The excellent irradiation resistance,high strength and plasticity exhibited by high-entropy alloys(HEAs)make it candidate for engin-eering applications.Diffusion bonding of Al_(0.3)CoCrFeNi single-phase HEAs was carri...The excellent irradiation resistance,high strength and plasticity exhibited by high-entropy alloys(HEAs)make it candidate for engin-eering applications.Diffusion bonding of Al_(0.3)CoCrFeNi single-phase HEAs was carried out using electric-assisted diffusion bonding(EADB),and the effect of bonding temperature on the evolution of the interfacial microstructure and the mechanical properties was investigated.The results indicate that as the bonding temperature increases,the pores at the interface gradually decrease in size and undergo closure.The electric current significantly promotes the pore closure mechanism dominated by plastic deformation at the diffusion interface and promotes the recrystallisation behavior at the interface,and the fracture mode changes from intergranular fracture at the interface to jagged fracture along the grains spanning the weld parent material.Due to the activation effect of EADB,higher-strength diffusion bonding of high-entropy alloys can be achieved at the same temperature compared with the conventional hot-pressure diffusion bonding(HPDB)process.展开更多
Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemi...Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).展开更多
Surface tension-induced shrinkage of heterogeneously bonded interfaces is a key factor in limiting the performance of nanostructures.Herein,we demonstrate a laser-induced thermo-compression bonding technology to suppr...Surface tension-induced shrinkage of heterogeneously bonded interfaces is a key factor in limiting the performance of nanostructures.Herein,we demonstrate a laser-induced thermo-compression bonding technology to suppress surface tension-induced shrinkage of Cu-Au bonded interface.A focused laser beam is used to apply localized heating and scattering force to the exposed Cu nanowire.The laser-induced scattering force and the heating can be adjusted by regulating the exposure intensity.When the ratio of scattering forces to the gravity of the exposed nanowire reaches 3.6×10^(3),the molten Cu nanowire is compressed into flattened shape rather than shrinking into nanosphere by the surface tension.As a result,the Cu-Au bonding interface is broadened fourfold by the scattering force,leading to a reduction in contact resistance of approximately 56%.This noncontact thermo-compression bonding technology provides significant possibilities for the interconnect packaging and integration of nanodevices.展开更多
Due to its superior nanoscale properties,cobalt(Co)is highly desirable for ultrahigh-density 3D integration into materials through metal/dielectric hybrid bonding.However,this process is very challenging through Co/Si...Due to its superior nanoscale properties,cobalt(Co)is highly desirable for ultrahigh-density 3D integration into materials through metal/dielectric hybrid bonding.However,this process is very challenging through Co/SiO_(2)hybrid bonding,as very hydrophilic SiO_(2)surfaces are needed for bonding during dehydration reactions and oxidation of the Co surfaces must be avoided.Additionally,the substantial coefficient of thermal expansion mismatch between the robust capping layers(Co and SiO_(2)layers)necessitates hybrid bonding with minimal thermal input and compression.In this study,we introduce a ternary plasma activation strategy employing an Ar/NH_(3)/H_(2)O gas mixture to facilitate Co/SiO_(2)hybrid bonding at temperatures as low as~200℃,which is markedly lower than the melting point of Co(~1500℃).Intriguingly,non-oxide metallization at the Co-Co interface can be realized without the hindrance of a bonding barrier,thereby reducing the electrical resistance by over 40%and compression force requirements.Moreover,the enhancement in the SiO_(2)surface energy through active group terminations fosters extensive interfacial hydration and strengthens the mechanical properties.This research paves the way for fine-tuning bonding surfaces using a material-selective strategy which should advance metal/dielectric hybrid bonding for future integration applications.展开更多
Interfacial evolution and bonding mechanism of reduced activation ferritic/martensitic(RAFM)steel were systematically investigated through a series of hot compression tests conducted at various strains(0.15-0.8),strai...Interfacial evolution and bonding mechanism of reduced activation ferritic/martensitic(RAFM)steel were systematically investigated through a series of hot compression tests conducted at various strains(0.15-0.8),strain rates(0.001-1 s^(-1)),and temperatures(950-1050℃).Interfacial microstructural analysis revealed that plastic deformation of surface asperities effectively removes interfacial voids,and the evolution of dynamic recrystallization(DRX)aids in achieving a joint characterized by homogeneously refined microstructure and adequate interfacial grain boundary(IGB)migration.Electron backscattered diffraction analysis demonstrated that the continuous dynamic recrystallization,characterized by progressive subgrain rotation,is the prevailing DRX nucleation mechanism in RAFM steel during hot compression bonding.During DRX evolution,emerging DRX grains in the interfacial region expand into adjacent areas,transforming T-type triple junction grain boundaries into equal form,and resulting in a serrated and intricate interface.Elevated temperatures and strains,coupled with reduced strain rates,augment DRX grain nucleation and IGB migration,thus enhancing RAFM joint quality with regard to the interface bonding ratio and the interface migration ratio.展开更多
Flexible strain sensors have received tremendous attention because of their potential applications as wearable sensing devices.However, the integration of key functions into a single sensor, such as high stretchabilit...Flexible strain sensors have received tremendous attention because of their potential applications as wearable sensing devices.However, the integration of key functions into a single sensor, such as high stretchability, low hysteresis, self-adhesion, andexcellent antifreezing performance, remains an unmet challenge. In this respect, zwitterionic hydrogels have emerged asideal material candidates for breaking through the above dilemma. The mechanical properties of most reported zwitterionichydrogels, however, are relatively poor, significantly restricting their use under load-bearing conditions. Traditional improve-ment approaches often involve complex preparation processes, making large-scale production challenging. Additionally,zwitterionic hydrogels prepared with chemical crosslinkers are typically fragile and prone to irreversible deformation underlarge strains, resulting in the slow recovery of structure and function. To fundamentally enhance the mechanical properties ofpure zwitterionic hydrogels, the most effective approach is the regulation of the chemical structure of zwitterionic monomersthrough a targeted design strategy. This study employed a novel zwitterionic monomer carboxybetaine