constants. The results indicated that an extreme correlation exists between the anisotropy ratio and the stoichiometry of the Heusler compounds, especially in the case of Ni2MnGa. Metastable cubic Ni2MnGa exhibits a very high anisotropy (≈28) and hypothetical cubic Rh2FeSn violates the Born-Huang stability criteria in the L21 structure. The bulk moduli of the investigated tetragonal compounds do not vary much (≈130 ...190 GPa). The averaged values of the other elastic moduli are also rather similar, however, rather large differences are found for the elastic anisotropies of the compounds. These are reflected in very different spatial distributions of Young’s moduli when comparing the different compounds. The slowness surfaces of the compounds also differ considerably even though the average sound velocities are in the same order of magnitude (3.2 ... 3.6 km/s). The results demonstrate the importance of the elastic properties not only for purely tetragonal Heusler compounds but also for phase change materials that exhibit magnetic shape memory or magnetocaloric effects.
文摘For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quantities as normal melting temperature, surface tension, molar volume and critical molar volume is received on the base of the principle of corresponding states and the energy equipartition theorem. Moreover, the proposed equation allows one to take into account the particularities of one-particle molecular rotation in the plastic crystalline phase.
基金This work is financially supported by the National Natural Science Foundation of China (No. 50074036).
文摘A new method to calculate the activity of a stable compound in a binary phase diagram was presented and discussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium constant can be calculated through the mass action principle after the activities of two pure components were computed respectively. Based on that, the activity of a stable compound can be easily obtained at last. The activity of the stable compound InSb is calculated in the In-Sb binary system by using this method. The result is well consistent with another calculation value.
文摘The reactions of tri-2-benzofuranylborane or aminoethyl di-2-thienylborinate and 2-thienylphenylborinate with dichlorocarbene generated in situ from chloroform under phase transfer conditions were explored as a new route for the preparation of heteroaromatic ketones. It was found that a good yield of the ketones can be obtained by solid-liquid system.
文摘The gas chromatographic separations of aromatic compounds using special mixed stationary phases consisting of pp-beta-CD+AgNO3, pp-beta-CD+TINO3, pp-beta-CD+di-n-butly phthalate, pp-beta-CD+BPBHpB liquid crystalline, and bentone-34+AgNO3 were investigated. Besides pp-beta-CD+di-n-butyl phthalate, most of the separations deviated from the additivity and a synergistic effect was observed. The separation effects depend on the temperature and how mixing is accomplished.
基金This work was supported by the Foundation of Civil Aviation University of China (No. 2001-3-18).
文摘Based on cluster variation method (CVM) and natural iteration method (MM),order-disorder phase transition in the intercalation compounds M_(1/2)TiS_2 is simulated bycomputer. The favorable conditions, under which 3^(1/2)a_0 x a_0 superstructure is formed, aregiven, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.
文摘2,4,6-trichlorophenol molecularly imprinted suspension polymer has been prepared and applied to the molecularly imprinted micro-solid-phase extraction procedure for selective preconcentration of phenolic compounds from environmental water samples. The influence of functional monomer, cross-linker, polymerization condition, porogen, and the ratio of template molecule and functional monomer to cross-linker on the size of the obtained particles were investigated. It was found that methyacrylic acid as functional monomer, divinylbenzene as cross-linker, the molar ratio of template molecule and functional monomer to cross-linker was 1:4:20, the amount of AIBN was 100 mg, ultraviolet radiation at 365 nm were the optimal conditions, and at these conditions, the polymers had the best adsorption efficiency and had the monodispersity of 2 - 3 μm microsphere particles. The characteristics of the MIMSPE method were valid by high performance liquid chromatography. This MIMSPE-HPLC method has been successfully applied to the direct preconcentration and determination of phenolic compounds (phenol, 4-chlorophenol, 2,4-dichlorophenol, 2,4,6-trichlorophenol, pentachlorophenol) in environmental water samples.
基金supported by the National Natural Science Foundation of China(No.51871106).We express our grat-itude for analyzing and testing of Huazhong University of Science and Technology Analytical&Testing Center.
文摘In this study,Al-30W(wt.%)alloy powder was prepared by Aluminothermic reduction and hightemperature gas atomization.We then studied the phase composition,surface morphology,spatial phase structure,and thermal oxidation process using XRD,SEM/EDS,TEM,DSC,and DTA/TG analysis.The results showed that the Al-30W alloy powder exhibited high sphericity,and the interior presented a special spatial phase structure in which the Al/W amorphous alloy phase and the metastable Al/W intermetallic compound phase were distributed in the pure Al matrix.When the Al-30W alloy powder was stabilized in a vacuum tube furnace,the spatial phase structure of the alloy powder changed,and a small amount of pure Al was embedded in the Al_(12)W matrix.The resulting Al-30W alloy powder products,treated in air at different temperatures,were collected in situ and characterized.The results presented that with an increase in temperature,the types and morphologies of the Al/W intermetallic compounds in the Al-30W alloy powder changed.Furthermore,the Al-30W alloy powder began to undergo intense oxidation reactions at about 900℃,accompanied by a concentrated energy release and rapid weight gain.The volatilization of WO_(3)produced in the oxidation process promoted the complete oxidation of the Al-30W alloy powder,and the Al-30W alloy powder was completely oxidized at 1300℃.At this stage,all W atoms were transformed into gaseous WO_(3),and only a large number of small Al_(2)O_(3)fragments remained in the oxidation product.Thus,the Al-30W alloy powder exhibited excellent thermal reactivity and oxidation integrity,and may offer excellent application prospects in the field of energetic materials.
基金Project supported by Young Eastern Scholar Project of Shanghai Municipal Education Commission(QD2015031)
文摘Polycrystalline samples of Zintl phase EuCd2-xMnxSb2 （0.05≤x≤0.6） with the CaAl2Si2-type crystal structure （space group P3ml） were synthesized via a solid-state reaction followed by suitable cooling, annealing and spark plasma sintering （SPS） processes. In samples with x=0.0, 0.1, 0.2, 0.4 and 0.6, the electrical conductivity, Seebeck coefficient, and thermal conductivity were performed as a function of temperature from 300 to 650 K. It was found that chemical substitution of Mn failed to optimize the thermoelectric properties of p-type conductive EuCd2Sb2. It was because that the Mn substitution induced the minority carriers （electrons）, resulting in decreasing the electrical conductivity drastically despite the fact that it enlarged the Seebeck coefficient and reduced the thermal conductivity synchronously.
