The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments ...The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments and accommodates techniques including single-crystal diffraction,powder diffraction,and grazing-incidence wide-angle X-ray scattering(GIWAXS)to enable the characterization of long-range ordered atomic structures.The academic community associated with BL17B engages in research domains encompassing biology,environment,energy,and materials,and a pronounced demand for characterizing short-range ordered structures exists.To address these requirements,BL17B established an advanced X-ray absorption fine structure(XAFS)experimental platform that enabled it to address a wide range of systems,from crystalline to amorphous and from long-range order to short-range order.The XAFS platform allows simultaneous XAFS data acquisition for both the transmission and fluorescence modes within an energy range of 5-23 keV,encompassing the K-edges of titanium to ruthenium and the L3-edges of cesium to bismuth.The platform exemplifies high levels of automation achieved through automated sample assessment and data collection based on large-capacity sample wheels that facilitate remote sample loading.When integrated with a highly integrated control system that simplifies experimental preparation and data collection,the XAFS platform significantly bolsters experimental efficiency and enhances user experience.Notably,the platform boasts an impressively low extended X-ray absorption fine structure(EXAFS)detection limit of 0.04 wt%for dilute copper phthalocyanine(CuPc)samples and an even more remarkable X-ray absorption near edge structure(XANES)detection threshold of 0.01 wt%.These results demonstrate the methodology?s reliability in low-concentration sample analysis,confirming its capability to generate high-quality XAFS data.展开更多
Weak interactions prevent the magnetic particles from achieving excellent electromagnetic wave absorp-tion(EMA)at a low filler loading(FL).The construction of one-dimensional magnetic metal fibers(1D-MMFs)contributes ...Weak interactions prevent the magnetic particles from achieving excellent electromagnetic wave absorp-tion(EMA)at a low filler loading(FL).The construction of one-dimensional magnetic metal fibers(1D-MMFs)contributes to the formation of an electromagnetic(EM)coupling network,enhancing EM properties at a low FL.However,precisely controlling the length of 1D-MMFs to regulate permittivity at low FL poses a challenge.Herein,a novel magnetic field-assisted growth strategy was used to fabricate Co-based fibers with adjustable permittivity and aspect ratios.With a variety of FL changes,centimeter-level Co long fibers(Co-lf)consistently exhibited higher permittivity than Co particles and Co short fibers due to the enhancement of the effective EM coupling.The Co-lf exhibits excellent EMA performance(-54.85 dB,5.8 GHz)at 10 wt.%FL.Meanwhile,heterogeneous interfaces were introduced to increase the interfacial polarization through a fine phosphorylation design,resulting in elevated EMA performances(-51.50 dB,6.6 GHz)at 10 wt.%FL for Co_(2)P/Co long fibers.This study improves the orderliness of the particle arrangement by regulating the length of 1D-MMFs,which affects the behavior of electrons inside the fibers,providing a new perspective for improving the EMA properties of magnetic materials at a low FL.展开更多
Mimicking the electric microenvironment of natural tissue is a promising strategy for developing biomedical implants. However, current research has not taken biomimetic electrical functional units into consideration w...Mimicking the electric microenvironment of natural tissue is a promising strategy for developing biomedical implants. However, current research has not taken biomimetic electrical functional units into consideration when designing biomedical implants. In this research, ordered structures with Schottky heterojunction functional unit (OSSH) were constructed on titanium implant surfaces for bone regeneration regulation. The Schottky heterojunction functional unit is composed of periodically distributed titanium microdomain and titanium oxide microdomain with different carrier densities and surface potentials. The OSSH regulates the M2-type polarization of macrophages to a regenerative immune response by activating the PI3K-AKT-mTOR signal pathway and further promotes osteogenic differentiation of rat bone marrow mesenchymal stem cells. This work provides fundamental insights into the biological effects driven by the Schottky heterojunction functional units that can electrically modulate osteogenesis.展开更多