urethane acrylate(CBUTA), which contained one urethane group and one carboxybetaine group on its side chain. Through the direct polym-erization of ultrahigh concentration monomer solutions without adding any chemical crosslinker, we successfully developedpure zwitterionic supramolecular hydrogels with significantly enhanced mechanical properties, self-adhesive behavior, andantifreezing performance. Most importantly, the resultant zwitterionic hydrogels exhibited high tensile strength and tough-ness and displayed ultralow hysteresis under strain conditions up to 1100%. This outstanding performance was attributedto the unique liquid–liquid phase separation phenomenon induced by the ultrahigh concentration of CBUTA monomers inan aqueous solution, as well as the enhanced polymer chain entanglement and the strong hydrogen bonds between urethanegroups on the side chains. The potential application of hydrogels in strain sensors and high-performance triboelectric nano-generators was further explored. Overall, this work provides a promising strategy for developing pure zwitterionic hydrogelsfor flexible strain sensors and self-powered electronic devices.展开更多
Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-...Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-based membranes.Herein,we firstly reported the incorporation of protic ILs (PILs) having ether-rich and carboxylate sites (ECPILs) into poly(ether-block-amide)(Pebax) matrix for efficient separation H_(2)S and CO_(2)from CH_(4).Notably,the optimal permeability of H_(2)S reaches up to 4310 Barrer (40C,0.50 bar) in Pebax/ECPIL membranes,along with H_(2)S/CH_(4)and (H_(2)StCO_(2))/CH_(4)selectivity of 97.7 and 112.3,respectively.These values are increased by 1125%,160.8%and 145.9%compared to those in neat Pebax membrane.Additionally,the solubility and diffusion coefficients of the gases were measured,demonstrating that ECPIL can simultaneously strengthen the dissolution and diffusion of H_(2)S and CO_(2),thus elevating the permeability and permselectivity.By using quantum chemical calculations and FT-IR spectroscopy,the highly reversible multi-site hydrogen bonding interaction between ECPILs and H_(2)S was revealed,which is responsible for the fast permeation of H_(2)S and good selectivity.Furthermore,H_(2)S/CO_(2)/CH_(4)(3/3/94 mol/mol) ternary mixed gas can be efficiently and stably separated by Pebax/ECPIL membrane for at least 100 h.Overall,this work not only illustrates that PILs with ether-rich and carboxylate hydrogen bonding sites are outstanding materials for simultaneous removal of H_(2)S and CO_(2),but may also provide a novel insight into the design of membrane materials for natural gas upgrading.展开更多
In this paper,the work hardening and softening behavior of AZ31 magnesium alloy sheets by hard plate accumulative roll bonding(HP-ARB)process in a specific temperature range was studied for the first time,and the cycl...In this paper,the work hardening and softening behavior of AZ31 magnesium alloy sheets by hard plate accumulative roll bonding(HP-ARB)process in a specific temperature range was studied for the first time,and the cyclic stress relaxation test,EBSD,TEM and other characterization methods were used.When the rolling temperature is 350℃,the grain size of magnesium sheets is refined to 4.32(±0.36)μm on average,and it shows an excellent combination of strength and plasticity.The tensile strength reaches 307(±8.52)MPa and the elongation is 12.73(±0.84)%.At this time,the curve of work hardening rate decreases smoothly and the degree of hardening is the lowest,and the amplitude of stress drop △σ_(p) in work softening test is the smallest with the increase of cycle times,which shows that the well coordination between work hardening and softening behavior has been achieved.Research has found that the combined effect of grain boundary strengthening and fine grain strengthening enhances the yield and tensile strength of magnesium sheets after three passes HP-ARB process at 350℃.This is attributed to the high degree of dislocation slip opening in the pyramidal surfaceand<c+a>,which not only coordinates the c-axis strain of the entire grain,but also promotes the slip transfer of dislocations in the fine-grained region,significantly improving the elongation of the sheets.This study provides a new idea for the forming and manufacturing of high performance magnesium alloy sheets.展开更多
This study investigates the bond performance at the interfacial region shared by Ultra-High Performance Concrete(UHPC)and steel tubes through push-out tests.This study examines how changes in steel fiber volumetric ra...This study investigates the bond performance at the interfacial region shared by Ultra-High Performance Concrete(UHPC)and steel tubes through push-out tests.This study examines how changes in steel fiber volumetric ratio and thickness of steel tube influence the bond strength characteristics.The results show that as the enhancement of the steel tube wall thickness,the ultimate bond strength at the interface improves significantly,whereas the initial bond strength exhibits only slight variations.The influence of steel fiber volumetric ratio presents a nonlinear trend,with initial bond strength decreasing at low fiber content and increasing significantly as fiber content rises.Additionally,finite element(FE)simulations were applied to replicate the experimental conditions,and the outcomes showed strong correlation with the experimental data,confirming the exactitude of the FE model in predicting the bond behavior at the UHPC-Steel interface.These findings provide valuable insights for optimizing the design of UHPC-Filled steel tubes in high-performance structure.展开更多
Large interfacial strains in particles are crucial for promoting bonding in cold spraying(CS),initiated either by adiabatic shear instability(ASI)due to softening prevailing over strain hardening or by hydrostatic pla...Large interfacial strains in particles are crucial for promoting bonding in cold spraying(CS),initiated either by adiabatic shear instability(ASI)due to softening prevailing over strain hardening or by hydrostatic plasticity,which is claimed to promote bonding even without ASI.A thorough microstructural analysis is vital to fully understand the bonding mechanisms at play during microparticle impacts and throughout the CS process.In this study,the HEA CoCrFeMnNi,known for its relatively high strain hardening and resistance to softening,was selected to investigate the microstructure characteristics and bonding mech-anisms in CS.This study used characterization techniques covering a range of length scales,including electron channeling contrast imaging(ECCI),electron backscatter diffraction(EBSD),and high-resolution transmission microscopy(HR-TEM),to explore the microstructure characteristics of bonding and overall structure development of CoCrFeMnNi microparticles after impact in CS.HR-TEM lamellae were prepared using focused ion beam milling.Additionally,the effects of deformation field variables on microstructure development were determined through finite element modeling(FEM)of microparticle impacts.The ECCI,EBSD,and HR-TEM