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Molecular simulation study of the microstructures and properties of pyridinium ionic liquid[HPy][BF_(4)]mixed with acetonitrile
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作者 XU Jian-Qiang MA Zhao-Peng +2 位作者 CHENG Si LIU Zhi-Cong ZHU Guang-Lai 《原子与分子物理学报》 CAS 北大核心 2025年第4期27-32,共6页
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo... The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently. 展开更多
关键词 Pyridinium ionic liquids Thermodynamic properties Molecular dynamics simulation Radial distribution functions
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A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing 被引量:1
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作者 Huajing Zong Nan Kang +1 位作者 Zehao Qin Mohamed El Mansori 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第5期1048-1071,共24页
The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF mak... The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF makes it possible to design and produce complex conformal cooling channel systems in molds.Thus,LPBF-processed tool steels have attracted more and more attention.The complex thermal history in the LPBF process makes the microstructural characteristics and properties different from those of conventional manufactured tool steels.This paper provides an overview of LPBF-processed tool steels by describing the physical phenomena,the microstructural characteristics,and the mechanical/thermal properties,including tensile properties,wear resistance,and thermal properties.The microstructural characteristics are presented through a multiscale perspective,ranging from densification,meso-structure,microstructure,substructure in grains,to nanoprecipitates.Finally,a summary of tool steels and their challenges and outlooks are introduced. 展开更多
关键词 additive manufacturing laser powder bed fusion tool steel multi-scaled structure mechanical properties thermal properties
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Microstructure and Properties of AlCoCrFeNiTi High-Entropy Alloy Coatings Prepared by Laser Cladding 被引量:1
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作者 Mengxian Li Zhiping Sun +1 位作者 Zhaomin Xu Zhiming Wang 《Journal of Harbin Institute of Technology(New Series)》 CAS 2024年第2期50-61,共12页
21-4N(5Cr21Mn9Ni4N)is extensively employed in the production of engine valves,operating under severe conditions.Apart from withstanding high-temperature gas corrosion,it must also endure the impact of cylinder explosi... 21-4N(5Cr21Mn9Ni4N)is extensively employed in the production of engine valves,operating under severe conditions.Apart from withstanding high-temperature gas corrosion,it must also endure the impact of cylinder explosion pressure.The predominant failure mode of 21-4N valves is abrasive wear.Surface coatings serve as an effective approach to prevent such failures.In this investigation,Laser cladding technology was utilized to fabricate AlCoCrFeNiTi high entropy alloy coatings onto the surfaces of 21-4N valves.According to the findings,the cladding zone has a normal dendritic microstructure,a good substrate-to-cladding layer interaction,and no obvious flaws.In terms of hardness,the cladding demonstrates an average hardness of 620 HV.The hardness has increased by 140%compared to the substrate.The average hardness of the cladding remains at approximately 520 HV even at elevated temperatures.Regarding frictional wear performance,between 400℃and 800℃,the cladding layer exhibits an average friction coefficient of 0.4,with the primary wear mechanisms being abrasive wear,adhesive wear,and a minor degree of plastic deformation. 展开更多
关键词 high entropy alloy laser cladding MICROstructure microstructure and properties
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Structure,electronic,and nonlinear optical properties of superalkaline M_(3)O(M=Li,Na)doped cyclo[18]carbon
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作者 刘晓东 卢其亮 罗其全 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期311-317,共7页
Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an ef... Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm. 展开更多
关键词 superalkaline doped carbon structure and electronic properties nonlinear optical properties density functional theory(DFT)
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Influence of Sr on microstructure evolution,mechanical and corrosion properties of extruded Mg-2Zn-0.5Ca alloy
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作者 Junlong Qin Lili Chang Xiaojing Su 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第9期3744-3757,共14页