The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by tw...The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by two coordinate sub-shells with a very short dis- tance,In two films with lower Fe content,structural parameters of the nearest neighbors around a Ge atom are very near to that in amorphous germanium,and the positions of Fe at- oms are randomly substitutional.But when x=28.5%,some great changes occur on the short-range order structure of a-Fe_xGe_(1-x) film:its structure deviates from continuous ran- dora network and tends toward dense random packing of atoms.Meanwhile,there is a strong- er interaction between near neighboring Fe-Ge atoms in a-Fe_xGe_(1-x) films.展开更多
The microstructure and mechanical properties of Mg94Zn2Y4 extruded alloy containing long-period stacking ordered structures were systematically investigated by SEM and TEM analyses. The results show that the 18R-LPSO ...The microstructure and mechanical properties of Mg94Zn2Y4 extruded alloy containing long-period stacking ordered structures were systematically investigated by SEM and TEM analyses. The results show that the 18R-LPSO structure and α-Mg phase are observed in cast Mg94Zn2Y4 alloy. After extrusion, the LPSO structures are delaminated and Mg-slices with width of 50-200 nm are generated. By ageing at 498 K for 36 h, the ageing peak is attained andβ′phase is precipitated. Due to this novel precipitation, the microhardness ofα-Mg matrix increases apparently from HV108.9 to HV129.7. While the microhardness for LPSO structure is stabilized at about HV145. TEM observations and SAED patterns indicate that the β′ phase has unique orientation relationships betweenα-Mg and LPSO structures, the direction in the close-packed planes ofβ′precipitates perpendicular to that ofα-Mg and LPSO structures. The ultimate tensile strength for the peak-aged alloy achieves 410.7 MPa and the significant strength originates from the coexistence ofβ′precipitates and 18R-LPSO structures.展开更多
14H, 18R and 24R long-period stacking ordered （LPSO） structures were observed in the as-cast Mg-3Cu-1Mn-2Zn-1Y damping alloy using transmission electron microscopy （TEM）. These LPSO structures contained Mg, Y, Cu ...14H, 18R and 24R long-period stacking ordered （LPSO） structures were observed in the as-cast Mg-3Cu-1Mn-2Zn-1Y damping alloy using transmission electron microscopy （TEM）. These LPSO structures contained Mg, Y, Cu and Zn and thus they were quaternary phases. Sharp diffraction pattern of the 24R structure was obtained and the angle between and g10024R was measured to be 5.03°. During high resolution TEM observations, lattice fringes with two characteristic spacings were observed within the 24R structure. Based on the experimental results, 6H, 7H and three 8H are suggested as the building blocks of 18R, 14H and 24R structures, respectively. The 24R unit cell can be interpreted as the stacking of 8H building blocks in the same shear direction with a shear angle of about 5.03°. The imperfect 24R structures are in order or disorder arrangements of principal 8H and minor 6H blocks. This double-block structure model is also applicable to other reported defects in LPSO structures.展开更多
Guided by the fundamental principles of the whole petroleum system,the control of tectonism,sedimentation,and diagenesis on hydrocarbon accumulation in a rifted basin is studied using the data of petroleum geology and...Guided by the fundamental principles of the whole petroleum system,the control of tectonism,sedimentation,and diagenesis on hydrocarbon accumulation in a rifted basin is studied using the data of petroleum geology and exploration of the second member of the Paleogene Kongdian Formation(Kong-2 Member)in the Cangdong Sag,Bohai Bay Basin,China.It is clarified that the circle structure and circle effects are the marked features of a continental fault petroliferous basin,and they govern the orderly distribution of conventional and unconventional hydrocarbons in the whole petroleum systems of the rifted basin.Tectonic circle zones control sedimentary circle zones,while sedimentary circle zones and diagenetic circle zones control the spatial distribution of favorable reservoirs,thereby determining the orderly distribution of hydrocarbon accumulations in various circles.A model for the integrated,systematic accumulation of conventional and unconventional hydrocarbons under a multi-circle structure of the whole petroleum system of continental rifted basin has been developed.It reveals that each sag of the rifted basin is an independent whole petroleum system and circle system,which encompasses multiple orderly circles of conventional and unconventional hydrocarbons controlled by the same source kitchen.From the outer circle to the middle circle and then to the inner circle,there is an orderly transition from structural and stratigraphic reservoirs,to lithological and structural-lithological reservoirs,and finally to tight oil/gas and shale oil/gas enrichment zones.The significant feature of the whole petroleum system is the orderly control of hydrocarbons by multi-circle stratigraphic coupling,with the integrated,orderly distribution of conventional and unconventional reserves being the inevitable result of the multi-layered interaction within the whole petroleum system.This concept of multi-circle stratigraphic coupling for the orderly,integrated accumulation of conventional and unconventional hydrocarbons has guided significant breakthroughs in the overall,three-dimensional exploration and shale oil exploration in the Cangdong Sag.展开更多