analyses revealed an interplay between dislocation-driven processes and twinning,leading to the development of four distinct deformation microstructures.Significant grain refinement occurs at the interface through continuous dynamic recrystallization(CDRX)due to high strain and temperature rise from adiabatic deformation,signs of softening,and ASI.Near the interface,a necklace-like structure of refined grains forms around grain boundaries,along with elongated grains,resulting from the coexistence of dynamic recovery and discontinuous dynamic recrystallization(DDRX)due to lower temperature rise and strain.Towards the particle or substrate interior,concurrent twinning and dislocation-mediated mechanisms refine the structure,forming straight,curved,and intersected twins.At the top of the particles,only deformed grains with a low dislocation density are observed.Our results showed that DRX induces microstructure softening in highly strained interface areas,facilitating atomic bonding in CoCrFeMnNi.HR-TEM investigation confirms the formation of atomic bonds between particles and substrate,with a gradual change in crystal lattice orientation from the particle to the substrate and the occurrence of some misfit dislocations and vacancies at the interface.Finally,the findings of this research suggest that softening and ASI,even in materials resistant to softening,are required to establish bonding in CS.展开更多
AZ31/Al/Ta composites were prepared using the vacuum hot compression bonding(VHCB)method.The effect of hot compressing temperature on the interface microstructure evolution,phase constitution,and shear strength at the...AZ31/Al/Ta composites were prepared using the vacuum hot compression bonding(VHCB)method.The effect of hot compressing temperature on the interface microstructure evolution,phase constitution,and shear strength at the interface was investigated.Moreover,the interface bonding mechanisms of the AZ31/Al/Ta composites during the VHCB process were explored.The results demonstrate that as the VHCB temperature increases,the phase composition of the interface between Mg and Al changes from the Mg-Al brittle intermetallic compounds(Al_(12)Mg_(17)and Al_(3)Mg_(2))to the Al-Mg solid solution.Meanwhile,the width of the Al/Ta interface diffusion layer at 450℃increases compared to that at 400℃.The shear strengths are 24 and 46 MPa at 400 and 450℃,respectively.The interfacial bonding mechanism of AZ31/Al/Ta composites involves the coexistence of diffusion and mechanical meshing.Avoiding the formation of brittle phases at the interface can significantly improve interfacial bonding strength.展开更多
The bonding interface characteristic and shear strength of diffusion bonded Ti-17 titanium alloy at different bonding time were investigated. The results show that the average size of voids decreases while the amount ...The bonding interface characteristic and shear strength of diffusion bonded Ti-17 titanium alloy at different bonding time were investigated. The results show that the average size of voids decreases while the amount of voids decreases after increasing to the maximum value with the increasing bonding time. The irregular void with a scraggly edge tends to an ellipse void with smooth surface and then changes to a tiny void with round shape. The grains across bonding interface occur at bonding time of 60 min. The shear strength of bond increases with increasing bonding time, and the highest shear strength of bond is 887.4 MPa at 60 min. The contribution of plastic deformation on the void closure and the increase of shear strength is significant even though the action time of plastic deformation is short.展开更多
The effect of grain size of primary α phase on the bonding interface characteristic and shear strength of bond was investigated in the press bonding of Ti-6Al-4V alloy. The quantitative results show that the average ...The effect of grain size of primary α phase on the bonding interface characteristic and shear strength of bond was investigated in the press bonding of Ti-6Al-4V alloy. The quantitative results show that the average size of voids increases from 0.8 to 2.6 μm and the bonding ratio decreases from 90.9% to 77.8% with an increase in grain size of primary α phase from 8.2 to 16.4 μm. The shape of voids changes from the tiny round to the irregular strip. The highest shear strength of bond can be obtained in the Ti-6Al-4V alloy with a grain size of 8.2 μm. This is contributed to the higher ability of plastic flow and more short-paths for diffusion in the alloy with smaller grain size of primary α phase, which promote the void closure process and the formation of α/β grains across bonding interface.展开更多
Bonding quality at the interface of solid propellant grains is crucial for the reliability and safety of solid rocket motors.Although bonding reliability is influenced by numerous factors,the lack of quantitative char...Bonding quality at the interface of solid propellant grains is crucial for the reliability and safety of solid rocket motors.Although bonding reliability is influenced by numerous factors,the lack of quantitative characterization of interface debonding mechanisms and the challenge of identifying key factors have made precise control of process variables difficult,resulting in unpredictable failure risks.This paper presents an improved fuzzy failure probability evaluation method that combines fuzzy fault tree analysis with expert knowledge,transforming process data into fuzzy failure probability to accurately assess debonding probabilities.The predictive model is constructed through a general regression neural network and optimized using the particle swarm optimization algorithm.Sensitivity analysis is conducted to identify key decision variables,including normal force,grain rotation speed,and adhesive weight,which are verified experimentally.Compared with classical models,the maximum error margin of the constructed reliability prediction model is only 0.02%,and it has high stability.The experimental results indicate that the main factors affecting debonding are processing roughness and coating uniformity.Controlling the key decision variable as the median resulted in a maximum increase of 200.7%in bonding strength.The feasibility of the improved method has been verified,confirming that identifying key decision variables has the ability to improve bonding reliability.The proposed method simplifies the evaluation of propellant interface bonding reliability under complex conditions by quantifying the relationship between process parameters and failure risk,enabling targeted management of key decision variables.展开更多