Degradable Mg-Zn-Ca alloys with Sr addition were prepared by vacuum melting and hot extrusion.Effect of Sr on microstructure,mechanical and corrosion properties of hot extruded Mg-2Zn-0.5Ca-xSr(x=0,0.5,1.0)alloys was ... Degradable Mg-Zn-Ca alloys with Sr addition were prepared by vacuum melting and hot extrusion.Effect of Sr on microstructure,mechanical and corrosion properties of hot extruded Mg-2Zn-0.5Ca-xSr(x=0,0.5,1.0)alloys was investigated.The results show that Sr addition into Mg-2Zn-0.5Ca alloys produced significant grain refinement in ingots and obvious texture weakening effects in extruded bars.The ultimate compressive strength increased as the Sr content increased,while the ultimate tensile strength increased firstly and then declined with the increasing of Sr content.Electrochemical tests indicated the corrosion current density of the surface parallel to extrusion direction(ED)was much lower than that of the surface perpendicular to ED.In-vitro immersion tests demonstrated the increase in the pH of solution and weight loss of Mg-2Zn-0.5Ca-0.5Sr alloy remain the lowest during immersion tests.The best comprehensive property was obtained in Mg-2Zn-0.5Ca-0.5Sr alloy,which has the largest strength and the best corrosion resistance. 展开更多
关键词 Mg-Zn-Ca-Sr alloys EXTRUSION Microstructure Mechanical properties Corrosion properties
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Microstructures,corrosion behavior and mechanical properties of as-cast Mg-6Zn-2X(Fe/Cu/Ni)alloys for plugging tool applications 被引量:1
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作者 Baosheng Liu Jiali Wei +4 位作者 Shaohua Zhang Yuezhong Zhang Pengpeng Wu Daqing Fang Guorui Ma 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第4期697-711,共15页
Mg-6Zn-2X(Fe/Cu/Ni)alloys were prepared through semi-continuous casting,with the aim of identifying a degradable magnesium(Mg)alloy suitable for use in fracturing balls.A comparative analysis was conducted to assess t... Mg-6Zn-2X(Fe/Cu/Ni)alloys were prepared through semi-continuous casting,with the aim of identifying a degradable magnesium(Mg)alloy suitable for use in fracturing balls.A comparative analysis was conducted to assess the impacts of adding Cu and Ni,which result in finer grains and the formation of galvanic corrosion sites.Scanner electronic microscopy examination revealed that precipitated phases concentrated at grain boundaries,forming a semi-continuous network structure that facilitated corrosion penetration in Mg-6Zn-2Cu and Mg-6Zn-2Ni alloys.Pitting corrosion was observed in Mg-6Zn-2Fe,while galvanic corrosion was identified as the primary mechanism in Mg-6Zn-2Cu and Mg-6Zn-2Ni alloys.Among the tests,the Mg-6Zn-2Ni alloy exhibited the highest corrosion rate(approximately 932.9 mm/a)due to its significant potential difference.Mechanical testing showed that Mg-6Zn-2Ni alloy possessed suitable ultimate compressive strength,making it a potential candidate material for degradable fracturing balls,effectively addressing the challenges of balancing strength and degradation rate in fracturing applications. 展开更多
关键词 magnesium alloys microstructure micro-galvanic corrosion mechanical properties
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Microstructure and damping properties of LPSO phase dominant Mg-Ni-Y and Mg-Zn-Ni-Y alloys 被引量:1
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作者 Ruopeng Lu Kai Jiao +3 位作者 Nanting Li Hua Hou Jingfeng Wang Yuhong Zhao 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第3期1131-1153,共23页
This work studied the microstructure,mechanical properties and damping properties of Mg_(95.34)Ni_(2)Y_(2.66) and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys systematically.The difference in the evolution of the long-period ... This work studied the microstructure,mechanical properties and damping properties of Mg_(95.34)Ni_(2)Y_(2.66) and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys systematically.The difference in the evolution of the long-period stacked ordered(LPSO)phase in the two alloys during heat treatment was the focus.The morphology of the as-cast Mg_(95.34)Ni_(2)Y_(2.66)presented a disordered network.After heat treatment at 773 K for 2 hours,the eutectic phase was integrated into the matrix,and the LPSO phase maintained the 18R structure.As Zn partially replaced Ni,the crystal grains became rounded in the cast alloy,and lamellar LPSO phases and more solid solution atoms were contained in the matrix after heat treatment of the Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloy.Both Zn and the heat treatment had a significant effect on damping.Obvious dislocation internal friction peaks and grain boundary internal friction peaks were found after temperature-dependent damping of the Mg_(95.34)Ni_(2)Y_(2.66)and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys.After heat treatment,the dislocation peak was significantly increased,especially in the alloy Mg_(95.34)Ni_(2)Y_(2).66.The annealed Mg_(95.34)Ni_(2)Y_(2.66)alloy with a rod-shaped LPSO phase exhibited a good damping performance of 0.14 atε=10^(−3),which was due to the difference between the second phase and solid solution atom content.These factors also affected the dynamic modulus of the alloy.The results of this study will help in further development of high-damping magnesium alloys. 展开更多
关键词 Mg-Ni-Y alloys Mg-Zn-Ni-Y alloys LPSO phase Heat treatment MICROstructure Damping properties.