Chemical short-range order(SRO),a phenomenon at the atomic scale resulting from inhomogeneities in the local chemical environment,is usually studied using machine learning force field-based molecular dynamics simulati...Chemical short-range order(SRO),a phenomenon at the atomic scale resulting from inhomogeneities in the local chemical environment,is usually studied using machine learning force field-based molecular dynamics simulations due to the limitations of experimental methods.To promote the reliable application of machine potentials in high-entropy alloy simulations,first,this work uses NEP models trained on two different datasets to predict the SRO coefficients of NbMoTaW.The results show that within the same machine learning framework,there are significant differences in the prediction of SRO coefficients for the Nb-Nb atomic pair.Subsequently,this work predicts the SRO coefficients of NbMoTaW using the NEP model and the SNAP model,both of which are trained on the same dataset.The results reveal significant discrepancies in SRO predictions for like-element pairs(e.g.,Nb-Nb and W-W)between the two potentials,despite the identical training data.The findings of this study indicate that discrepancies in the prediction results of SRO coefficients can arise from either the same machine learning framework trained on different datasets or different learning frameworks trained on the same dataset.This reflects possible incompleteness in the current training set's coverage of local chemical environments at the atomic scale.Future research should establish unified evaluation standards to assess the capability of training sets to accurately describe complex atomic-scale behaviors such as SRO.展开更多
The short-range ordering(SRO)structure has been considered as a toughening method to improve the mechanical properties of high-entropy alloys(HEAs).However,the strengthening mechanism of the SRO structures on the HEAs...The short-range ordering(SRO)structure has been considered as a toughening method to improve the mechanical properties of high-entropy alloys(HEAs).However,the strengthening mechanism of the SRO structures on the HEAs still needs to be further revealed.Here,the effect of element distribution,Al content,crack orientation,temperature,and strain rate on the crack propagation behavior of the AlxFeCoCrNi HEAs are investigated using Monte Carlo(MC)/molecular dynamics(MD)simulation methods.Two HEA models are considered,one with five elements randomly distributed in the alloys,i.e.RSS_HEAs,and the other presenting SRO structure in the alloys,namely SRO_HEAs.The results show that Al atoms play a decisive role in the SRO degree of the HEA.The higher the Al content,the greater the SRO degree of the HEA,and the stronger the resistance of the SRO structure to crack propagation in the alloys.The results indicate that the reinforcement effect of the SRO structure in the model with the(111)[110]crack is more significant than that with the(111)[110]crack.The results show that the crack length of the alloys at maximum strain does not monotonically increase with temperature,but rather exhibits a turning point at the temperature of 400 K.When the temperature is below 400 K,the crack length of the alloys increases with the increase of temperature,while above 400 K,the opposite trend appears.In addition,the results indicate that the crack length of the alloys decreases with increasing strain rate under the same strain.展开更多
Chemical short-range order(SRO)in multi-principal element alloys(MPEAs)and its unprecedented benefits on materials performance have been elucidated in recent experimental observations.Hence,manipulating the fine struc...Chemical short-range order(SRO)in multi-principal element alloys(MPEAs)and its unprecedented benefits on materials performance have been elucidated in recent experimental observations.Hence,manipulating the fine structure of SRO and its interaction with other coexisting SROs or defects becomes increasingly crucial for MPEAs design.Here,using TiZrNb,TiZrVNb,and TiZrV as the model systems,SRO and its interaction with surrounding environment,as well as its effects on mechanical properties are comprehensively explored through density functional theory-based Monte Carlo simulations.We find that both TiZrNb and TiZrVNb exhibit Ti-Zr SRO and Nb-Nb short-range clustering(SRC),whereas