Effect of flip chip bonding parameters on microstructure at the interconnect interface and shear properties of 64.8Sn35.2Pb microbumps were investigated in this work.Results show that the main intermetallic compound(I...Effect of flip chip bonding parameters on microstructure at the interconnect interface and shear properties of 64.8Sn35.2Pb microbumps were investigated in this work.Results show that the main intermetallic compound(IMC)at the interconnect interface is(Ni,Cu)_(3)Sn_(4)phase,and meanwhile a small amount of(Cu,Ni)_(6)Sn_(5)phase with a size of 50−100 nm is formed around(Ni,Cu)_(3)Sn_(4)phase.The orientation relationship of[-1-56](Ni,Cu)_(3)Sn_(4)//[152](Cu,Ni)_(6)Sn_(5)and(601)(Ni,Cu)_(3)Sn_(4)//(-201)(Cu,Ni)_(6)Sn_(5)is found between these two phases,and the atomic matching at the interface of the two phases is low.The highest shear force of 77.3 gf is achieved in the 64.8Sn35.2Pb microbump at the peak temperature of 250℃and parameter V1 because dense IMCs and no cracks form at the interconnect interface.Two typical fracture modes of microbumps are determined as solder fracture and mixed fracture.The high thermal stress presenting in the thick IMCs layer induces crack initiation,and cracks propagate along theα/βphase boundaries in the Sn-Pb solder under shear force,leading to a mixed fracture mode in the microbumps.展开更多
This study focused on the various surface treatments of grinding,Na OH etching,HCl pickling,micro-arc oxidation and anodic oxidation to strengthen adhesive bonding joint of Aluminum(Al)substrate and Carbon Fiber Reinf...This study focused on the various surface treatments of grinding,Na OH etching,HCl pickling,micro-arc oxidation and anodic oxidation to strengthen adhesive bonding joint of Aluminum(Al)substrate and Carbon Fiber Reinforced Plastics(CFRP).Different surface conditions were created by these treatments and simple Resin Pre-Coating(RPC)technique was further used to reduce the potential void defects at the root of those micro-cavities.Carbon Nanotubes(CNTs)were guided into the etched micro-cavities to construct quasi-Z-directional fiber bridging and form the“CNT-reinforced epoxy-pins”.The surface performance testing results imply that anodic oxidation of Al substrate created relatively even and continuous channels with higher hardness and better wettability among these treatments,which could provide quasi-vertical spaces for containing epoxy adhesive or CNTs.The single lap shear test results show combined treatments of anodic oxidation and upgraded RPC with CNTs technique on Al substrate yielded the highest bonding strength of 21.8 MPa(up to 243.3% greater than base strength).The constructed through-the-thickness“epoxy-pins”or“CNT-reinforced epoxy-pins”contributed to failure modes changing from complete debonding failure of Al substrate to peeled-off shallow fiber or delamination failure of CFRP panel.The combined treatments could be utilized to manufacture high-performance Al-CFRP composites for aviation industry application.展开更多
Magnesium alloys have gained extensive applications across various industries,including aerospace,transportation,and civil construction,owing to their excellent combinations of high specific strength and stiffness[1]....Magnesium alloys have gained extensive applications across various industries,including aerospace,transportation,and civil construction,owing to their excellent combinations of high specific strength and stiffness[1].However,their lim-ited strength due to the lack of effective strengthening phases has hindered their broader industrial applications[2].Never-theless,it has been challenging to achieve significant strength-ening due to the restricted solubility of alloying elements in magnesium[3].Thus,more and more efforts have been made to explore the concept of secondary phase-reinforced magne-sium alloys[2,4,5],where the secondary phase acts as re-inforcing agents within the magnesium matrix,resembling a composite material.展开更多
In this study, to meet the development and application requirements for high-strength and hightoughness energetic structural materials, a representative volume element of a TA15 matrix embedded with a TaZrNb sphere wa...In this study, to meet the development and application requirements for high-strength and hightoughness energetic structural materials, a representative volume element of a TA15 matrix embedded with a TaZrNb sphere was designed and fabricated via diffusion bonding. The mechanisms of the microstructural evolution of the TaZrNb/TA15 interface were investigated via SEM, EBSD, EDS, and XRD.Interface mechanical property tests and in-situ tensile tests were conducted on the sphere-containing structure, and an equivalent tensile-strength model was established for the structure. The results revealed that the TA15 titanium alloy and joint had high density and no pores or cracks. The thickness of the planar joint was approximately 50-60 μm. The average tensile and shear strengths were 767 MPa and 608 MPa, respectively. The thickness of the spherical joint was approximately 60 μm. The Zr and Nb elements in the joint diffused uniformly and formed strong bonds with Ti without forming intermetallic compounds. The interface exhibited submicron grain refinement and a concave-convex interlocking structure. The tensile fracture surface primarily exhibited intergranular fracture combined with some transgranular fracture, which constituted a quasi-brittle fracture mode. The shear fracture surface exhibited brittle fracture with regular arrangements of furrows. Internal fracture occurred along the spherical interface, as revealed by advanced in-situ X-ray microcomputed tomography. The experimental results agreed well with the theoretical predictions, indicating that the high-strength interface contributes to the overall strength and toughness of the sphere-containing structure.展开更多
Layered rare-earth metal oxides,harnessing the dual properties of oxides and two-dimensional layered materials,exhibit remarkable thermal stability and quantum confinement effects.Therefore,this work adopts the first-...Layered rare-earth metal oxides,harnessing the dual properties of oxides and two-dimensional layered materials,exhibit remarkable thermal stability and quantum confinement effects.Therefore,this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound.The coexistence of weak interlayer van der Waals interactions,robust intralayer ionic bonding,and partial covalent bonding leads to remarkable bonding heterogeneity,which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction.The weakened chemical bonds induced by the antibonding states,together with the rattling-like behavior of the Zn atom,culminate in the profound anharmonicity in the layered NdZnSbO compound.The weakening bond and heavy element contribute to the softness of phonon modes,which significantly diminishes the phonon group velocity.The redistribution-dominated four-phonon scattering process spans a large optical gap,which effectively reduces the lattice thermal conductivity.The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06)functional in combination with spin–orbit coupling(SOC)effect.The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy,thus amplifying the power factor.Consequently,an optimal figure-of-merit(ZT)of 3.40 at 900 K is achieved for the n-type NdZnSbO compound.The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.展开更多
基金support from National Natural Science Foundation of China(NSFC,Grant numbers U22A20185,U21A20128,52175302 and 52305353)Aeronautical Science Foundation(ASFC-20230036077001)Fundamental Research Funds for the Central Universities(2022FRFK060009,HIT.DZI1.2023012).
