Three different kinds of PELE(the penetrator with lateral efficiency) were launched by ballistic artillery to impact the multi-layer spaced metal target plates.The lmpact velocities of the projectiles were measured by...Three different kinds of PELE(the penetrator with lateral efficiency) were launched by ballistic artillery to impact the multi-layer spaced metal target plates.The lmpact velocities of the projectiles were measured by the velocity measuring system.The damage degree and process of each laye r of target plate impacted by the three kinds of projectiles were analyzed.The experimental results show that all the three kinds of projectiles have the effect of expanding holes on the multi-layer spaced metal target plates.For the normal structure PELE(without layered) with tungsten alloy jacket and the radial layered PELE with tungsten alloy jacket,the diameters of holes on the seco nd layer of plates are 3.36 times and 3.76 times of the diameter of the projectile,re spectively.For radial layered PELE with W/Zr-based amorphous composite jacket,due to the large number of tungsten wires dispersed after the impact,the diameter of the holes on the four-layer spaced plates can reach 2.4 times,3.04 times,5.36 times and 2.68 times of the diameter of the projectile.Besides,the normal structure PELE with tungsten alloy jacket and the radial layered PELE whit tungsten alloy jacket formed a large number of fragments impact marks on the third target plate.Although the number of fragments penetrating the third target plate is not as large as that of the normal structure PELE,the area of dispersion of fragments impact craters on the third target plate is larger by the radial layered PELE.The radial layered PELE with W/Zr-based amorphous composite jacket released a lot of heat energy due to the impact of the matrix material,and formed a large area of ablation marks on the last three target plates.展开更多
In this paper,we report the study of the process of fabricating a multi-layermetal micro-structure using UV-LIGA overlay technology,includingmask fabrication,substrate treatment,and UV-LIGA overlay processes.To solve ...In this paper,we report the study of the process of fabricating a multi-layermetal micro-structure using UV-LIGA overlay technology,includingmask fabrication,substrate treatment,and UV-LIGA overlay processes.To solve the process problems in the masking procedure,the swelling problemof the first layer of SU-8 thick photoresist was studied experimentally.The 5μmline-width compensation and closed 20μmand 30μmisolation strips were designed and fabricated around the micro-structure pattern.The pore problemin the Ni micro-electroforming layer was analyzed and the electroforming parameters were improved.The pH value of the electroforming solution should be controlled between 3.8 and 4.4 and the current density should be below 3 A/dm^2.To solve the problems of high inner stress and incomplete development of the micro-cylinder hole array with a diameter of 30μm,the lithography process was optimized.The pre-baking temperature was increased via gradient heating and rose every 5℃ from 65℃ to 85℃ and then remained at 85℃ for 50 min–1 h.In addition,the full contact exposure was used.Finally,a multi-layer metal micro-structure with high precision and good quality of microelectroforming layer was fabricated using UV-LIGA overlay technology.展开更多
We present a design method for calculating and optimizing sound absorption coefficient of multi-layered porous fibrous metals (PFM) in the low frequency range. PFM is simplified as an equivalent idealized sheet with...We present a design method for calculating and optimizing sound absorption coefficient of multi-layered porous fibrous metals (PFM) in the low frequency range. PFM is simplified as an equivalent idealized sheet with all metallic fibers aligned in one direction and distributed in periodic hexagonal patterns. We use a phenomenological model in the literature to investigate the effects of pore geometrical parameters (fiber diameter and gap) on sound absorption performance. The sound absorption coefficient of multi- layered PFMs is calculated using impedance translation theorem, To demonstrate the validity of the present model, we compare the predicted results with the experimental data. With the average sound absorption (low frequency range) as the objective function and the fiber gaps as the design variables, an optimization method for multi-layered fibrous metals is proposed. A new fibrous layout with given porosity of multi-layered fibrous metals is suggested to achieve optimal low frequency sound absorption. The sound absorption coefficient of the optimal multi-layered fibrous metal is higher than the single- layered fibrous metal, and a significant effect of the fibrous material on sound absorption is found due to the surface Dorosity of the multi-layered fibrous.展开更多