in TiZrV,Zr-V SRO occurs in addition to Ti-Zr SRO.SRO largely increases the modulus and the unstable stacking fault energy(USFE).At the electronic scale,SRO is found accompanied with a deeper pseudo-energy gap at Fermi level,and with a covalent bonding character between the metallic atoms.Due to the SRO-oxygen attraction,oxygen centered and Ti/Zr enriched octahedron coined as(O,2Ti,4Zr)-octahedron populates in TiZrNb-O and TiZrV-O.In TiZrVNb-O,there mainly exist two types of octahedral:(O,2Ti,4Zr)and(O,3Ti,3Zr).Quantitatively,forming these(O,Ti,Zr)-octahedra,the modulus and USFE of MPEAs are further increased compared to the individual contribution from SRO or oxygen,but the improvement does not surpass the sum of the increments induced by the two individuals.The present findings deepen the understanding of SROs and their interactions with surrounding environments,pushing forward the effective utilization of SRO in materials design.展开更多
Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to thei...Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to their practical application.This study investigates the microstructural evolution and me-chanical behavior of an 80%cold-rolled Fe_(45)Co_(35)Cr_(10)V_(10)MEA that was isochronally annealed between 100℃ and 900℃ for 300 s and characterized using hardness indentations,in-situ X-ray diffraction,and thermodynamic calculations,with high-resolution electron microscopy detailing microstructural evo-lution at 625℃,675℃,and 725℃.The results show increases in Vickers hardness between 500℃ and 625℃,attributed to the nucleation of a Cr-and V-rich sigma(σ)phase,primarily at the bcc grain boundaries.Beyond 625℃,the hardness decreased due toσ-phase dissolution,recovery of bcc and fcc phases,bcc→fcc phase reversion,and recrystallization of the reverted fcc phase.Scanning-transmission electron microscopy and transmission Kikuchi diffraction revealed a Kurdjumov-Sachs orientation rela-tionship(OR)at 675℃ and a near Nishiyama-Wassermann OR at 725℃ for bcc-fcc interfaces,whereas bcc-σand fcc-σinterfaces showed no dominant OR.In addition toσphase,two types of bcc phase were identified at 625℃.Type 1 bcc initially retained a near-nominal composition and a disordered crystal structure from deformation-induced bcc martensite but gradually became Fe-enriched and Cr-and V-depleted up to 725℃.In contrast,Type 2 bcc phase was Fe-depleted and Co-enriched at 625℃ but dis-appeared at 675℃,coinciding with the onset of bcc→fcc phase reversion.This phase also exhibited B2-like chemical short-range ordering,with alternating FeCo-rich and CrV-rich domains.This study provides insights into the complex phase transformation occurring between 500℃ and 725℃ in a Fe_(45)Co_(35)Cr_(10)V_(10)MEA,which can be leveraged to design alloys with optimized mechanical properties for practical appli-cations.展开更多
Both the solid solution and precipitation are mainly strengthening mechanism for the magnesium-based alloys. A great number of alloying elements can be dissolved into the Mg matrix to form the solutes and precipitates...Both the solid solution and precipitation are mainly strengthening mechanism for the magnesium-based alloys. A great number of alloying elements can be dissolved into the Mg matrix to form the solutes and precipitates.Moreover, the type of precipitates varies with different alloying elements and heat treatments, which makes it quite difficult to understand the formation mechanism of the precipitates in Mg-based alloys in depth. Thus, it is very hard to give a systematical regularity in precipitation process for the Mg-based alloys. This review is mainly focused on the formation and microstructural evolution of the precipitates, as a hot topic for the past few years, including Guinier-Preston Zones, quasicrystals and long-period stacking ordered phases formed in a number of Mg-TM-RE alloy systems, where TM = Al, Zn, Zr and RE = Y,Gd, Hd, Ce and La.展开更多
Mg-Zn-Y alloys with long-period stacking ordered structures were prepared by an ingot casting method. The corrosion performance of Mg-Zn-Y alloys was studied by combining gas-collecting test, immersion test and electr...Mg-Zn-Y alloys with long-period stacking ordered structures were prepared by an ingot casting method. The corrosion performance of Mg-Zn-Y alloys was studied by combining gas-collecting test, immersion test and electrochemical measurements in order to determine the corrosion rate and mechanism of the alloys. The results showed that the volume fraction of Mg（12）YZn phase increased and the shape of the Mg（12）YZn phase changed from discontinuous to continuous net-like with increasing Zn and Y content. The corrosion rate of the alloys greatly depended on the distribution and volume fraction of the Mg（12）YZn phase. Corrosion products appeared at the junction of Mg phase and Mg（12）YZn phase, indicating that the Mg（12）YZn phase accelerated galvanic corrosion of Mg matrix. Mg（97）Zn1Y2 alloy shows the lowest corrosion rate due to the continuous distribution of Mg（12）YZn phase.展开更多