文摘The excellent irradiation resistance,high strength and plasticity exhibited by high-entropy alloys(HEAs)make it candidate for engin-eering applications.Diffusion bonding of Al_(0.3)CoCrFeNi single-phase HEAs was carried out using electric-assisted diffusion bonding(EADB),and the effect of bonding temperature on the evolution of the interfacial microstructure and the mechanical properties was investigated.The results indicate that as the bonding temperature increases,the pores at the interface gradually decrease in size and undergo closure.The electric current significantly promotes the pore closure mechanism dominated by plastic deformation at the diffusion interface and promotes the recrystallisation behavior at the interface,and the fracture mode changes from intergranular fracture at the interface to jagged fracture along the grains spanning the weld parent material.Due to the activation effect of EADB,higher-strength diffusion bonding of high-entropy alloys can be achieved at the same temperature compared with the conventional hot-pressure diffusion bonding(HPDB)process.
文摘Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).
基金supported by the National Natural Science Foundation of China(Nos.52305612 and U20A6004)Open Fund of Hubei Key Laboratory of Electronic Manufacturing and Packaging Integration(Wuhan University)(NO.EMPI2023015).
文摘Surface tension-induced shrinkage of heterogeneously bonded interfaces is a key factor in limiting the performance of nanostructures.Herein,we demonstrate a laser-induced thermo-compression bonding technology to suppress surface tension-induced shrinkage of Cu-Au bonded interface.A focused laser beam is used to apply localized heating and scattering force to the exposed Cu nanowire.The laser-induced scattering force and the heating can be adjusted by regulating the exposure intensity.When the ratio of scattering forces to the gravity of the exposed nanowire reaches 3.6×10^(3),the molten Cu nanowire is compressed into flattened shape rather than shrinking into nanosphere by the surface tension.As a result,the Cu-Au bonding interface is broadened fourfold by the scattering force,leading to a reduction in contact resistance of approximately 56%.This noncontact thermo-compression bonding technology provides significant possibilities for the interconnect packaging and integration of nanodevices.
基金supported by the National Natural Science Foundation of China(Grant Nos.92164105 and 51975151)the Heilongjiang Provincial Natural Science Foundation of China under grant LH2019E041+1 种基金the Heilongjiang Touyan Innovation Team Program(HITTY-20190013)State Key Laboratory of Precision Welding&Joining of Materials and Structures(No.24-T-04)。
文摘Due to its superior nanoscale properties,cobalt(Co)is highly desirable for ultrahigh-density 3D integration into materials through metal/dielectric hybrid bonding.However,this process is very challenging through Co/SiO_(2)hybrid bonding,as very hydrophilic SiO_(2)surfaces are needed for bonding during dehydration reactions and oxidation of the Co surfaces must be avoided.Additionally,the substantial coefficient of thermal expansion mismatch between the robust capping layers(Co and SiO_(2)layers)necessitates hybrid bonding with minimal thermal input and compression.In this study,we introduce a ternary plasma activation strategy employing an Ar/NH_(3)/H_(2)O gas mixture to facilitate Co/SiO_(2)hybrid bonding at temperatures as low as~200℃,which is markedly lower than the melting point of Co(~1500℃).Intriguingly,non-oxide metallization at the Co-Co interface can be realized without the hindrance of a bonding barrier,thereby reducing the electrical resistance by over 40%and compression force requirements.Moreover,the enhancement in the SiO_(2)surface energy through active group terminations fosters extensive interfacial hydration and strengthens the mechanical properties.This research paves the way for fine-tuning bonding surfaces using a material-selective strategy which should advance metal/dielectric hybrid bonding for future integration applications.
基金The authors are grateful to the National Natural Science Foundation of China(Grant Nos.52034004 and 52271111)the National Key R&D Program of China(2022YFB3705300)for grant and financial support.
文摘Interfacial evolution and bonding mechanism of reduced activation ferritic/martensitic(RAFM)steel were systematically investigated through a series of hot compression tests conducted at various strains(0.15-0.8),strain rates(0.001-1 s^(-1)),and temperatures(950-1050℃).Interfacial microstructural analysis revealed that plastic deformation of surface asperities effectively removes interfacial voids,and the evolution of dynamic recrystallization(DRX)aids in achieving a joint characterized by homogeneously refined microstructure and adequate interfacial grain boundary(IGB)migration.Electron backscattered diffraction analysis demonstrated that the continuous dynamic recrystallization,characterized by progressive subgrain rotation,is the prevailing DRX nucleation mechanism in RAFM steel during hot compression bonding.During DRX evolution,emerging DRX grains in the interfacial region expand into adjacent areas,transforming T-type triple junction grain boundaries into equal form,and resulting in a serrated and intricate interface.Elevated temperatures and strains,coupled with reduced strain rates,augment DRX grain nucleation and IGB migration,thus enhancing RAFM joint quality with regard to the interface bonding ratio and the interface migration ratio.
基金supported by the National Natural Science Foundation of China(Nos.T2222013 and 52073203)Tianjin Natural Science Foundation(No.22JCQNJC01040)the State Key Laboratory of Molecular Engineering of Polymers(Fudan University)(No.K2024-19).
文摘Flexible strain sensors have received tremendous attention because of their potential applications as wearable sensing devices.However, the integration of key functions into a single sensor, such as high stretchability, low hysteresis, self-adhesion, andexcellent antifreezing performance, remains an unmet challenge. In this respect, zwitterionic hydrogels have emerged asideal material candidates for breaking through the above dilemma. The mechanical properties of most reported zwitterionichydrogels, however, are relatively poor, significantly restricting their use under load-bearing conditions. Traditional improve-ment approaches often involve complex preparation processes, making large-scale production challenging. Additionally,zwitterionic hydrogels prepared with chemical crosslinkers are typically fragile and prone to irreversible deformation underlarge strains, resulting in the slow recovery of structure and function. To fundamentally enhance the mechanical properties ofpure zwitterionic hydrogels, the most effective approach is the regulation of the chemical structure of zwitterionic monomersthrough a targeted design strategy. This study employed a novel zwitterionic monomer carboxybetaine urethane acrylate(CBUTA), which contained one urethane group and one carboxybetaine group on its side chain. Through the direct polym-erization of ultrahigh concentration monomer solutions without adding any chemical crosslinker, we successfully developedpure zwitterionic supramolecular hydrogels with significantly enhanced mechanical properties, self-adhesive behavior, andantifreezing performance. Most importantly, the resultant zwitterionic hydrogels exhibited high tensile strength and tough-ness and displayed ultralow hysteresis under strain conditions up to 1100%. This outstanding performance was attributedto the unique liquid–liquid phase separation phenomenon induced by the ultrahigh concentration of CBUTA monomers inan aqueous solution, as well as the enhanced polymer chain entanglement and the strong hydrogen bonds between urethanegroups on the side chains. The potential application of hydrogels in strain sensors and high-performance triboelectric nano-generators was further explored. Overall, this work provides a promising strategy for developing pure zwitterionic hydrogelsfor flexible strain sensors and self-powered electronic devices.