This paper, probing into heavy metal control in domestic rubbish by source screening and nutrient element analysis, revealed the feasibility of source control of heavy metals and the suitability of rubbish as turfgras...This paper, probing into heavy metal control in domestic rubbish by source screening and nutrient element analysis, revealed the feasibility of source control of heavy metals and the suitability of rubbish as turfgrass medium. Heavy metals in domestic rubbish were controlled by source screening before composting. The study consisted of a control with garden soil. The contents of main mineral elements and heavy metals in rubbish compost and control were determined by the method of ICP-AES. The results showed that heavy metal concentrations in rubbish were lower than those in garden soil, and little difference occurred between rubbish and garden soil in main mineral element concentrations. Based on this, it was concluded that rubbish compost was favorable for using as turfgrass medium and heavy metal control in rubbish by source screening was effective.展开更多
Laser multi\|layer cladding experiments were performed on the substrate of DD3 single crystal with FGH95 powder as cladding material.The solidification microstructure in the sample was investigated.It was found that t...Laser multi\|layer cladding experiments were performed on the substrate of DD3 single crystal with FGH95 powder as cladding material.The solidification microstructure in the sample was investigated.It was found that the solidification microstructure was greatly influenced by the crystallography orientation of the substrate and the local solidification conditions.When the angle between the preferred orientation of the single crystal and the direction of heat flow in the cladding layer is less than 30°,single crystal cladding layers were acquired.Otherwise the crystallography orientation of the cladding layer will deviate from the orientation of the substrate and the microstructure with polycrystalline appears.Meanwhile,even when the experiments were performed on the same preferred crystal surface,the solidification microstructures will be different distinctly resulting from the variation of the local solidification conditions.The secondary arms were degenerated and the primary arm spacing was about 10\|20μm.Further investigation shows that the phases of the cladding layer are mainly made up ofγ,γ′,the flower\|likeγ/γ′eutectic and carbide.The morphology ofγ′was cubical and the size is less than 0.1μm.展开更多
A new gas clean-up process called 'integrated sintered metal screen moving granular bed' (ISMSMGB) for the integrated gasification combined cycle (IGCC) and pressured fluidized bed combustion (PFBC) was develo...A new gas clean-up process called 'integrated sintered metal screen moving granular bed' (ISMSMGB) for the integrated gasification combined cycle (IGCC) and pressured fluidized bed combustion (PFBC) was developed on the basis of a sintered metal candle filter and a cross-flow moving granular bed filter. This is a combination of the surface and deep bed filtering processes. A set of facilities was established and a series of cold model tests were carried out. The dust removal efficiency and the pressure drop of the filter were measured and analyzed. The results show that this process features the advantages of the moving bed for high capacity as well as high inlet dust load and the surface filter for high efficiency. Meanwhile, the granules moving downward cleans the cake on the screen surface, so that the system is operated at steady state.展开更多
Deuterium(D_(2)) is one of the important fuel sources that power nuclear fusion reactors. The existing D_(2)/H_(2) separation technologies that obtain high-purity D_(2) are cost-intensive. Recent research has shown th...Deuterium(D_(2)) is one of the important fuel sources that power nuclear fusion reactors. The existing D_(2)/H_(2) separation technologies that obtain high-purity D_(2) are cost-intensive. Recent research has shown that metal-organic frameworks(MOFs) are of good potential for D_(2)/H_(2) separation application. In this work, a high-throughput computational screening of 12020 computation-ready experimental MOFs is carried out to determine the best MOFs for hydrogen isotope separation application. Meanwhile, the detailed structure-performance correlation is systematically investigated with the aid of machine learning. The results indicate that the ideal D_(2)/H_(2) adsorption selectivity calculated based on Henry coefficient is strongly correlated with the 1/ΔAD feature descriptor;that is, inverse of the adsorbility difference of the two adsorbates. Meanwhile, the machine learning(ML) results show that the prediction accuracy of all the four ML methods is significantly improved after the addition of this feature descriptor. In addition, the ML results based on extreme gradient boosting model also revealed that the 1/ΔAD descriptor has the highest relative importance compared to other commonly-used descriptors. To further explore the effect of hydrogen isotope separation in binary mixture, 1548 MOFs with ideal adsorption selectivity greater than 1.5 are simulated at equimolar conditions. The structure-performance relationship shows that high adsorption selectivity MOFs generally have smaller pore size(0.3-0.5 nm) and lower surface area. Among the top 200 performers, the materials mainly have the sql, pcu, cds, hxl, and ins topologies.Finally, three MOFs with high D_(2)/H_(2) selectivity and good D_(2) uptake are identified as the best candidates,of all which had one-dimensional channel pore. The findings obtained in this work may be helpful for the identification of potentially promising candidates for hydrogen isotope separation.展开更多