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Toward understanding the microstructure characteristics,phase selection and magnetic properties of laser additive manufactured Nd-Fe-B permanent magnets 被引量:1
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作者 Bo Yao Nan Kang +6 位作者 Xiangyu Li Dou Li Mohamed EL Mansori Jing Chen Haiou Yang Hua Tan Xin Lin 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2024年第1期277-294,共18页
Nd-Fe-B permanent magnets play a crucial role in energy conversion and electronic devices.The essential magnetic properties of Nd-Fe-B magnets,particularly coercivity and remanent magnetization,are significantly infue... Nd-Fe-B permanent magnets play a crucial role in energy conversion and electronic devices.The essential magnetic properties of Nd-Fe-B magnets,particularly coercivity and remanent magnetization,are significantly infuenced by the phase characteristics and microstructure.In this work,Nd-Fe-B magnets were manufactured using vacuum induction melting(VIM),laser directed energy deposition(LDED)and laser powder bed fusion(LPBF)technologies.Themicrostructure evolution and phase selection of Nd-Fe-B magnets were then clarified in detail.The results indicated that the solidification velocity(V)and cooling rate(R)are key factors in the phase selection.In terms of the VIM-casting Nd-Fe-B magnet,a large volume fraction of theα-Fe soft magnetic phase(39.7 vol.%)and Nd2Fe17Bxmetastable phase(34.7 vol.%)areformed due to the low R(2.3×10-1?C s-1),whereas only a minor fraction of the Nd2Fe14B hard magnetic phase(5.15 vol.%)is presented.For the LDED-processed Nd-Fe-B deposit,although the Nd2Fe14B hard magnetic phase also had a low value(3.4 vol.%)as the values of V(<10-2m s-1)and R(5.06×103?C s-1)increased,part of theα-Fe soft magnetic phase(31.7vol.%)is suppressed,and a higher volume of Nd2Fe17Bxmetastable phases(47.5 vol.%)areformed.As a result,both the VIM-casting and LDED-processed Nd-Fe-B deposits exhibited poor magnetic properties.In contrast,employing the high values of V(>10-2m s-1)and R(1.45×106?C s-1)in the LPBF process resulted in the substantial formation of the Nd2Fe14B hard magnetic phase(55.8 vol.%)directly from the liquid,while theα-Fe soft magnetic phase and Nd2Fe17Bxmetastable phase precipitation are suppressed in the LPBF-processed Nd-Fe-B magnet.Additionally,crystallographic texture analysis reveals that the LPBF-processedNd-Fe-B magnets exhibit isotropic magnetic characteristics.Consequently,the LPBF-processed Nd-Fe-B deposit,exhibiting a coercivity of 656 k A m-1,remanence of 0.79 T and maximum energy product of 71.5 k J m-3,achieved an acceptable magnetic performance,comparable to other additive manufacturing processed Nd-Fe-B magnets from MQP(Nd-lean)Nd-Fe-Bpowder. 展开更多
关键词 laser additive manufacturing(LAM) Nd-Fe-B permanent magnets numerical simulation microstructure magnetic properties
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Effect of Fe_(2)O_(3)on the Structure,Physical Properties and Crystallization of CaO-Al_(2)O_(3)-SiO_(2)Glass
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作者 张峰 XIONG Dehua +7 位作者 谢俊 张继红 HAN Jianjun CHEN Dequan WEN Zhongquan FAN Zhenhua CHEN Lina SUN Tengfei 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第4期954-961,共8页
The calcium aluminosilicate-based glasses(CaO-Al_(2)O_(3)-SiO_(2),CAS)with different Fe_(2)O_(3)content(0.10wt%,0.50wt%,0.90wt%,and 1.30wt%)were prepared by traditional melt-quenching method.The glass network structur... The calcium aluminosilicate-based glasses(CaO-Al_(2)O_(3)-SiO_(2),CAS)with different Fe_(2)O_(3)content(0.10wt%,0.50wt%,0.90wt%,and 1.30wt%)were prepared by traditional melt-quenching method.The glass network structure,thermal and mechanical properties,and crystallization behavior changes were investigated by nuclear magnetic resonance spectrometer,Fourier-transform infrared spectro-photometer,X-ray diffractometer,differential scanning calorimetry and field emission scanning electron microscope measurements.The change of Q^(n)in glass structures reveals the glass network connectivity decreases due to the increasing content of Fe_(2)O_(3)addition,resulting in the increasing of non-bridging number in glass structure.The glass densities slightly rise from 2.644 to 2.681 g/cm^(3),while Vickers’s hardness increases at first,from 6.469 to 