The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases ...The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases have been discovered, which enriches the family of MAX phases, and opens a new window to tailor the properties of MAX phases and to develop new MXenes. In the present work, we explored possible ordered quaternary MAB phases with Cr3AlB4 structure(space group: Pmmm) by first-principles calculations. The predictions show that M2M’AlB4 phases with M = Mn, Fe, Co and M’ = Cr, Mo, W exhibit strong tendency of ordering, where M locates at 2t site(0.5, 0.5, z2t) and M’ locates at 1 g site(0, 0.5,0.5). The main driving force of ordering may be the differences in bonding strengths between Al and M elements. Analyses on chemical bonds reveal that bonding strengths increase following the order:Al-Mn < Al-Fe < Al-Co, which is consistent with the prediction that ordering tendency increases when M changes from Mn to Co, as derived from enthalpy differences. The ordered M2M’AlB4 phases with M =Mn or Fe are predicted ferromagnetic and ordered M2M’AlB4 phases display lower shear resistance and possibly better ductility in comparison to Cr3AlB4.展开更多
Large-scale Fe-6.5 wt.%Si ingot with excellent formability is required for a pilot line producing sheets through hot/cold rolling.The variation of the as-cast microstructure,ordered structures and the formability of t...Large-scale Fe-6.5 wt.%Si ingot with excellent formability is required for a pilot line producing sheets through hot/cold rolling.The variation of the as-cast microstructure,ordered structures and the formability of the Fe-6.5 wt.%Si alloy ingots with the cooling rate during casting was investigated.Under air-cooling condition,inhomogeneous microstructures with a low proportion of equiaxed grains were formed,but the formation of ordered structures was partially inhibited,especially DO3.Homogeneous microstructures with a high proportion of equiaxed grains were observed under the condition of furnace cooling,but the ordered structures were fully generated,and the degree of order is high.It is generally believed that high degree of order is the main factor of brittleness,but the homogeneous microstructure(including grain morphology and size)of the furnace-cooled sample helps to improve the formability.The influence of these two aspects on formability is contradictory.Therefore,the formability is tested through the flow stress during the compression and the microstructure after the compression.The results show that the furnace-cooled sample has better formability.For large-scale ingots,the control of as-cast microstructure becomes more significant than the control of degree of order.Slow cooling during casting is important for the large-scale ingots to have good formability meeting the requirements of direct hot rolling.展开更多
Magnesium alloys with a long-period stacking ordered(LPSO)structure usually possess excellent static strength,but their fatigue behaviors are poorly understood.This work presents the effect of the LPSO structure on th...Magnesium alloys with a long-period stacking ordered(LPSO)structure usually possess excellent static strength,but their fatigue behaviors are poorly understood.This work presents the effect of the LPSO structure on the crack behaviors of Mg alloys in a very high cycle fatigue(VHCF)regime.The LPSO lamellas lead to a facet-like cracking process along the basal planes at the crack initiation site and strongly prohibit the early crack propagation by deflecting the growth direction.The stress intensity factor at the periphery of the faceted area is much higher than the conventional LPSO-free Mg alloys,contributing higher fatigue crack propagation threshold of LPSO-containing Mg alloys.Microstructure observation at the facets reveals a layer of ultrafine grains at the fracture surface due to the cyclic contact of the crack surface,which supports the numerous cyclic pressing model describing the VHCF crack initiation behavior.展开更多
The recent development of high-strength magnesium alloys is focused on the role of the strengthening phases with a novel long-period stacking-ordered (LPSO) structure. This review detailed the main factors influencing...The recent development of high-strength magnesium alloys is focused on the role of the strengthening phases with a novel long-period stacking-ordered (LPSO) structure. This review detailed the main factors influencing the formation of LPSO phases, including alloying ele-ments, preparation methods, and heat treatments. Furthermore, process control in structure types, formation and transformation behavior, strengthening and toughening mechanisms of the LPSO phase were discussed. Finally, the current problems and development trends of high-strength Mg-Zn-RE alloys were also put forward.展开更多