In oil drilling processes,sand production in the oil layer is a common issue,generally mitigated by means of sand control screens.To prevent or reduce the risk of damage of these screens and to improve the related ser...In oil drilling processes,sand production in the oil layer is a common issue,generally mitigated by means of sand control screens.To prevent or reduce the risk of damage of these screens and to improve the related service life,it is necessary to investigate the related erosion dynamics.In this study,a screen mesh model based on the flow field similarity theory is proposed to overcome the otherwise too complex geometric structure of this type of equipment.Such model is optimized using experimental data.The predicted results are in good agreement with the measured values,and the error is less than 15%.The results also show that the simplified geometric screen model and the optimized Zhang et al.erosion model have high reliability;therefore,they could effective be used to select underground screen meshes and improve the design of production process.展开更多
Higher order rnultipole potentials and electrostatic screening effects are introduced to incorporate the dan gling bonds on the surface of a metallic nanopaticle and to modify the coulornb like potential energy terms,...Higher order rnultipole potentials and electrostatic screening effects are introduced to incorporate the dan gling bonds on the surface of a metallic nanopaticle and to modify the coulornb like potential energy terms, respectively. The total interaction energy function for any rnetallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terrns are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.展开更多
The catalyst screening tests for carbon dioxide oxidative coupling of methane (CO2-OCM) have been investigated over ternary and binary metal oxide catalysts. The catalysts are prepared by doping MgO- and CeO2-based so...The catalyst screening tests for carbon dioxide oxidative coupling of methane (CO2-OCM) have been investigated over ternary and binary metal oxide catalysts. The catalysts are prepared by doping MgO- and CeO2-based solids with oxides from alkali (Li2O), alkaline earth (CaO), and transition metal groups (WO3 or MnO). The presence of the peroxide (O2-2) active sites on the Li2O2, revealed by Raman spectroscopy, may be the key factor in the enhanced performance of some of the Li2O/MgO catalysts. The high reducibility of the CeO2 catalyst, an important factor in the CO2-OCM catalyst activity, may be enhanced by the presence of manganese oxide species. The manganese oxide species increases oxygen mobility and oxygen vacancies in the CeO2 catalyst. Raman and Fourier Transform Infra Red (FT-IR) spectroscopies revealed the presence of lattice vibrations of metal-oxygen bondings and active sites in which the peaks corresponding to the bulk crystalline structures of Li2O, CaO, WO3 and MnO are detected. The performance of 5%MnO/15%CaO/CeO2 catalyst is the most potential among the CeO2-based catalysts, although lower than the 2%Li2O/MgO catalyst. The 2%Li2O/MgO catalyst showed the most promising C2+ hydrocarbons selectivity and yield at 98.0% and 5.7%, respectively.展开更多
Straight plates, hollow columns, ear-like blade tips, twist plates withdirectional solidification microstructure made of Rene 95 superalloys were successfully fabricatedon Nickel-base superalloy and DD3 substrates, re...Straight plates, hollow columns, ear-like blade tips, twist plates withdirectional solidification microstructure made of Rene 95 superalloys were successfully fabricatedon Nickel-base superalloy and DD3 substrates, respectively. The processing conditions for productionof the parts with corresponding shapes were obtained. The fabrication precision was high and thecomponents were compact. The solidification microstructure of the parts was analyzed by opticalmicroscopy. The results show that the solidification microstructure is composed of columnardendrites, by epitaxial growth onto the directional solidification substrates. The crystallographyorientation of the parts was parallel to that of the substrates. The primary arm spacing was about10 mum, which is in the range of superfine dendrites, and the secondary arm was small or evendegenerated. It is concluded that the laser metal forming technique provides a method to manufacturedirectional solidification components.展开更多
The coordination compounds of PdII, PtII, RhIII and IrIII metal ions with a Schiff base ligand (L) i.e. 2,6- diacetylpyridine bis(thiosemicarbazone) have been synthesized and characterized by elemental analyses, molar...The coordination compounds of PdII, PtII, RhIII and IrIII metal ions with a Schiff base ligand (L) i.e. 2,6- diacetylpyridine bis(thiosemicarbazone) have been synthesized and characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, IR, NMR and electronic spectral studies. On the basis of molar conductance and elemental analyses the complexes were found to have composition [M(L)]Cl2 and [M’(L)Cl]Cl2, where M = Pd(II), Pt(II) and M’ = Rh(III), Ir(III). The spectral studies reveal that the complexes possess monomeric composition. Complexes of PdII and PtII were found to have four coordinated square planar geometry whereas the complexes of RhIII and IrIII posses six coordinated octahedral geometry. The ligand field parameters were calculated using various energy level diagrams. In vitro synthesized compounds and metal salts have been tested against some species of plant pathogenic fungi and bacteria in order to assess their antimicrobial properties.展开更多