6.901 GPa,then slightly drops to 6.745 GPa,with Fe_(2)O_(3)content increase.There is almost no thermal expansion coefficient change from different Fe_(2)O_(3)content.The glass transmittance in visible range gradually decreases with higher Fe_(2)O_(3)content,resulting from the strong absorption of Fe^(2+)and Fe^(3+)ions.The calculated activation energy from thermal analysis results first decreases from 282.70 to 231.18 kJ/mol,and then increases to 244.02 kJ/mol,with the Fe_(2)O_(3)content increasing from 0.10wt%to 1.30wt%.Meanwhile,the maximum Avrami constant of 2.33 means the CAS glasses exhibit two-dimensional crystallization.All of the CAS glass-ceramics samples contain main crystal phase of anorthite,the microstructure appears lamellar and columnar crystals. 展开更多
关键词 calcium aluminosilicate glass network structure physical properties CRYSTALLIZATION
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Design and additive manufacturing of bionic hybrid structure inspired by cuttlebone to achieve superior mechanical properties and shape memory function
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作者 Luhao Yuan Dongdong Gu +8 位作者 Xin Liu Keyu Shi Kaijie Lin He Liu Han Zhang Donghua Dai Jianfeng Sun Wenxin Chen Jie Wang 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2024年第5期189-206,共18页
Lightweight porous materials with high load-bearing,damage tolerance and energy absorption(EA)as well as intelligence of shape recovery after material deformation are beneficial and critical for many applications,e.g.... Lightweight porous materials with high load-bearing,damage tolerance and energy absorption(EA)as well as intelligence of shape recovery after material deformation are beneficial and critical for many applications,e.g.aerospace,automobiles,electronics,etc.Cuttlebone produced in the cuttlefish has evolved vertical walls with the optimal corrugation gradient,enabling stress homogenization,significant load bearing,and damage tolerance to protect the organism from high external pressures in the deep sea.This work illustrated that the complex hybrid wave shape in cuttlebone walls,becoming more tortuous from bottom to top,creates a lightweight,load-bearing structure with progressive failure.By mimicking the cuttlebone,a novel bionic hybrid structure(BHS)was proposed,and as a comparison,a regular corrugated structure and a straight wall structure were designed.Three types of designed structures have been successfully manufactured by laser powder bed fusion(LPBF)with NiTi powder.The LPBF-processed BHS exhibited a total porosity of 0.042% and a good dimensional accuracy with a peak deviation of 17.4μm.Microstructural analysis indicated that the LPBF-processed BHS had a strong(001)crystallographic orientation and an average size of 9.85μm.Mechanical analysis revealed the LPBF-processed BHS could withstand over 25000 times its weight without significant deformation and had the highest specific EA value(5.32 J·g^(−1))due to the absence of stress concentration and progressive wall failure during compression.Cyclic compression testing showed that LPBF-processed BHS possessed superior viscoelastic and elasticity energy dissipation capacity.Importantly,the uniform reversible phase transition from martensite to austenite in the walls enables the structure to largely recover its pre-deformation shape when heated(over 99% recovery rate).These design strategies can serve as valuable references for the development of intelligent components that possess high mechanical efficiency and shape memory capabilities. 展开更多
关键词 additive manufacturing laser powder bed fusion bionic structure CUTTLEBONE mechanical properties shape memory function
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Mechanical Properties and Electronic Structures of M(M=Ti,V,Cr,Mn and Fe)Dopedβ-Si_(3)N_(4) from First-Principle
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作者 龙敏 黄福祥 +4 位作者 XU Liangyu LI Xuemei YANG Zhou LENG Yue MEI Shini 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第3期639-644,共6页
