This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materi...This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materials for optical devices.Band structure calculations reveal that,except for InSb,all other compounds are direct bandgap semiconductors,with AlN exhibiting a bandgap of 3.245 eV.The valence band maximum of these eight compounds primarily stems from the p-orbitals of Al/In and X.In contrast,the conduction band minimum is influenced by all orbitals,with a predominant contribution from the p-orbitals.The static dielectric constant increased with the expansion of the unit cell volume.Compared to AlX and InX with larger X atoms,AlN and InN showed broader absorption spectra in the near-ultraviolet region and higher photoelectric conductance.Regarding mechanical properties,AlN and InN displayed greater shear and bulk modulus than the other compounds.Moreover,among these eight crystal types,a higher modulus was associated with a lower light loss function value,indicating that AlN and InN have superior transmission efficiency and a wider spectral range in optoelectronic material applications.展开更多
Two new dinuclear lanthanidecomplexes,namely[Ln_(2)(dbm)_(2)(HL)_(2)(CH_(3)OH)_(2)]·4CH_(3)OH[Ln=Tb(1)and Dy(2),Hdbm=dibenzoylmethane]have been synthesized using prepared multidentate Schiff base ligand H_(3)L(hy...Two new dinuclear lanthanidecomplexes,namely[Ln_(2)(dbm)_(2)(HL)_(2)(CH_(3)OH)_(2)]·4CH_(3)OH[Ln=Tb(1)and Dy(2),Hdbm=dibenzoylmethane]have been synthesized using prepared multidentate Schiff base ligand H_(3)L(hydroxy‑acetic acid(4‑diethylamino‑2‑hydroxy‑benzylidene)‑hydrazide)with good biological activity.Structure characterizations show that the complex comprises two Ln3+ions,two dbm-ions,two HL^(2-)ligands,two CH_(3)OH molecules,and four free methanol molecules.Each Ln^(3+)ion is eight‑coordinated.The two central Lnions are bridged by twoμ_(2)‑O atoms leading to a parallelogram[Ln2O2]core.The interaction between the compounds(H_(3)L,1,and 2)and the calf thymus DNA(CT‑DNA)has been further confirmed by UV‑Vis spectrometry,fluorescence titration,and cyclic voltammetry.The results showed that both 1 and 2 could undergo insertion with CT‑DNA.CCDC:2343005,1;2343006,2.展开更多
With OLYMPUS PMG3 metallograph, an abnormal three-layer gradient structure, i. e. coarse grain zone, binder enrichment zone and normal structure zone from surface to inner, was observed in Cr3C2 based cemented carbide...With OLYMPUS PMG3 metallograph, an abnormal three-layer gradient structure, i. e. coarse grain zone, binder enrichment zone and normal structure zone from surface to inner, was observed in Cr3C2 based cemented carbide. In the binder enrichment zone, three different shapes of anomalous coarse carbides were observed. It is shown that the transverse rupture strength can be raised remarkably, up 20.7%from the alloy with abnormal gradient structure by removing the abnormal gradient structure. The results suggested that the abnormal gradient structure in the surface, especially the anomalous coarse carbides in the binder enrichment zone is the main reason for the lower strength展开更多
A complex multiple flame structure is formed during the combustion of AP/HTPB base bleed propellant.The AP monopropellant flame is concentrated in a thin zone above the burning surface of AP crystal to maintain self-s...A complex multiple flame structure is formed during the combustion of AP/HTPB base bleed propellant.The AP monopropellant flame is concentrated in a thin zone above the burning surface of AP crystal to maintain self-sustained decomposition.Due to the low temperature near the burning surface,the diffusion between the decomposition products of AP and the pyrolysis products of HTPB occurs,and a partly pre-mixed diffusion flame structure-leading edge flame(LEF)is formed.The effects of pressure,chemical reaction rate and AP particle size on diffusion flame structure in the range from 20 atm to 100 atm are discussed.The Peclet number increases from 6.64 at 20 atm to 21.91 at 100 atm when AP particle size is 140 mm.The high temperature zone is blown away from the burning surface because the convective transport rate increases with the increase in Peclet number.The chemical reaction rate is enhanced and the diffusion mixing is inhibited as Damkohler number increases.The chemical heat release is more concentrated and the chemical reaction zone becomes narrow when Damkohler number changes from 330 at20 atm to 4700 at 100 atm.When AP particle diameter is decreased to 60 mm,the diffusion time scale is reduced due to the reduced diffusion length scale.So the diffusion mixing is enhanced and a more pre-mixed flame is formed.The burning rate increases because the more pre-mixed heat release increases the heat feedback to the HTPB binder.展开更多
A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in...A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.展开更多
Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene...Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.展开更多
为保障复杂装备技术状态管理的有效集成和多方协同,实现技术状态管理业务数据的双重有序管控,提出基于领域系统(domain system,DS)的建模架构和设计方法。通过引入基于模式的系统工程(pattern-based system engineering,PBSE)框架,构建...为保障复杂装备技术状态管理的有效集成和多方协同,实现技术状态管理业务数据的双重有序管控,提出基于领域系统(domain system,DS)的建模架构和设计方法。通过引入基于模式的系统工程(pattern-based system engineering,PBSE)框架,构建基于DS的复杂装备技术状态管理基本架构,设计DS元模型、DS模型、DS模式的建模方法,将国防部体系架构元模型(Department of Defense Architecture framework metamodel,DM2)进行复杂装备技术状态管理领域化重组为DS元模型,并通过领域元数据映射为DS模型,使其有序组织为适用于具体装备技术状态管理的DS模式。为验证所提方法的有效性,以运载火箭结构系统多视图物料清单(X bill of material,XBOM)为案例,开展基于DS的技术状态管理应用。结果表明,所提方法可为其技术状态管理提供兼具建模的一致性和可追溯性的实施方案,为复杂装备技术状态管理的领域模型配置提供指导性思路。展开更多
文摘This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materials for optical devices.Band structure calculations reveal that,except for InSb,all other compounds are direct bandgap semiconductors,with AlN exhibiting a bandgap of 3.245 eV.The valence band maximum of these eight compounds primarily stems from the p-orbitals of Al/In and X.In contrast,the conduction band minimum is influenced by all orbitals,with a predominant contribution from the p-orbitals.The static dielectric constant increased with the expansion of the unit cell volume.Compared to AlX and InX with larger X atoms,AlN and InN showed broader absorption spectra in the near-ultraviolet region and higher photoelectric conductance.Regarding mechanical properties,AlN and InN displayed greater shear and bulk modulus than the other compounds.Moreover,among these eight crystal types,a higher modulus was associated with a lower light loss function value,indicating that AlN and InN have superior transmission efficiency and a wider spectral range in optoelectronic material applications.
