The adsorption of CO on different lattice oxygen sites in Cu doped CeO_(2)(111)was studied by DFT method,and the geometrical structure and electronic properties of adsorption systems were analyzed.The results showed t...The adsorption of CO on different lattice oxygen sites in Cu doped CeO_(2)(111)was studied by DFT method,and the geometrical structure and electronic properties of adsorption systems were analyzed.The results showed that CO interacted with lattice oxygen on the first layer formed CO_(2).However,when adsorbed on the second layer lattice oxygen,carbonate species were formed with the participation of first layer lattice oxygens,i.e.,CO co-adsorbed on first and second layer lattice oxygens.For the second layer adsorption,the absolute CO adsorption energy was big on the Oss nearby Cu.This kind of carbonates was thermodynamically stable,and it was attributed to the facilitation of Cu on CO adsorption,manifested by an electron migration behavior from the C 2p orbitals to the Cu 3d orbitals.However,the absolute CO adsorption energy on the Oss away from Cu was small.Compared to the formation of carbonates,the formation CO_(2)had very small absolute adsorption energy,suggesting the formed carbonates on second layer was stable.Further,when CO adsorbed on the systems with a carbonate,the absolute CO adsorption energy was significantly smaller than that of the non-carbonated system,indicating that the formation of carbonates inhibited CO oxidation on Cu/CeO_(2)(111).Therefore,the formation of carbonates was unfavorable for CO oxidation reaction on Cu/CeO_(2)(111).The results of this study provide theoretical support for the negative effect of CO_(2)on ceria-based catalysts.展开更多
Recent advances in additive manufacturing have enabled the construction of metallic lattice structures with tailored mechanical and functional properties.One potential application of metallic lattice struc-tures is in...Recent advances in additive manufacturing have enabled the construction of metallic lattice structures with tailored mechanical and functional properties.One potential application of metallic lattice struc-tures is in the impact load mitigation where an external kinetic energy is absorbed by the deformation/crushing of lattice cells.This has motivated a growing number of experimental and numerical studies,recently,on the crushing behavior of additively produced lattice structures.The present study overviews the dynamic and quasi-static crushing behavior of additively produced Ti64,316L,and AlSiMg alloy lattice structures.The first part of the study summarizes the main features of two most commonly used additive processing techniques for lattice structures,namely selective-laser-melt(SLM)and electro-beam-melt(EBM),along with a description of commonly observed process induced defects.In the second part,the deformation and strain rate sensitivities of the selected alloy lattices are outlined together with the most widely used dynamic test methods,followed by a part on the observed micro-structures of the SLM and EBM-processed Ti64,316L and AlSiMg alloys.Finally,the experimental and numerical studies on the quasi-static and dynamic compression behavior of the additively processed Ti64,316L,and AlSiMg alloy lattices are reviewed.The results of the experimental and numerical studies of the dynamic properties of various types of lattices,including graded,non-uniform strut size,hollow,non-uniform cell size,and bio-inspired,were tabulated together with the used dynamic testing methods.The dynamic tests have been noted to be mostly conducted in compression Split Hopkinson Pressure Bar(SHPB)or Taylor-and direct-impact tests using the SHPB set-up,in all of which relatively small-size test specimens were tested.The test specimen size effect on the compression behavior of the lattices was further emphasized.It has also been shown that the lattices of Ti64 and AlSiMg alloys are relatively brittle as compared with the lattices of 316L alloy.Finally,the challenges associated with modelling lattice structures were explained and the micro tension tests and multi-scale modeling techniques combining microstructural characteristics with macroscopic lattice dynamics were recommended to improve the accuracy of the numerical simulations of the dynamic compression deformations of metallic lattice structures.展开更多
In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to eluc...In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to elucidating the influences of rod cross-section dimensions,structure height,structure layer,and rod inclination angle on the deformation mode,ballistic performances,and ability to change the ballistic direction of fragments.The results show that the ballistic performances of hourglass lattice sandwich structures are mainly affected by their structural parameters.In this respect,structural parameters optimization of the hourglass lattice sandwich structures enable one to effectively improve their ballistic limit velocity and,consequently,ballistic performances.展开更多