The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters of... The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters ofβ-Si_(3)N_(4) were consistent with previous date.The cohesive energy and formation enthalpy show that initialβ-Si_(3)N_(4) has the highest structural stability.The calculated elastic constant and the Voigt-Reuss-Hill approximation indicate that elastic moduli ofβ-Si_(3)N_(4) are slightly reduced by M doping.Based on Poisson’s and Pugh’s ratio,β-Si_(3)N_(4) is a ductile material and the toughness ofβ-Si_(3)N_(4) increases with M doping,and Fe doping exhibited the best toughness.The results of density of states,charge distributions and overlapping populations indicate thatβ-Si_(3)N_(4) has the strong covalent and ionic bond strength between N and Si. 展开更多
关键词 first-principles β-Si_(3)N_(4) mechanical properties electronic structure
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Synthesis,crystal structure and photo-physical properties of tris(4-methyl-2,5-diphenylpyridine)iridium for OLED
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作者 FENG Yangyang XU Mingming +4 位作者 WANG Hongyou ZHU Yunyao LUO Yuan LEI Huaidong CHEN Honglai 《贵金属》 CAS 北大核心 2024年第3期28-32,共5页
Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent ma... Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent materials.In this paper,Ir(bmppy)_(3),tris(4-methyl-2,5-diphenylpyridine)iridium,was synthesized and elvaluted for photo-physical characteristics.Single crystals suitale for X-ray diffraction(XRD)were grown from a mixture solvent of dichloromethane and absolute ethanol.The composition and structur of Ir(bmppy)_(3)were determined by element analysis,NMR spectra and XRD.The complex crystallizes in the monoclinic symmetry with the space group P21/c with a slightly distorted octahedral configuration.As measured by UV-Visible and photoluminescence spectra,Ir(bmppy)_(3) displays a maximum emission at at 527 nm at ambient temperature,a typical green-emitting profile.The complex has potential for application in the OLED industry. 展开更多
关键词 OLED iridium complex phosphorescent material crystal structure photo-physical properties Ir(bmppy)_(3)
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Syntheses,structures,and properties of three coordination polymers based on 5⁃ethylpyridine⁃2,3⁃dicarboxylic acid and N⁃containing ligands
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作者 TANG Long BIAN Yaxin +3 位作者 CHEN Luyuan HOU Xiangyang WANG Xiao WANG Jijiang 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第10期1975-1985,共11页
Three coordination polymers[Mn(epda)(2,2'⁃bipy)(H_(2)O)](1),[Mn(epda)(phen)](2),and[Co_(2)(epda)2(bpe)2(H_(2)O)_(4)]·5H_(2)O(3)(H2epda=5⁃ethyl⁃pyridine⁃2,3⁃dicarboxylic acid,2,2'⁃bipy=2,2'⁃bipyridine,... Three coordination polymers[Mn(epda)(2,2'⁃bipy)(H_(2)O)](1),[Mn(epda)(phen)](2),and[Co_(2)(epda)2(bpe)2(H_(2)O)_(4)]·5H_(2)O(3)(H2epda=5⁃ethyl⁃pyridine⁃2,3⁃dicarboxylic acid,2,2'⁃bipy=2,2'⁃bipyridine,phen=phenanthroline,bpe=1,2⁃bis(4⁃pyridyl)ethylene)were synthesized by solvothermal reactions and characterized by single⁃crystal X⁃ray diffraction,thermogravimetric analyses,IR spectroscopy and elemental analysis.1 displays a 1D chain struc⁃ture,and these chains are joined by O-H…O hydrogen bonding andπ⁃πstacking interactions to generate a 2D layer structure.2 displays a 2D layer structure,and adjacent layers are generated 3D architecture throughπ⁃πstacking interactions.3 displays a 1D chain structure,and adjacent chains are generated double layer structure through O-H…O hydrogen bonding.The fluorescent properties of 1 and 3 indicate that they can potentially be used as a luminescent sensor.1 was highly selective and sensitive towards o⁃nitrophenol through different detection mechanisms,however,3 was highly selective and sensitive towards 2,4,6⁃trinitrophenol.In addition,the magnetic behavior of 2 has also been investigated.CCDC:2172533,1,2355773,2,2355774,3. 展开更多
关键词 coordination polymers 5⁃ethyl⁃pyridine⁃2 3⁃dicarboxylate ligand crystal structures fluorescent properties magnetic behavior
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Effects of processing parameters on fabrication defects,microstructure and mechanical properties of additive manufactured Mg–Nd–Zn–Zr alloy by selective laser melting process
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作者 Wenyu Xu Penghuai Fu +4 位作者 Nanqing Wang Lei Yang Liming Peng Juan Chen Wenjiang Ding 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第6期2249-2266,共18页