文摘Two new dinuclear lanthanidecomplexes,namely[Ln_(2)(dbm)_(2)(HL)_(2)(CH_(3)OH)_(2)]·4CH_(3)OH[Ln=Tb(1)and Dy(2),Hdbm=dibenzoylmethane]have been synthesized using prepared multidentate Schiff base ligand H_(3)L(hydroxy‑acetic acid(4‑diethylamino‑2‑hydroxy‑benzylidene)‑hydrazide)with good biological activity.Structure characterizations show that the complex comprises two Ln3+ions,two dbm-ions,two HL^(2-)ligands,two CH_(3)OH molecules,and four free methanol molecules.Each Ln^(3+)ion is eight‑coordinated.The two central Lnions are bridged by twoμ_(2)‑O atoms leading to a parallelogram[Ln2O2]core.The interaction between the compounds(H_(3)L,1,and 2)and the calf thymus DNA(CT‑DNA)has been further confirmed by UV‑Vis spectrometry,fluorescence titration,and cyclic voltammetry.The results showed that both 1 and 2 could undergo insertion with CT‑DNA.CCDC:2343005,1;2343006,2.
文摘With OLYMPUS PMG3 metallograph, an abnormal three-layer gradient structure, i. e. coarse grain zone, binder enrichment zone and normal structure zone from surface to inner, was observed in Cr3C2 based cemented carbide. In the binder enrichment zone, three different shapes of anomalous coarse carbides were observed. It is shown that the transverse rupture strength can be raised remarkably, up 20.7%from the alloy with abnormal gradient structure by removing the abnormal gradient structure. The results suggested that the abnormal gradient structure in the surface, especially the anomalous coarse carbides in the binder enrichment zone is the main reason for the lower strength
基金the financial support provided by the National Natural Science Foundation of China(No.51176076)
文摘A complex multiple flame structure is formed during the combustion of AP/HTPB base bleed propellant.The AP monopropellant flame is concentrated in a thin zone above the burning surface of AP crystal to maintain self-sustained decomposition.Due to the low temperature near the burning surface,the diffusion between the decomposition products of AP and the pyrolysis products of HTPB occurs,and a partly pre-mixed diffusion flame structure-leading edge flame(LEF)is formed.The effects of pressure,chemical reaction rate and AP particle size on diffusion flame structure in the range from 20 atm to 100 atm are discussed.The Peclet number increases from 6.64 at 20 atm to 21.91 at 100 atm when AP particle size is 140 mm.The high temperature zone is blown away from the burning surface because the convective transport rate increases with the increase in Peclet number.The chemical reaction rate is enhanced and the diffusion mixing is inhibited as Damkohler number increases.The chemical heat release is more concentrated and the chemical reaction zone becomes narrow when Damkohler number changes from 330 at20 atm to 4700 at 100 atm.When AP particle diameter is decreased to 60 mm,the diffusion time scale is reduced due to the reduced diffusion length scale.So the diffusion mixing is enhanced and a more pre-mixed flame is formed.The burning rate increases because the more pre-mixed heat release increases the heat feedback to the HTPB binder.
文摘A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.
文摘Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.
文摘为保障复杂装备技术状态管理的有效集成和多方协同,实现技术状态管理业务数据的双重有序管控,提出基于领域系统(domain system,DS)的建模架构和设计方法。通过引入基于模式的系统工程(pattern-based system engineering,PBSE)框架,构建基于DS的复杂装备技术状态管理基本架构,设计DS元模型、DS模型、DS模式的建模方法,将国防部体系架构元模型(Department of Defense Architecture framework metamodel,DM2)进行复杂装备技术状态管理领域化重组为DS元模型,并通过领域元数据映射为DS模型,使其有序组织为适用于具体装备技术状态管理的DS模式。为验证所提方法的有效性,以运载火箭结构系统多视图物料清单(X bill of material,XBOM)为案例,开展基于DS的技术状态管理应用。结果表明,所提方法可为其技术状态管理提供兼具建模的一致性和可追溯性的实施方案,为复杂装备技术状态管理的领域模型配置提供指导性思路。
