The plastic deformation properties of cylindrical pre-void aluminum-magnesium(Al-Mg)alloy under uniaxial tension are explored using molecular dynamics simulations with embedded atom method(EAM)potential.The factors of...The plastic deformation properties of cylindrical pre-void aluminum-magnesium(Al-Mg)alloy under uniaxial tension are explored using molecular dynamics simulations with embedded atom method(EAM)potential.The factors of Mg content,void size,and temperature are considered.The results show that the void fraction decreases with increasing Mg in the plastic deformation,and it is almost independent of Mg content when Mg is beyond 5%.Both Mg contents and stacking faults around the void affect the void growth.These phenomena are explained by the dislocation density of the sample and stacking faults distribution around the void.The variation trends of yield stress caused by void size are in good agreement with the Lubarda model.Moreover,temperature effects are explored,the yield stress and Young’s modulus obviously decrease with temperature.Our results may enrich and facilitate the understanding of the plastic mechanism of Al-Mg with defects or other alloys.展开更多
Tin dioxide (SnO2) has attracted broad interest due to its particular gas-sensor property. Nano- or atom-scale SnO2 material has always been the aim in order to ultimately improve the sensitivity. However, until now, ...Tin dioxide (SnO2) has attracted broad interest due to its particular gas-sensor property. Nano- or atom-scale SnO2 material has always been the aim in order to ultimately improve the sensitivity. However, until now, it remains difficult to synthesize SnO2 nanoclusters by using traditional methods. In the present work, we have achieved the preparation of SnO2 nanoclusters by using the cluster beam deposition technique. The obtained nanoclusters were well characterized by high resolution transmission electron microscope HR-TEM. Results indicated the formation of the well-dispersed SnO2 nanoclusters with uniform size distribution (5-7 nm). Furthermore, an obvious metal insulator transition was observed by gating with ionic liquid. Combined with theory calculation, the corresponding mechanism was systematically analyzed from oxygen vacancy induced electron doping.展开更多
A novel Ce-containing poly(tungstobismuthate)Cs18Na8H_(2)0[Ce3(H_(2)O)10W8Bi4O_(2)8(B-α-Bi W9O_(3)3)4]2·64H_(2)O(1)has been synthesized by a facile one-pot self-assembly reaction strategy.Its structural characte...A novel Ce-containing poly(tungstobismuthate)Cs18Na8H_(2)0[Ce3(H_(2)O)10W8Bi4O_(2)8(B-α-Bi W9O_(3)3)4]2·64H_(2)O(1)has been synthesized by a facile one-pot self-assembly reaction strategy.Its structural characterization is realized by virtue of single-crystal X-ray diffraction,infrared spectroscopy,powder X-ray diffraction and thermogravimetric analysis.The polyoxoanion of 1 is an octameric architecture consisting of two tetrameric entities[Ce3(H_(2)O)10W8Bi4O_(2)8(B-α-Bi W9O_(3)3)4]23-linked by two Ce–O–W bonds,and adjacent polyoxoanions are further combined together by means of Ce3+linkers,resulting in an infinite 1D chain architecture.Compound 1 is the currently largest tungstobismuthate,and also represents the first example of lanthanide-encapsulated tungstobismuthate exhibiting an extended structure.Furthermore,compound 1 as a heterogeneous catalyst,exhibits high activity for the oxidative decontamination of a sulfur mustard simulant,2-chloroethyl ethyl sulfide(CEES)into 2-chloroethyl ethyl sulfoxide(CEESO).展开更多
基金supported by the National Natural Science Foundation of China(Grant No.11502217)the Fundamental Research Funds for the Central Universities(Grant Nos.2452015054,2452017122,and JUSRP121042)+3 种基金the China Postdoctoral Science Foundation(Grant Nos.2015M570854 and 2016T90949)the Projects of the Manned Space Engineering Technology(Grant No.2020ZKZX-5011)Development of Large-Scale Spacecraft Flight and Reentry Surveillance and Prediction System,the Open Fund of Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education(NUAA)(Grant No.INMD-2019M08)Jiangsu Key Laboratory of Advanced Food Manufacturing Equipment and Technology(Grant Nos.FMZ202001 and FMZ202009)。
文摘The plastic deformation properties of cylindrical pre-void aluminum-magnesium(Al-Mg)alloy under uniaxial tension are explored using molecular dynamics simulations with embedded atom method(EAM)potential.The factors of Mg content,void size,and temperature are considered.The results show that the void fraction decreases with increasing Mg in the plastic deformation,and it is almost independent of Mg content when Mg is beyond 5%.Both Mg contents and stacking faults around the void affect the void growth.These phenomena are explained by the dislocation density of the sample and stacking faults distribution around the void.The variation trends of yield stress caused by void size are in good agreement with the Lubarda model.Moreover,temperature effects are explored,the yield stress and Young’s modulus obviously decrease with temperature.Our results may enrich and facilitate the understanding of the plastic mechanism of Al-Mg with defects or other alloys.
基金supported by the National Natural Science Foundation of China(No.11704325,No.11604288,and No.11774178)the Natural Science Foundation of Jiangsu Province(BK20170473,BK20160061)the Joint Open Fund of Jiangsu Collaborative Innovation Center for Ecological Building Material and Environmental Protection Equipment and Key Laboratory for Advanced Technology in Environmental Protection of Jiangsu Province(JH201843)
文摘Tin dioxide (SnO2) has attracted broad interest due to its particular gas-sensor property. Nano- or atom-scale SnO2 material has always been the aim in order to ultimately improve the sensitivity. However, until now, it remains difficult to synthesize SnO2 nanoclusters by using traditional methods. In the present work, we have achieved the preparation of SnO2 nanoclusters by using the cluster beam deposition technique. The obtained nanoclusters were well characterized by high resolution transmission electron microscope HR-TEM. Results indicated the formation of the well-dispersed SnO2 nanoclusters with uniform size distribution (5-7 nm). Furthermore, an obvious metal insulator transition was observed by gating with ionic liquid. Combined with theory calculation, the corresponding mechanism was systematically analyzed from oxygen vacancy induced electron doping.
基金financial support from the National Natural Science Foundation of China(No.U1704164)the Basic Research Project of Henan Provincial Key Scientific Research Project(No.22ZX002)。
文摘A novel Ce-containing poly(tungstobismuthate)Cs18Na8H_(2)0[Ce3(H_(2)O)10W8Bi4O_(2)8(B-α-Bi W9O_(3)3)4]2·64H_(2)O(1)has been synthesized by a facile one-pot self-assembly reaction strategy.Its structural characterization is realized by virtue of single-crystal X-ray diffraction,infrared spectroscopy,powder X-ray diffraction and thermogravimetric analysis.The polyoxoanion of 1 is an octameric architecture consisting of two tetrameric entities[Ce3(H_(2)O)10W8Bi4O_(2)8(B-α-Bi W9O_(3)3)4]23-linked by two Ce–O–W bonds,and adjacent polyoxoanions are further combined together by means of Ce3+linkers,resulting in an infinite 1D chain architecture.Compound 1 is the currently largest tungstobismuthate,and also represents the first example of lanthanide-encapsulated tungstobismuthate exhibiting an extended structure.Furthermore,compound 1 as a heterogeneous catalyst,exhibits high activity for the oxidative decontamination of a sulfur mustard simulant,2-chloroethyl ethyl sulfide(CEES)into 2-chloroethyl ethyl sulfoxide(CEESO).