Mg–3Nd–0.2Zn–0.4Zr(NZ30K,wt.%)alloy is a new kind of high-performance metallic biomaterial.The combination of the NZ30K Magnesium(Mg)alloy and selective laser melting(SLM)process seems to be an ideal solution to pr... Mg–3Nd–0.2Zn–0.4Zr(NZ30K,wt.%)alloy is a new kind of high-performance metallic biomaterial.The combination of the NZ30K Magnesium(Mg)alloy and selective laser melting(SLM)process seems to be an ideal solution to produce porous Mg degradable implants.However,the microstructure evolution and mechanical properties of the SLMed NZ30K Mg alloy were not yet studied systematically.Therefore,the fabrication defects,microstructure,and mechanical properties of the SLMed NZ30K alloy under different processing parameters were investigated.The results show that there are two types of fabrication defects in the SLMed NZ30K alloy,gas pores and unfused defects.With the increase of the laser energy density,the porosity sharply decreases to the minimum first and then slightly increases.The minimum porosity is 0.49±0.18%.While the microstructure varies from the large grains with lamellar structure inside under low laser energy density,to the large grains with lamellar structure inside&the equiaxed grains&the columnar grains under middle laser energy density,and further to the fine equiaxed grains&the columnar grains under high laser energy density.The lamellar structure in the large grain is a newly observed microstructure for the NZ30K Mg alloy.Higher laser energy density leads to finer grains,which enhance all the yield strength(YS),ultimate tensile strength(UTS)and elongation,and the best comprehensive mechanical properties obtained are YS of 266±2.1 MPa,UTS of 296±5.2 MPa,with an elongation of 4.9±0.68%.The SLMed NZ30K Mg alloy with a bimodal-grained structure consisting of fine equiaxed grains and coarser columnar grains has better elongation and a yield drop phenomenon. 展开更多
关键词 Selective laser melting Mg alloy Processing parameter Lamellar structure Bimodal-grained structure
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First principles investigation of binary intermetallics in Mg-Al-Ca-Sn alloy:Stability,electronic structures,elastic properties and thermodynamic properties 被引量:8
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作者 王峰 孙士杰 +3 位作者 于波 张峰 毛萍莉 刘正 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2016年第1期203-212,共10页
The structural stability, electronic structures, elastic properties and thermodynamic properties of the main binary phases Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca in Mg-Al-Ca-Sn alloy were determined from the ... The structural stability, electronic structures, elastic properties and thermodynamic properties of the main binary phases Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca in Mg-Al-Ca-Sn alloy were determined from the first-principles calculation. The calculated lattice parameters are in good agreement with the experimental and literature values. The calculated heats of formation and cohesive energies show that Al_2Ca has the strongest alloying ability and structural stability. The densities of states(DOS), Mulliken electron occupation number, metallicity and charge density difference of these compounds are given. The elastic constants of Mg_(17)Al_(12), Al_2Ca, Mg_2 Sn and Mg_2 Ca phases are calculated, and the bulk moduli, shear moduli, elastic moduli and Poisson ratio are derived. The calculations of thermodynamic properties show that the Gibbs free energies of Al_2Ca and Mg_2 Sn are lower than that of Mg_(17)Al_(12), which indicates that Al_2Ca and Mg_2 Sn are more stable than Mg_(17)Al_(12) phase. Hence, the heat resistance of Mg-Al-based alloys can be improved by adding Ca and Sn additions. 展开更多
关键词 Mg-Al alloy first-principles calculation electronic structure elastic properties thermodynamic properties
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Investigation of Microstructure, Microhardness and Thermal Properties of Ag-In Intermetallic Alloys Prepared by Vacuum Arc Meltings
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作者 ÇELİK Erçevik ATA ESENER Pınar +1 位作者 ÖZTÜRK Esra AKSÖZ Sezen 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第1期182-187,共6页