The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last decade.Inve...The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last decade.Investigating active,stable,and cost-efficient catalysts is crucial for oxygen evolution reaction owing to the significance in a range of electrochemical energy co nversion processes.In this work,we have demonstrated an efficient approach of high-throughput screening to find stable transition metal oxides under acid condition for high-performance oxygen evolution reaction(OER)catalysts through density functional theory(DFT)calculation and a machine learning algorithm.A methodology utilizing both the Materials Project database and DFT calculations was introduced to assess the acid stability under specific reaction conditions.Building upon this,OER catalytic activity of acid-stable materials was examined,highlighting potential OER catalysts that meet the required properties.We identified IrO_(2),Fe(SbO_(3))_(2),Co(SbO_(3))_(2),Ni(SbO_(3))_(2),FeSbO_(4),Fe(SbO_(3))4,MoWO_(6),TiSnO_(4),CoSbO_(4),and Ti(WO_(4))_(2)as promising catalysts,several of which have already been experimentally discovered for their robust OER performance,while others are novel for experimental exploration,thereby broadening the chemical scope for efficient OER electrocatalysts.Descriptors of the bond length of TM-O and the first ionization energy were used to unveil the OER activity origin.From the calculated results,guidance has been derived to effectively execute advanced high-throughput screenings for the discovery of catalysts with favorable properties.Furthermore,the intrinsic correlation between catalytic performance and various atomic and structural factors was elucidated using the ML algorithm.Through these approaches,we not only streamline the choice of the promising electrocatalysts but also offer insights for the design of varied catalyst models and the discovery of superior catalysts.展开更多
基金supported by National Natural Science Foundation of China(Grant No.11802141)Postgraduate Research&Practice Innovation Program of Jiangsu Province(Grant No.KYCX18_0465)。
文摘Three different kinds of PELE(the penetrator with lateral efficiency) were launched by ballistic artillery to impact the multi-layer spaced metal target plates.The lmpact velocities of the projectiles were measured by the velocity measuring system.The damage degree and process of each laye r of target plate impacted by the three kinds of projectiles were analyzed.The experimental results show that all the three kinds of projectiles have the effect of expanding holes on the multi-layer spaced metal target plates.For the normal structure PELE(without layered) with tungsten alloy jacket and the radial layered PELE with tungsten alloy jacket,the diameters of holes on the seco nd layer of plates are 3.36 times and 3.76 times of the diameter of the projectile,re spectively.For radial layered PELE with W/Zr-based amorphous composite jacket,due to the large number of tungsten wires dispersed after the impact,the diameter of the holes on the four-layer spaced plates can reach 2.4 times,3.04 times,5.36 times and 2.68 times of the diameter of the projectile.Besides,the normal structure PELE with tungsten alloy jacket and the radial layered PELE whit tungsten alloy jacket formed a large number of fragments impact marks on the third target plate.Although the number of fragments penetrating the third target plate is not as large as that of the normal structure PELE,the area of dispersion of fragments impact craters on the third target plate is larger by the radial layered PELE.The radial layered PELE with W/Zr-based amorphous composite jacket released a lot of heat energy due to the impact of the matrix material,and formed a large area of ablation marks on the last three target plates.
文摘In this paper,we report the study of the process of fabricating a multi-layermetal micro-structure using UV-LIGA overlay technology,includingmask fabrication,substrate treatment,and UV-LIGA overlay processes.To solve the process problems in the masking procedure,the swelling problemof the first layer of SU-8 thick photoresist was studied experimentally.The 5μmline-width compensation and closed 20μmand 30μmisolation strips were designed and fabricated around the micro-structure pattern.The pore problemin the Ni micro-electroforming layer was analyzed and the electroforming parameters were improved.The pH value of the electroforming solution should be controlled between 3.8 and 4.4 and the current density should be below 3 A/dm^2.To solve the problems of high inner stress and incomplete development of the micro-cylinder hole array with a diameter of 30μm,the lithography process was optimized.The pre-baking temperature was increased via gradient heating and rose every 5℃ from 65℃ to 85℃ and then remained at 85℃ for 50 min–1 h.In addition,the full contact exposure was used.Finally,a multi-layer metal micro-structure with high precision and good quality of microelectroforming layer was fabricated using UV-LIGA overlay technology.