基金sponsored by the National Natural Science Foundation of China (Nos. 22308145, 22208140, 22178159, 22078145)Natural Science Foundation of Jiangsu Province (BK20230791)Postgraduate Research Innovation Program of Jiangsu Province (KYCX24_0165)。
文摘Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-based membranes.Herein,we firstly reported the incorporation of protic ILs (PILs) having ether-rich and carboxylate sites (ECPILs) into poly(ether-block-amide)(Pebax) matrix for efficient separation H_(2)S and CO_(2)from CH_(4).Notably,the optimal permeability of H_(2)S reaches up to 4310 Barrer (40C,0.50 bar) in Pebax/ECPIL membranes,along with H_(2)S/CH_(4)and (H_(2)StCO_(2))/CH_(4)selectivity of 97.7 and 112.3,respectively.These values are increased by 1125%,160.8%and 145.9%compared to those in neat Pebax membrane.Additionally,the solubility and diffusion coefficients of the gases were measured,demonstrating that ECPIL can simultaneously strengthen the dissolution and diffusion of H_(2)S and CO_(2),thus elevating the permeability and permselectivity.By using quantum chemical calculations and FT-IR spectroscopy,the highly reversible multi-site hydrogen bonding interaction between ECPILs and H_(2)S was revealed,which is responsible for the fast permeation of H_(2)S and good selectivity.Furthermore,H_(2)S/CO_(2)/CH_(4)(3/3/94 mol/mol) ternary mixed gas can be efficiently and stably separated by Pebax/ECPIL membrane for at least 100 h.Overall,this work not only illustrates that PILs with ether-rich and carboxylate hydrogen bonding sites are outstanding materials for simultaneous removal of H_(2)S and CO_(2),but may also provide a novel insight into the design of membrane materials for natural gas upgrading.
基金supported by the Natural Science Foundation of Heilongjiang Province(No.JQ2022E004).
文摘In this paper,the work hardening and softening behavior of AZ31 magnesium alloy sheets by hard plate accumulative roll bonding(HP-ARB)process in a specific temperature range was studied for the first time,and the cyclic stress relaxation test,EBSD,TEM and other characterization methods were used.When the rolling temperature is 350℃,the grain size of magnesium sheets is refined to 4.32(±0.36)μm on average,and it shows an excellent combination of strength and plasticity.The tensile strength reaches 307(±8.52)MPa and the elongation is 12.73(±0.84)%.At this time,the curve of work hardening rate decreases smoothly and the degree of hardening is the lowest,and the amplitude of stress drop △σ_(p) in work softening test is the smallest with the increase of cycle times,which shows that the well coordination between work hardening and softening behavior has been achieved.Research has found that the combined effect of grain boundary strengthening and fine grain strengthening enhances the yield and tensile strength of magnesium sheets after three passes HP-ARB process at 350℃.This is attributed to the high degree of dislocation slip opening in the pyramidal surfaceand<c+a>,which not only coordinates the c-axis strain of the entire grain,but also promotes the slip transfer of dislocations in the fine-grained region,significantly improving the elongation of the sheets.This study provides a new idea for the forming and manufacturing of high performance magnesium alloy sheets.
基金supported by grants from the Natural Science Foundation of Fujian Province(2021J011062)Minjiang Scholars Funding(GY-633Z21067).
文摘This study investigates the bond performance at the interfacial region shared by Ultra-High Performance Concrete(UHPC)and steel tubes through push-out tests.This study examines how changes in steel fiber volumetric ratio and thickness of steel tube influence the bond strength characteristics.The results show that as the enhancement of the steel tube wall thickness,the ultimate bond strength at the interface improves significantly,whereas the initial bond strength exhibits only slight variations.The influence of steel fiber volumetric ratio presents a nonlinear trend,with initial bond strength decreasing at low fiber content and increasing significantly as fiber content rises.Additionally,finite element(FE)simulations were applied to replicate the experimental conditions,and the outcomes showed strong correlation with the experimental data,confirming the exactitude of the FE model in predicting the bond behavior at the UHPC-Steel interface.These findings provide valuable insights for optimizing the design of UHPC-Filled steel tubes in high-performance structure.
文摘Large interfacial strains in particles are crucial for promoting bonding in cold spraying(CS),initiated either by adiabatic shear instability(ASI)due to softening prevailing over strain hardening or by hydrostatic plasticity,which is claimed to promote bonding even without ASI.A thorough microstructural analysis is vital to fully understand the bonding mechanisms at play during microparticle impacts and throughout the CS process.In this study,the HEA CoCrFeMnNi,known for its relatively high strain hardening and resistance to softening,was selected to investigate the microstructure characteristics and bonding mech-anisms in CS.This study used characterization techniques covering a range of length scales,including electron channeling contrast imaging(ECCI),electron backscatter diffraction(EBSD),and high-resolution transmission microscopy(HR-TEM),to explore the microstructure characteristics of bonding and overall structure development of CoCrFeMnNi microparticles after impact in CS.HR-TEM lamellae were prepared using focused ion beam milling.Additionally,the effects of deformation field variables on microstructure development were determined through finite element modeling(FEM)of microparticle impacts.The ECCI,EBSD,and HR-TEM analyses revealed an interplay between dislocation-driven processes and twinning,leading to the development of four distinct deformation microstructures.Significant grain refinement occurs at the interface through continuous dynamic recrystallization(CDRX)due to high strain and temperature rise from adiabatic deformation,signs of softening,and ASI.Near the interface,a necklace-like structure of refined grains forms around grain boundaries,along with elongated grains,resulting from the coexistence of dynamic recovery and discontinuous dynamic recrystallization(DDRX)due to lower temperature rise and strain.Towards the particle or substrate interior,concurrent twinning and dislocation-mediated mechanisms refine the structure,forming straight,curved,and intersected twins.At the top of the particles,only deformed grains with a low dislocation density are observed.Our results showed that DRX induces microstructure softening in highly strained interface areas,facilitating atomic bonding in CoCrFeMnNi.HR-TEM investigation confirms the formation of atomic bonds between particles and substrate,with a gradual change in crystal lattice orientation from the particle to the substrate and the occurrence of some misfit dislocations and vacancies at the interface.Finally,the findings of this research suggest that softening and ASI,even in materials resistant to softening,are required to establish bonding in CS.