It was revealed that an average energy of special boundaries is proportional to APB energy in the alloys with the L12 superstructure. This fact proves the appearance of the GAPBs in the planes of location of special b...It was revealed that an average energy of special boundaries is proportional to APB energy in the alloys with the L12 superstructure. This fact proves the appearance of the GAPBs in the planes of location of special boundaries in coincidence sites of ordered alloys. It was determined that the more energy of special boundaries in ordered alloys, the more energy of complex stacking fault. There is a correlation between the distribution of special boundaries as a function its relative energy and ordering energy: the more ordering energy, the more degree of washed away of distribution. The correlation between average relative energy of special boundaries and ordering energy was detected: the more ordering energy, the more average energy of special boundaries. The reverse dependence between ordering energy and average number of special boundaries in grains limited by boundaries of general type was discovered.展开更多
The formation of cold rolling textures in FeCo, CuZn and Fe 3Al based alloys with B2 structure was analyzed using X ray diffraction technology. The difference of deformation textures obviously demonstrated the differe...The formation of cold rolling textures in FeCo, CuZn and Fe 3Al based alloys with B2 structure was analyzed using X ray diffraction technology. The difference of deformation textures obviously demonstrated the different behaviors of plastic deformation in the alloys. The boundary energy of anti phase domains has important influence on the crystallographic behaviors of B2 ordered alloys during deformation. The activation of slip systems on the ｛110｝ planes should be the main deformation mechanism in B2 ordered alloys. The mechanical twinning on ｛112｝ planes appeared frequently in CuZn alloy with lower boundary energy of anti phase domains, while a rather typical rolling texture like that in BCC metals was observed in Fe 3Al alloy with incomplete B2 structure, indicating that its boundary energy of anti phase domains does not have important influence on the deformation mechanism similar to BCC metals.展开更多
基金supported by the Chinese Academy of Science(CAS)Key Technology Talent Program(No.2021000022)。
文摘The synchrotron radiation beamline BL17B of the National Facility for Protein Science(NFPS)in Shanghai,situated at the Shanghai Synchrotron Radiation Facility(SSRF),was originally designed for diffraction experiments and accommodates techniques including single-crystal diffraction,powder diffraction,and grazing-incidence wide-angle X-ray scattering(GIWAXS)to enable the characterization of long-range ordered atomic structures.The academic community associated with BL17B engages in research domains encompassing biology,environment,energy,and materials,and a pronounced demand for characterizing short-range ordered structures exists.To address these requirements,BL17B established an advanced X-ray absorption fine structure(XAFS)experimental platform that enabled it to address a wide range of systems,from crystalline to amorphous and from long-range order to short-range order.The XAFS platform allows simultaneous XAFS data acquisition for both the transmission and fluorescence modes within an energy range of 5-23 keV,encompassing the K-edges of titanium to ruthenium and the L3-edges of cesium to bismuth.The platform exemplifies high levels of automation achieved through automated sample assessment and data collection based on large-capacity sample wheels that facilitate remote sample loading.When integrated with a highly integrated control system that simplifies experimental preparation and data collection,the XAFS platform significantly bolsters experimental efficiency and enhances user experience.Notably,the platform boasts an impressively low extended X-ray absorption fine structure(EXAFS)detection limit of 0.04 wt%for dilute copper phthalocyanine(CuPc)samples and an even more remarkable X-ray absorption near edge structure(XANES)detection threshold of 0.01 wt%.These results demonstrate the methodology?s reliability in low-concentration sample analysis,confirming its capability to generate high-quality XAFS data.
基金supported by the National Key Research and Development Program of China(No.2024YFE0100600)the National Natural Science Foundation of China(No.52373303)+1 种基金the Shanghai Municipal Science and Technology Major Project(No.2021SHZDZX0100)the Fundamental Research Funds for the Central Universities and the Interdisciplinary Joint Research and Development Project of Tongji University(No.2022-4-ZD-01).