基金the support of the National Basic Research Program(973 Program)of China(Grant No.2011CB610304)the National Natural Science Foundation of China(Grant Nos.11332004 and 11402046)+2 种基金China Postdoctoral Science Foundation(No.2015M571296)the 111 Project(B14013)the CATIC Industrial Production Projects(Grant No.CXY2013DLLG32)
文摘We present a design method for calculating and optimizing sound absorption coefficient of multi-layered porous fibrous metals (PFM) in the low frequency range. PFM is simplified as an equivalent idealized sheet with all metallic fibers aligned in one direction and distributed in periodic hexagonal patterns. We use a phenomenological model in the literature to investigate the effects of pore geometrical parameters (fiber diameter and gap) on sound absorption performance. The sound absorption coefficient of multi- layered PFMs is calculated using impedance translation theorem, To demonstrate the validity of the present model, we compare the predicted results with the experimental data. With the average sound absorption (low frequency range) as the objective function and the fiber gaps as the design variables, an optimization method for multi-layered fibrous metals is proposed. A new fibrous layout with given porosity of multi-layered fibrous metals is suggested to achieve optimal low frequency sound absorption. The sound absorption coefficient of the optimal multi-layered fibrous metal is higher than the single- layered fibrous metal, and a significant effect of the fibrous material on sound absorption is found due to the surface Dorosity of the multi-layered fibrous.
基金NationalNaturalScienceFoundation (59878033)Tianjin Science and Technology Developm entProgram (043100611).
文摘This paper, probing into heavy metal control in domestic rubbish by source screening and nutrient element analysis, revealed the feasibility of source control of heavy metals and the suitability of rubbish as turfgrass medium. Heavy metals in domestic rubbish were controlled by source screening before composting. The study consisted of a control with garden soil. The contents of main mineral elements and heavy metals in rubbish compost and control were determined by the method of ICP-AES. The results showed that heavy metal concentrations in rubbish were lower than those in garden soil, and little difference occurred between rubbish and garden soil in main mineral element concentrations. Based on this, it was concluded that rubbish compost was favorable for using as turfgrass medium and heavy metal control in rubbish by source screening was effective.
基金National Key Basic Research Development Program me of china(No.G2000067205-3)
文摘Laser multi\|layer cladding experiments were performed on the substrate of DD3 single crystal with FGH95 powder as cladding material.The solidification microstructure in the sample was investigated.It was found that the solidification microstructure was greatly influenced by the crystallography orientation of the substrate and the local solidification conditions.When the angle between the preferred orientation of the single crystal and the direction of heat flow in the cladding layer is less than 30°,single crystal cladding layers were acquired.Otherwise the crystallography orientation of the cladding layer will deviate from the orientation of the substrate and the microstructure with polycrystalline appears.Meanwhile,even when the experiments were performed on the same preferred crystal surface,the solidification microstructures will be different distinctly resulting from the variation of the local solidification conditions.The secondary arms were degenerated and the primary arm spacing was about 10\|20μm.Further investigation shows that the phases of the cladding layer are mainly made up ofγ,γ′,the flower\|likeγ/γ′eutectic and carbide.The morphology ofγ′was cubical and the size is less than 0.1μm.
基金Chinese Special Funds for Major State Basic Research Projects 973 (No. G1999022104).
文摘A new gas clean-up process called 'integrated sintered metal screen moving granular bed' (ISMSMGB) for the integrated gasification combined cycle (IGCC) and pressured fluidized bed combustion (PFBC) was developed on the basis of a sintered metal candle filter and a cross-flow moving granular bed filter. This is a combination of the surface and deep bed filtering processes. A set of facilities was established and a series of cold model tests were carried out. The dust removal efficiency and the pressure drop of the filter were measured and analyzed. The results show that this process features the advantages of the moving bed for high capacity as well as high inlet dust load and the surface filter for high efficiency. Meanwhile, the granules moving downward cleans the cake on the screen surface, so that the system is operated at steady state.