Ag-In intermetallic alloys were produced by using vacuum arc furnace. Differential Scanning Calorimetry(DSC) and Energy Dispersive X-Ray Spectrometry(EDX) were used to determine the thermal properties and chemical com... Ag-In intermetallic alloys were produced by using vacuum arc furnace. Differential Scanning Calorimetry(DSC) and Energy Dispersive X-Ray Spectrometry(EDX) were used to determine the thermal properties and chemical composition of the phases respectively. Microhardness values of Ag-In intermetallics were calculated with Vickers hardness measurement method. According to the experimental results, Ag-34 wt%In intermetallic system generated the best results of energy saving and storage compared to other intermetallic systems. Also from the microhardness results, it was observed that intermetallic alloys were harder than pure silver and Ag-26 wt%In system had the highest microhardness value with 143.45 kg/mm^(2). 展开更多
关键词 thermal properties microstructure characterization MICROHARDNESS ALLOYS material characterization
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Improvement of Microstructure and Mechanical Properties of Rapid Cooling Friction Stir-welded A1050 Pure Aluminum
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作者 许楠 LIU Lutao +2 位作者 SONG Qining ZHAO Jianhua BAO Yefeng 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第1期134-141,共8页
Two-mm thick A1050 pure aluminum plates were successfully joined by conventional and rapid cooling friction stir welding(FSW), respectively. The microstructure and mechanical properties of the welded joints were inves... Two-mm thick A1050 pure aluminum plates were successfully joined by conventional and rapid cooling friction stir welding(FSW), respectively. The microstructure and mechanical properties of the welded joints were investigated by electron backscatter diffraction characterization, Vickers hardness measurements, and tensile testing. The results showed that liquid CO_(2) coolant significantly reduced the peak temperature and increased the cooling rate, so the rapidly cooled FSW joint exhibited fine grains with a large number of dislocations. The grain refinement mechanism of the FSW A1050 pure aluminum joint was primarily attributed to the combined effects of continuous dynamic recrystallization, grain subdivision, and geometric dynamic recrystallization. Compared with conventional FSW, the yield strength, ultimate tensile strength, and fracture elongation of rapidly cooled FSW joint were significantly enhanced, and the welding efficiency was increased from 80% to 93%. The enhanced mechanical properties and improved synergy of strength and ductility were obtained due to the increased dislocation density and remarkable grain refinement. The wear of the tool can produce several WC particles retained in the joint, and the contribution of second phase strengthening to the enhanced strength should not be ignored. 展开更多
关键词 aluminum alloy friction stir welding RECRYSTALLIZATION microstructure mechanical properties
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Effect of Mn addition on microstructure and mechanical properties of GX40CrNiSi25-12 austenitic heat resistant steel
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作者 Guan-yu Jiang Meng-wu Wu +2 位作者 Xiao-guang Yang Hui Wang Yu-yuan Zhu 《China Foundry》 SCIE EI CAS CSCD 2024年第3期205-212,共8页
Three types of steels were designed on the basis of GX40CrNiSi25-12 austenitic heat resistant steel by adding different Mn contents(2wt.%,6wt.%,and 12wt.%).Thermodynamic calculation,microstructure characterization and... Three types of steels were designed on the basis of GX40CrNiSi25-12 austenitic heat resistant steel by adding different Mn contents(2wt.%,6wt.%,and 12wt.%).Thermodynamic calculation,microstructure characterization and mechanical property tests were conducted to investigate the effect of Mn addition on the microstructure and mechanical properties of the austenitic heat resistant steel.Results show that the matrix structure in all the three types of steels at room temperature is completely austenite.Carbides NbC and M_(23)C_(6)precipitate at grain boundaries of austenite matrix.With the increase of Mn content,the number of carbides increases and their distribution becomes more uniform.With the Mn content increases from 1.99%to 12.06%,the ultimate tensile strength,yield strength and elongation increase by 14.6%,8.0%and 46.3%,respectively.The improvement of the mechanical properties of austenitic steels can be explained by utilizing classic theories of alloy strengthening,including solid solution strengthening,precipitation strengthening,and grain refinement.The increase in alloy strength can be attributed to solid solution strengthening and precipitation strengthening caused by the addition of Mn.The improvement of the plasticity of austenitic steels can be explained from two aspects:grain refinement and homogenization of precipitated phases. 展开更多