文摘Weak interactions prevent the magnetic particles from achieving excellent electromagnetic wave absorp-tion(EMA)at a low filler loading(FL).The construction of one-dimensional magnetic metal fibers(1D-MMFs)contributes to the formation of an electromagnetic(EM)coupling network,enhancing EM properties at a low FL.However,precisely controlling the length of 1D-MMFs to regulate permittivity at low FL poses a challenge.Herein,a novel magnetic field-assisted growth strategy was used to fabricate Co-based fibers with adjustable permittivity and aspect ratios.With a variety of FL changes,centimeter-level Co long fibers(Co-lf)consistently exhibited higher permittivity than Co particles and Co short fibers due to the enhancement of the effective EM coupling.The Co-lf exhibits excellent EMA performance(-54.85 dB,5.8 GHz)at 10 wt.%FL.Meanwhile,heterogeneous interfaces were introduced to increase the interfacial polarization through a fine phosphorylation design,resulting in elevated EMA performances(-51.50 dB,6.6 GHz)at 10 wt.%FL for Co_(2)P/Co long fibers.This study improves the orderliness of the particle arrangement by regulating the length of 1D-MMFs,which affects the behavior of electrons inside the fibers,providing a new perspective for improving the EMA properties of magnetic materials at a low FL.
基金supported by the National Natural Science Foundation of China(Nos.52072127,52201297,U21A2055,and U22A20160)the China Postdoctoral Science Foundation(No.2022M711200)the Royal Society(No.IEC/NSFC/191344)(UK).
文摘Mimicking the electric microenvironment of natural tissue is a promising strategy for developing biomedical implants. However, current research has not taken biomimetic electrical functional units into consideration when designing biomedical implants. In this research, ordered structures with Schottky heterojunction functional unit (OSSH) were constructed on titanium implant surfaces for bone regeneration regulation. The Schottky heterojunction functional unit is composed of periodically distributed titanium microdomain and titanium oxide microdomain with different carrier densities and surface potentials. The OSSH regulates the M2-type polarization of macrophages to a regenerative immune response by activating the PI3K-AKT-mTOR signal pathway and further promotes osteogenic differentiation of rat bone marrow mesenchymal stem cells. This work provides fundamental insights into the biological effects driven by the Schottky heterojunction functional units that can electrically modulate osteogenesis.
文摘The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by two coordinate sub-shells with a very short dis- tance,In two films with lower Fe content,structural parameters of the nearest neighbors around a Ge atom are very near to that in amorphous germanium,and the positions of Fe at- oms are randomly substitutional.But when x=28.5%,some great changes occur on the short-range order structure of a-Fe_xGe_(1-x) film:its structure deviates from continuous ran- dora network and tends toward dense random packing of atoms.Meanwhile,there is a strong- er interaction between near neighboring Fe-Ge atoms in a-Fe_xGe_(1-x) films.
基金Project (BK2010392) supported by the Natural Science Foundation of Jiangsu Province of ChinaProject (3212000502) supported by the Innovation Foundation of Southeast University,China
文摘The microstructure and mechanical properties of Mg94Zn2Y4 extruded alloy containing long-period stacking ordered structures were systematically investigated by SEM and TEM analyses. The results show that the 18R-LPSO structure and α-Mg phase are observed in cast Mg94Zn2Y4 alloy. After extrusion, the LPSO structures are delaminated and Mg-slices with width of 50-200 nm are generated. By ageing at 498 K for 36 h, the ageing peak is attained andβ′phase is precipitated. Due to this novel precipitation, the microhardness ofα-Mg matrix increases apparently from HV108.9 to HV129.7. While the microhardness for LPSO structure is stabilized at about HV145. TEM observations and SAED patterns indicate that the β′ phase has unique orientation relationships betweenα-Mg and LPSO structures, the direction in the close-packed planes ofβ′precipitates perpendicular to that ofα-Mg and LPSO structures. The ultimate tensile strength for the peak-aged alloy achieves 410.7 MPa and the significant strength originates from the coexistence ofβ′precipitates and 18R-LPSO structures.
基金Project (2009CB623704) supported by the National Basic Research Program of ChinaProject (50971076) supported by the National Natural Science Foundation of China
文摘14H, 18R and 24R long-period stacking ordered （LPSO） structures were observed in the as-cast Mg-3Cu-1Mn-2Zn-1Y damping alloy using transmission electron microscopy （TEM）. These LPSO structures contained Mg, Y, Cu and Zn and thus they were quaternary phases. Sharp diffraction pattern of the 24R structure was obtained and the angle between and g10024R was measured to be 5.03°. During high resolution TEM observations, lattice fringes with two characteristic spacings were observed within the 24R structure. Based on the experimental results, 6H, 7H and three 8H are suggested as the building blocks of 18R, 14H and 24R structures, respectively. The 24R unit cell can be interpreted as the stacking of 8H building blocks in the same shear direction with a shear angle of about 5.03°. The imperfect 24R structures are in order or disorder arrangements of principal 8H and minor 6H blocks. This double-block structure model is also applicable to other reported defects in LPSO structures.