The response wavelength of the blocked-impurity-band(BIB)structured infrared detector can reach 200µm,which is the most important very long wavelength infrared astronomical detector.The ion implantation method gr...The response wavelength of the blocked-impurity-band(BIB)structured infrared detector can reach 200µm,which is the most important very long wavelength infrared astronomical detector.The ion implantation method greatly simplifies the fabrication process of the device,but it is easy to cause lattice damage,introduce crystalline defects,and lead to the increase of the dark current of detectors.Herein,the boron-doped germanium ion implantation process was studied,and the involved lattice damage mechanism was discussed.Experimental conditions involved using 80 keV energy for boron ion implantation,with doses ranging from 1×10^(13)cm^(-2)to 3×10^(15)cm^(-2).After implantation,thermal annealing at 450℃was implemented to optimize dopant activation and mitigate the effects of ion implantation.Various sophisticated characterization techniques,including X-ray dif⁃fraction(XRD),Raman spectroscopy,X-ray photoelectron spectroscopy(XPS),and secondary ion mass spec⁃trometry(SIMS)were used to clarify lattice damage.At lower doses,no notable structural alterations were ob⁃served.However,as the dosage increased,specific micro distortions became apparent,which could be attributed to point defects and residual strain.The created lattice damage was recovered by thermal treatment,however,an irreversible strain induced by implantation still existed at heavily dosed samples.展开更多
Modern additive manufacturing processes enable fabricating architected cellular materials of complex shape,which can be used for different purposes.Among them,lattice structures are increasingly used in applications r...Modern additive manufacturing processes enable fabricating architected cellular materials of complex shape,which can be used for different purposes.Among them,lattice structures are increasingly used in applications requiring a compromise among lightness and suited mechanical properties,like improved energy absorption capacity and specific stiffness-to-weight and strength-to-weight ratios.A dedicated modeling strategy to assess the energy absorption capacity of lattice structures under uni-axial compression loading is presented in this work.The numerical model is developed in a non-linear framework accounting for the strain rate effect on the mechanical responses of the lattice structure.Four geometries,i.e.,cubic body centered cell,octet cell,rhombic-dodecahedron and truncated cuboctahedron 2+,are investigated.Specifically,the influence of the relative density of the representative volume element of each geometry,the strain-rate dependency of the bulk material and of the presence of the manufacturing process-induced geometrical imperfections on the energy absorption capacity of the lattice structure is investigated.The main outcome of this study points out the importance of correctly integrating geometrical imperfections into the modeling strategy when shock absorption applications are aimed for.展开更多
基金supported by National Natural Science Foundation of China(22379059)Applied Basic Research Program Project of Liaoning Province(2023JH2/101300224)+4 种基金Service Local Project of the Education Department of Liaoning Province(Enlisting and Leading)(LJKFZ20220201)General Project of the Educational Department of Liaoning Province(LJKMZ20220728)supported by Talent Scientific Research Fund of Liaoning Petrochemical University(2019-XJJL-028)Collaborative Innovation Project of Beijing-Tianjin-Hebei(Tianjin)(22PTXTHZ00020)Basic scientific research project of Liaoning Provincial Department of Education(LJ212410148019)。
文摘The adsorption of CO on different lattice oxygen sites in Cu doped CeO_(2)(111)was studied by DFT method,and the geometrical structure and electronic properties of adsorption systems were analyzed.The results showed that CO interacted with lattice oxygen on the first layer formed CO_(2).However,when adsorbed on the second layer lattice oxygen,carbonate species were formed with the participation of first layer lattice oxygens,i.e.,CO co-adsorbed on first and second layer lattice oxygens.For the second layer adsorption,the absolute CO adsorption energy was big on the Oss nearby Cu.This kind of carbonates was thermodynamically stable,and it was attributed to the facilitation of Cu on CO adsorption,manifested by an electron migration behavior from the C 2p orbitals to the Cu 3d orbitals.However,the absolute CO adsorption energy on the Oss away from Cu was small.Compared to the formation of carbonates,the formation CO_(2)had very small absolute adsorption energy,suggesting the formed carbonates on second layer was stable.Further,when CO adsorbed on the systems with a carbonate,the absolute CO adsorption energy was significantly smaller than that of the non-carbonated system,indicating that the formation of carbonates inhibited CO oxidation on Cu/CeO_(2)(111).Therefore,the formation of carbonates was unfavorable for CO oxidation reaction on Cu/CeO_(2)(111).The results of this study provide theoretical support for the negative effect of CO_(2)on ceria-based catalysts.