关键词 austenitic heat resistant steel MANGANESE MICROstructure mechanical properties
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Microstructure and mechanical properties stability of pre-hardening treatment in Al-Cu alloys for pre-hardening forming process
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作者 Liping Tang Pengfei Wei +1 位作者 Zhili Hu Qiu Pang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第3期539-551,共13页
The stability of the microstructure and mechanical properties of the pre-hardened sheets during the pre-hardening forming(PHF)process directly determines the quality of the formed components.The microstructure stabili... The stability of the microstructure and mechanical properties of the pre-hardened sheets during the pre-hardening forming(PHF)process directly determines the quality of the formed components.The microstructure stability of the pre-hardened sheets was in-vestigated by differential scanning calorimetry(DSC),transmission electron microscopy(TEM),and small angle X-ray scattering(SAXS),while the mechanical properties and formability were analyzed through uniaxial tensile tests and formability tests.The results in-dicate that the mechanical properties of the pre-hardened alloys exhibited negligible changes after experiencing 1-month natural aging(NA).The deviations of ultimate tensile strength(UTS),yield strength(YS),and sheet formability(Erichsen value)are all less than 2%.Also,after different NA time(from 48 h to 1 month)is applied to alloys before pre-hardening treatment,the pre-hardened alloys possess stable microstructure and mechanical properties as well.Interestingly,with the extension of NA time before pre-hardening treatment from 48 h to 1 month,the contribution of NA to the pre-hardening treatment is limited.Only a yield strength increment of 20 MPa is achieved,with no loss in elongation.The limited enhancement is mainly attributed to the fact that only a limited number of clusters are transformed into Guinier-Preston(GP)zones at the early stage of pre-hardening treatment,and the formation ofθ''phase inhibits the nucleation and growth of GP zones as the precipitated phase evolves. 展开更多
关键词 Al-Cu alloy pre-hardened alloy natural aging mechanical properties MICROstructure
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Role of alloying and heat treatment on microstructure and mechanical properties of cast Al-Li alloys:A review
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作者 Guo-hua Wu You-jie Guo +4 位作者 Fang-zhou Qi Shen Zhang Yi-xiao Wang Xin Tong Liang Zhang 《China Foundry》 SCIE EI CAS CSCD 2024年第5期445-460,共16页
Due to the prominent advantages of low density,high elastic modulus,high specific strength and specific stiffness,cast Al-Li alloys are suitable metallic materials for manufacturing complex large-sized components and ... Due to the prominent advantages of low density,high elastic modulus,high specific strength and specific stiffness,cast Al-Li alloys are suitable metallic materials for manufacturing complex large-sized components and are ideal structural materials for aerospace,defense and military industries.On the basis of the microstructural characteristics of cast Al-Li alloys,exploring the role of alloying and micro-alloying can stabilize their dominant position and further expand their application scope.In this review,the development progress of cast Al-Li alloys was summarized comprehensively.According to the latest research highlights,the influence of alloying and heat treatment on the microstructure and mechanical properties was systematically analyzed.The potential methods to improve the alloy performance were concluded.In response to the practical engineering requirements of cast Al-Li alloys,the scientific challenges and future research directions were discussed and prospected. 展开更多
关键词 cast Al-Li alloy ALLOYING microstructure mechanical properties heat treatment
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