基金National Natural Science Foundation of China(52275308,52301146)Fundamental Research Funds for the Central Universities(2023JG007)Supported by Shi Changxu Innovation Center for Advanced Materials(SCXKFJJ202207)。
文摘AZ31/Al/Ta composites were prepared using the vacuum hot compression bonding(VHCB)method.The effect of hot compressing temperature on the interface microstructure evolution,phase constitution,and shear strength at the interface was investigated.Moreover,the interface bonding mechanisms of the AZ31/Al/Ta composites during the VHCB process were explored.The results demonstrate that as the VHCB temperature increases,the phase composition of the interface between Mg and Al changes from the Mg-Al brittle intermetallic compounds(Al_(12)Mg_(17)and Al_(3)Mg_(2))to the Al-Mg solid solution.Meanwhile,the width of the Al/Ta interface diffusion layer at 450℃increases compared to that at 400℃.The shear strengths are 24 and 46 MPa at 400 and 450℃,respectively.The interfacial bonding mechanism of AZ31/Al/Ta composites involves the coexistence of diffusion and mechanical meshing.Avoiding the formation of brittle phases at the interface can significantly improve interfacial bonding strength.
基金Project(51275416)supported by the National Natural Science Foundation of China
文摘The bonding interface characteristic and shear strength of diffusion bonded Ti-17 titanium alloy at different bonding time were investigated. The results show that the average size of voids decreases while the amount of voids decreases after increasing to the maximum value with the increasing bonding time. The irregular void with a scraggly edge tends to an ellipse void with smooth surface and then changes to a tiny void with round shape. The grains across bonding interface occur at bonding time of 60 min. The shear strength of bond increases with increasing bonding time, and the highest shear strength of bond is 887.4 MPa at 60 min. The contribution of plastic deformation on the void closure and the increase of shear strength is significant even though the action time of plastic deformation is short.
基金Project(2014M562447) supported by the China Postdoctoral Science FoundationProject(51275416) supported by the National Natural Science Foundation of China+1 种基金Project(BP201503) supported by the Research Fund of the State Key Laboratory of Solidification Processing(NWPU)China
文摘The effect of grain size of primary α phase on the bonding interface characteristic and shear strength of bond was investigated in the press bonding of Ti-6Al-4V alloy. The quantitative results show that the average size of voids increases from 0.8 to 2.6 μm and the bonding ratio decreases from 90.9% to 77.8% with an increase in grain size of primary α phase from 8.2 to 16.4 μm. The shape of voids changes from the tiny round to the irregular strip. The highest shear strength of bond can be obtained in the Ti-6Al-4V alloy with a grain size of 8.2 μm. This is contributed to the higher ability of plastic flow and more short-paths for diffusion in the alloy with smaller grain size of primary α phase, which promote the void closure process and the formation of α/β grains across bonding interface.
基金supported in part by the Equipment Development Pre-research Project funded by Equipment Development Department,PRC under Grant No.50923010501Fundamental Research Program of Shenyang Institute of Automation(SIA),Chinese Academy of Sciencess under Grant No.355060201。
文摘Bonding quality at the interface of solid propellant grains is crucial for the reliability and safety of solid rocket motors.Although bonding reliability is influenced by numerous factors,the lack of quantitative characterization of interface debonding mechanisms and the challenge of identifying key factors have made precise control of process variables difficult,resulting in unpredictable failure risks.This paper presents an improved fuzzy failure probability evaluation method that combines fuzzy fault tree analysis with expert knowledge,transforming process data into fuzzy failure probability to accurately assess debonding probabilities.The predictive model is constructed through a general regression neural network and optimized using the particle swarm optimization algorithm.Sensitivity analysis is conducted to identify key decision variables,including normal force,grain rotation speed,and adhesive weight,which are verified experimentally.Compared with classical models,the maximum error margin of the constructed reliability prediction model is only 0.02%,and it has high stability.The experimental results indicate that the main factors affecting debonding are processing roughness and coating uniformity.Controlling the key decision variable as the median resulted in a maximum increase of 200.7%in bonding strength.The feasibility of the improved method has been verified,confirming that identifying key decision variables has the ability to improve bonding reliability.The proposed method simplifies the evaluation of propellant interface bonding reliability under complex conditions by quantifying the relationship between process parameters and failure risk,enabling targeted management of key decision variables.
基金Project(U2341254)supported by Ye Qisun Science Foundation of National Natural Science Foundation of ChinaProject(52475406)supported by the National Nature Science Foundation of ChinaProject(2024CY2-GJHX-32)supported by the Key R&D Program of Shaanxi Province,China。
文摘Effect of flip chip bonding parameters on microstructure at the interconnect interface and shear properties of 64.8Sn35.2Pb microbumps were investigated in this work.Results show that the main intermetallic compound(IMC)at the interconnect interface is(Ni,Cu)_(3)Sn_(4)phase,and meanwhile a small amount of(Cu,Ni)_(6)Sn_(5)phase with a size of 50−100 nm is formed around(Ni,Cu)_(3)Sn_(4)phase.The orientation relationship of[-1-56](Ni,Cu)_(3)Sn_(4)//[152](Cu,Ni)_(6)Sn_(5)and(601)(Ni,Cu)_(3)Sn_(4)//(-201)(Cu,Ni)_(6)Sn_(5)is found between these two phases,and the atomic matching at the interface of the two phases is low.The highest shear force of 77.3 gf is achieved in the 64.8Sn35.2Pb microbump at the peak temperature of 250℃and parameter V1 because dense IMCs and no cracks form at the interconnect interface.Two typical fracture modes of microbumps are determined as solder fracture and mixed fracture.The high thermal stress presenting in the thick IMCs layer induces crack initiation,and cracks propagate along theα/βphase boundaries in the Sn-Pb solder under shear force,leading to a mixed fracture mode in the microbumps.