基金the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 101034425 for the project titled A2M2TECHThe Scientific and Technological Research Council of Türkiye (TUBITAK) with grant No 120C158 for the same A2M2TECH project under the TUBITAK's 2236/B program
文摘Recent advances in additive manufacturing have enabled the construction of metallic lattice structures with tailored mechanical and functional properties.One potential application of metallic lattice struc-tures is in the impact load mitigation where an external kinetic energy is absorbed by the deformation/crushing of lattice cells.This has motivated a growing number of experimental and numerical studies,recently,on the crushing behavior of additively produced lattice structures.The present study overviews the dynamic and quasi-static crushing behavior of additively produced Ti64,316L,and AlSiMg alloy lattice structures.The first part of the study summarizes the main features of two most commonly used additive processing techniques for lattice structures,namely selective-laser-melt(SLM)and electro-beam-melt(EBM),along with a description of commonly observed process induced defects.In the second part,the deformation and strain rate sensitivities of the selected alloy lattices are outlined together with the most widely used dynamic test methods,followed by a part on the observed micro-structures of the SLM and EBM-processed Ti64,316L and AlSiMg alloys.Finally,the experimental and numerical studies on the quasi-static and dynamic compression behavior of the additively processed Ti64,316L,and AlSiMg alloy lattices are reviewed.The results of the experimental and numerical studies of the dynamic properties of various types of lattices,including graded,non-uniform strut size,hollow,non-uniform cell size,and bio-inspired,were tabulated together with the used dynamic testing methods.The dynamic tests have been noted to be mostly conducted in compression Split Hopkinson Pressure Bar(SHPB)or Taylor-and direct-impact tests using the SHPB set-up,in all of which relatively small-size test specimens were tested.The test specimen size effect on the compression behavior of the lattices was further emphasized.It has also been shown that the lattices of Ti64 and AlSiMg alloys are relatively brittle as compared with the lattices of 316L alloy.Finally,the challenges associated with modelling lattice structures were explained and the micro tension tests and multi-scale modeling techniques combining microstructural characteristics with macroscopic lattice dynamics were recommended to improve the accuracy of the numerical simulations of the dynamic compression deformations of metallic lattice structures.
基金supported by the Defense Industrial Technology Development Program(Grant No.JCKY2018604B004)the National Natural Science Foundation of China(Grant No.11972007)。
文摘In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to elucidating the influences of rod cross-section dimensions,structure height,structure layer,and rod inclination angle on the deformation mode,ballistic performances,and ability to change the ballistic direction of fragments.The results show that the ballistic performances of hourglass lattice sandwich structures are mainly affected by their structural parameters.In this respect,structural parameters optimization of the hourglass lattice sandwich structures enable one to effectively improve their ballistic limit velocity and,consequently,ballistic performances.
基金Supported by National Key R&D Program of China(2023YFA1608701)National Natural Science Foundation of China(62274168,11933006,U2141240)Hangzhou Leading Innovation and Entrepreneurship Team(TD2020002)。
文摘The response wavelength of the blocked-impurity-band(BIB)structured infrared detector can reach 200µm,which is the most important very long wavelength infrared astronomical detector.The ion implantation method greatly simplifies the fabrication process of the device,but it is easy to cause lattice damage,introduce crystalline defects,and lead to the increase of the dark current of detectors.Herein,the boron-doped germanium ion implantation process was studied,and the involved lattice damage mechanism was discussed.Experimental conditions involved using 80 keV energy for boron ion implantation,with doses ranging from 1×10^(13)cm^(-2)to 3×10^(15)cm^(-2).After implantation,thermal annealing at 450℃was implemented to optimize dopant activation and mitigate the effects of ion implantation.Various sophisticated characterization techniques,including X-ray dif⁃fraction(XRD),Raman spectroscopy,X-ray photoelectron spectroscopy(XPS),and secondary ion mass spec⁃trometry(SIMS)were used to clarify lattice damage.At lower doses,no notable structural alterations were ob⁃served.However,as the dosage increased,specific micro distortions became apparent,which could be attributed to point defects and residual strain.The created lattice damage was recovered by thermal treatment,however,an irreversible strain induced by implantation still existed at heavily dosed samples.
文摘Modern additive manufacturing processes enable fabricating architected cellular materials of complex shape,which can be used for different purposes.Among them,lattice structures are increasingly used in applications requiring a compromise among lightness and suited mechanical properties,like improved energy absorption capacity and specific stiffness-to-weight and strength-to-weight ratios.A dedicated modeling strategy to assess the energy absorption capacity of lattice structures under uni-axial compression loading is presented in this work.The numerical model is developed in a non-linear framework accounting for the strain rate effect on the mechanical responses of the lattice structure.Four geometries,i.e.,cubic body centered cell,octet cell,rhombic-dodecahedron and truncated cuboctahedron 2+,are investigated.Specifically,the influence of the relative density of the representative volume element of each geometry,the strain-rate dependency of the bulk material and of the presence of the manufacturing process-induced geometrical imperfections on the energy absorption capacity of the lattice structure is investigated.The main outcome of this study points out the importance of correctly integrating geometrical imperfections into the modeling strategy when shock absorption applications are aimed for.