基金supported by the National Natural Science Foundation of China (22078004)the Research Development Fund from Xi’an Jiaotong-Liverpool University (RDF-16-02-03 and RDF15-01-23)key program special fund (KSF-E-03)。
文摘Deuterium(D_(2)) is one of the important fuel sources that power nuclear fusion reactors. The existing D_(2)/H_(2) separation technologies that obtain high-purity D_(2) are cost-intensive. Recent research has shown that metal-organic frameworks(MOFs) are of good potential for D_(2)/H_(2) separation application. In this work, a high-throughput computational screening of 12020 computation-ready experimental MOFs is carried out to determine the best MOFs for hydrogen isotope separation application. Meanwhile, the detailed structure-performance correlation is systematically investigated with the aid of machine learning. The results indicate that the ideal D_(2)/H_(2) adsorption selectivity calculated based on Henry coefficient is strongly correlated with the 1/ΔAD feature descriptor;that is, inverse of the adsorbility difference of the two adsorbates. Meanwhile, the machine learning(ML) results show that the prediction accuracy of all the four ML methods is significantly improved after the addition of this feature descriptor. In addition, the ML results based on extreme gradient boosting model also revealed that the 1/ΔAD descriptor has the highest relative importance compared to other commonly-used descriptors. To further explore the effect of hydrogen isotope separation in binary mixture, 1548 MOFs with ideal adsorption selectivity greater than 1.5 are simulated at equimolar conditions. The structure-performance relationship shows that high adsorption selectivity MOFs generally have smaller pore size(0.3-0.5 nm) and lower surface area. Among the top 200 performers, the materials mainly have the sql, pcu, cds, hxl, and ins topologies.Finally, three MOFs with high D_(2)/H_(2) selectivity and good D_(2) uptake are identified as the best candidates,of all which had one-dimensional channel pore. The findings obtained in this work may be helpful for the identification of potentially promising candidates for hydrogen isotope separation.
基金the Foundation of the National Natural Science Foundation of China(No.51974033)Educational Commission of Hubei Province of China(Q20191310,D20171305).
文摘In oil drilling processes,sand production in the oil layer is a common issue,generally mitigated by means of sand control screens.To prevent or reduce the risk of damage of these screens and to improve the related service life,it is necessary to investigate the related erosion dynamics.In this study,a screen mesh model based on the flow field similarity theory is proposed to overcome the otherwise too complex geometric structure of this type of equipment.Such model is optimized using experimental data.The predicted results are in good agreement with the measured values,and the error is less than 15%.The results also show that the simplified geometric screen model and the optimized Zhang et al.erosion model have high reliability;therefore,they could effective be used to select underground screen meshes and improve the design of production process.
基金Supported by King Saud University,College of Science-Research Center,Project Number PHYS/2009/19
文摘Higher order rnultipole potentials and electrostatic screening effects are introduced to incorporate the dan gling bonds on the surface of a metallic nanopaticle and to modify the coulornb like potential energy terms, respectively. The total interaction energy function for any rnetallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terrns are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.
文摘The catalyst screening tests for carbon dioxide oxidative coupling of methane (CO2-OCM) have been investigated over ternary and binary metal oxide catalysts. The catalysts are prepared by doping MgO- and CeO2-based solids with oxides from alkali (Li2O), alkaline earth (CaO), and transition metal groups (WO3 or MnO). The presence of the peroxide (O2-2) active sites on the Li2O2, revealed by Raman spectroscopy, may be the key factor in the enhanced performance of some of the Li2O/MgO catalysts. The high reducibility of the CeO2 catalyst, an important factor in the CO2-OCM catalyst activity, may be enhanced by the presence of manganese oxide species. The manganese oxide species increases oxygen mobility and oxygen vacancies in the CeO2 catalyst. Raman and Fourier Transform Infra Red (FT-IR) spectroscopies revealed the presence of lattice vibrations of metal-oxygen bondings and active sites in which the peaks corresponding to the bulk crystalline structures of Li2O, CaO, WO3 and MnO are detected. The performance of 5%MnO/15%CaO/CeO2 catalyst is the most potential among the CeO2-based catalysts, although lower than the 2%Li2O/MgO catalyst. The 2%Li2O/MgO catalyst showed the most promising C2+ hydrocarbons selectivity and yield at 98.0% and 5.7%, respectively.