基金supported financially by the National Natural Science Foundations of China(No.52102115)the Natural Science Foundation of Sichuan Province,China(No.2025HJRC0019)+1 种基金the Basalt Fiber and Composite Key Laboratory of Sichuan Province,China(No.XXKFJJ202308)Shock and Vibration of Engineering Materials and Structures Key Lab of Sichuan Province,China(No.23kfgk06)。
文摘This study focused on the various surface treatments of grinding,Na OH etching,HCl pickling,micro-arc oxidation and anodic oxidation to strengthen adhesive bonding joint of Aluminum(Al)substrate and Carbon Fiber Reinforced Plastics(CFRP).Different surface conditions were created by these treatments and simple Resin Pre-Coating(RPC)technique was further used to reduce the potential void defects at the root of those micro-cavities.Carbon Nanotubes(CNTs)were guided into the etched micro-cavities to construct quasi-Z-directional fiber bridging and form the“CNT-reinforced epoxy-pins”.The surface performance testing results imply that anodic oxidation of Al substrate created relatively even and continuous channels with higher hardness and better wettability among these treatments,which could provide quasi-vertical spaces for containing epoxy adhesive or CNTs.The single lap shear test results show combined treatments of anodic oxidation and upgraded RPC with CNTs technique on Al substrate yielded the highest bonding strength of 21.8 MPa(up to 243.3% greater than base strength).The constructed through-the-thickness“epoxy-pins”or“CNT-reinforced epoxy-pins”contributed to failure modes changing from complete debonding failure of Al substrate to peeled-off shallow fiber or delamination failure of CFRP panel.The combined treatments could be utilized to manufacture high-performance Al-CFRP composites for aviation industry application.
基金supported by the Guangdong Major Project of Basic and Applied Basic Research(No.2020B0301030006)the Guangdong Basic and Applied Basic Research Foundation[Grant No.2021B1515120071]+1 种基金R.Shi would like to thank the financial support from the open research fund of Songshan Lake Materials Laboratory(2021SLABFK06)start-up funding from Harbin Institute of Technology(Shenzhen).
文摘Magnesium alloys have gained extensive applications across various industries,including aerospace,transportation,and civil construction,owing to their excellent combinations of high specific strength and stiffness[1].However,their lim-ited strength due to the lack of effective strengthening phases has hindered their broader industrial applications[2].Never-theless,it has been challenging to achieve significant strength-ening due to the restricted solubility of alloying elements in magnesium[3].Thus,more and more efforts have been made to explore the concept of secondary phase-reinforced magne-sium alloys[2,4,5],where the secondary phase acts as re-inforcing agents within the magnesium matrix,resembling a composite material.
基金supported by the National Natural Science Foundation of China(Grant No.12372351).
文摘In this study, to meet the development and application requirements for high-strength and hightoughness energetic structural materials, a representative volume element of a TA15 matrix embedded with a TaZrNb sphere was designed and fabricated via diffusion bonding. The mechanisms of the microstructural evolution of the TaZrNb/TA15 interface were investigated via SEM, EBSD, EDS, and XRD.Interface mechanical property tests and in-situ tensile tests were conducted on the sphere-containing structure, and an equivalent tensile-strength model was established for the structure. The results revealed that the TA15 titanium alloy and joint had high density and no pores or cracks. The thickness of the planar joint was approximately 50-60 μm. The average tensile and shear strengths were 767 MPa and 608 MPa, respectively. The thickness of the spherical joint was approximately 60 μm. The Zr and Nb elements in the joint diffused uniformly and formed strong bonds with Ti without forming intermetallic compounds. The interface exhibited submicron grain refinement and a concave-convex interlocking structure. The tensile fracture surface primarily exhibited intergranular fracture combined with some transgranular fracture, which constituted a quasi-brittle fracture mode. The shear fracture surface exhibited brittle fracture with regular arrangements of furrows. Internal fracture occurred along the spherical interface, as revealed by advanced in-situ X-ray microcomputed tomography. The experimental results agreed well with the theoretical predictions, indicating that the high-strength interface contributes to the overall strength and toughness of the sphere-containing structure.
基金Financial supports from the National Natural Science Foundation of China(21503039)Department of Science and Technology of Liaoning Province(2019MS164)+1 种基金Department of Education of Liaoning Province(LJ2020JCL034)Discipline Innovation Team of Liaoning Technical University(LNTU20TD-16)are greatly acknowledged。
文摘Layered rare-earth metal oxides,harnessing the dual properties of oxides and two-dimensional layered materials,exhibit remarkable thermal stability and quantum confinement effects.Therefore,this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound.The coexistence of weak interlayer van der Waals interactions,robust intralayer ionic bonding,and partial covalent bonding leads to remarkable bonding heterogeneity,which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction.The weakened chemical bonds induced by the antibonding states,together with the rattling-like behavior of the Zn atom,culminate in the profound anharmonicity in the layered NdZnSbO compound.The weakening bond and heavy element contribute to the softness of phonon modes,which significantly diminishes the phonon group velocity.The redistribution-dominated four-phonon scattering process spans a large optical gap,which effectively reduces the lattice thermal conductivity.The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06)functional in combination with spin–orbit coupling(SOC)effect.The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy,thus amplifying the power factor.Consequently,an optimal figure-of-merit(ZT)of 3.40 at 900 K is achieved for the n-type NdZnSbO compound.The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.