基金This research was financially supported by the National High Technology Research and Development Program of China (No.2001AA337020)the Development Plan of State Key Fundamental Research of China (No. G2000067205-3)
文摘Straight plates, hollow columns, ear-like blade tips, twist plates withdirectional solidification microstructure made of Rene 95 superalloys were successfully fabricatedon Nickel-base superalloy and DD3 substrates, respectively. The processing conditions for productionof the parts with corresponding shapes were obtained. The fabrication precision was high and thecomponents were compact. The solidification microstructure of the parts was analyzed by opticalmicroscopy. The results show that the solidification microstructure is composed of columnardendrites, by epitaxial growth onto the directional solidification substrates. The crystallographyorientation of the parts was parallel to that of the substrates. The primary arm spacing was about10 mum, which is in the range of superfine dendrites, and the secondary arm was small or evendegenerated. It is concluded that the laser metal forming technique provides a method to manufacturedirectional solidification components.
文摘The coordination compounds of PdII, PtII, RhIII and IrIII metal ions with a Schiff base ligand (L) i.e. 2,6- diacetylpyridine bis(thiosemicarbazone) have been synthesized and characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, IR, NMR and electronic spectral studies. On the basis of molar conductance and elemental analyses the complexes were found to have composition [M(L)]Cl2 and [M’(L)Cl]Cl2, where M = Pd(II), Pt(II) and M’ = Rh(III), Ir(III). The spectral studies reveal that the complexes possess monomeric composition. Complexes of PdII and PtII were found to have four coordinated square planar geometry whereas the complexes of RhIII and IrIII posses six coordinated octahedral geometry. The ligand field parameters were calculated using various energy level diagrams. In vitro synthesized compounds and metal salts have been tested against some species of plant pathogenic fungi and bacteria in order to assess their antimicrobial properties.
基金supported by the Soonchunhyang University Research Fundsupported by the Supercomputing Center/Korea Institute of Science and Technology Information with supercomputing resources(KSC-2022-CRE-0354)+5 种基金supported by the “Regional Innovation Strategy(RIS)”through the National Research Foundation of Korea(NRF)funded by the Ministry of Education(MOE)(2021RIS-004)a study on the“Leaders in INdustry-university Cooperation 3.0”Project,supported by the Ministry of Education and National Research Foundation of Koreafunded by BK 21 FOUR(Fostering Outstanding Universities for Research)(5199991614564)supported by the National Research Council of Science&Technology(NST)grant by the Korea government(MSIT)(CRC-20-01-NFRI)supported by the research fund of Hanyang University(HY-2022-3095)supported by the Technology Innovation Program(20023140,Development of an integrated low-power,highperformance,cryogenic high-vacuum exhaust system for analyzing impurity concentrations in the process in real time)funded By the Ministry of Trade,Industry&Energy(MOTIE,Korea)。
文摘The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last decade.Investigating active,stable,and cost-efficient catalysts is crucial for oxygen evolution reaction owing to the significance in a range of electrochemical energy co nversion processes.In this work,we have demonstrated an efficient approach of high-throughput screening to find stable transition metal oxides under acid condition for high-performance oxygen evolution reaction(OER)catalysts through density functional theory(DFT)calculation and a machine learning algorithm.A methodology utilizing both the Materials Project database and DFT calculations was introduced to assess the acid stability under specific reaction conditions.Building upon this,OER catalytic activity of acid-stable materials was examined,highlighting potential OER catalysts that meet the required properties.We identified IrO_(2),Fe(SbO_(3))_(2),Co(SbO_(3))_(2),Ni(SbO_(3))_(2),FeSbO_(4),Fe(SbO_(3))4,MoWO_(6),TiSnO_(4),CoSbO_(4),and Ti(WO_(4))_(2)as promising catalysts,several of which have already been experimentally discovered for their robust OER performance,while others are novel for experimental exploration,thereby broadening the chemical scope for efficient OER electrocatalysts.Descriptors of the bond length of TM-O and the first ionization energy were used to unveil the OER activity origin.From the calculated results,guidance has been derived to effectively execute advanced high-throughput screenings for the discovery of catalysts with favorable properties.Furthermore,the intrinsic correlation between catalytic performance and various atomic and structural factors was elucidated using the ML algorithm.Through these approaches,we not only streamline the choice of the promising electrocatalysts but also offer insights for the design of varied catalyst models and the discovery of superior catalysts.