基金Supported by the National Science and Technology Major Project of China(2024ZD1400101)China National Key Research and Development Project(2022YFF0801204)Major Science and Technology Project of CNPC(2023ZZ15YJ01,2021DJ0702)。
文摘Guided by the fundamental principles of the whole petroleum system,the control of tectonism,sedimentation,and diagenesis on hydrocarbon accumulation in a rifted basin is studied using the data of petroleum geology and exploration of the second member of the Paleogene Kongdian Formation(Kong-2 Member)in the Cangdong Sag,Bohai Bay Basin,China.It is clarified that the circle structure and circle effects are the marked features of a continental fault petroliferous basin,and they govern the orderly distribution of conventional and unconventional hydrocarbons in the whole petroleum systems of the rifted basin.Tectonic circle zones control sedimentary circle zones,while sedimentary circle zones and diagenetic circle zones control the spatial distribution of favorable reservoirs,thereby determining the orderly distribution of hydrocarbon accumulations in various circles.A model for the integrated,systematic accumulation of conventional and unconventional hydrocarbons under a multi-circle structure of the whole petroleum system of continental rifted basin has been developed.It reveals that each sag of the rifted basin is an independent whole petroleum system and circle system,which encompasses multiple orderly circles of conventional and unconventional hydrocarbons controlled by the same source kitchen.From the outer circle to the middle circle and then to the inner circle,there is an orderly transition from structural and stratigraphic reservoirs,to lithological and structural-lithological reservoirs,and finally to tight oil/gas and shale oil/gas enrichment zones.The significant feature of the whole petroleum system is the orderly control of hydrocarbons by multi-circle stratigraphic coupling,with the integrated,orderly distribution of conventional and unconventional reserves being the inevitable result of the multi-layered interaction within the whole petroleum system.This concept of multi-circle stratigraphic coupling for the orderly,integrated accumulation of conventional and unconventional hydrocarbons has guided significant breakthroughs in the overall,three-dimensional exploration and shale oil exploration in the Cangdong Sag.
基金Project supported by the Hunan Provincial Natural Science Foundation(Grant Nos.2024JJ6190 and 2024JK2007-1)。
文摘Chemical short-range order(SRO),a phenomenon at the atomic scale resulting from inhomogeneities in the local chemical environment,is usually studied using machine learning force field-based molecular dynamics simulations due to the limitations of experimental methods.To promote the reliable application of machine potentials in high-entropy alloy simulations,first,this work uses NEP models trained on two different datasets to predict the SRO coefficients of NbMoTaW.The results show that within the same machine learning framework,there are significant differences in the prediction of SRO coefficients for the Nb-Nb atomic pair.Subsequently,this work predicts the SRO coefficients of NbMoTaW using the NEP model and the SNAP model,both of which are trained on the same dataset.The results reveal significant discrepancies in SRO predictions for like-element pairs(e.g.,Nb-Nb and W-W)between the two potentials,despite the identical training data.The findings of this study indicate that discrepancies in the prediction results of SRO coefficients can arise from either the same machine learning framework trained on different datasets or different learning frameworks trained on the same dataset.This reflects possible incompleteness in the current training set's coverage of local chemical environments at the atomic scale.Future research should establish unified evaluation standards to assess the capability of training sets to accurately describe complex atomic-scale behaviors such as SRO.
基金financially supported by the Natural Science Foundation of Shaanxi Province(No.2021JZ-53)the Program for Graduate Innovation Fund of Xi'an Shiyou University(No.YCS22213146).
文摘The short-range ordering(SRO)structure has been considered as a toughening method to improve the mechanical properties of high-entropy alloys(HEAs).However,the strengthening mechanism of the SRO structures on the HEAs still needs to be further revealed.Here,the effect of element distribution,Al content,crack orientation,temperature,and strain rate on the crack propagation behavior of the AlxFeCoCrNi HEAs are investigated using Monte Carlo(MC)/molecular dynamics(MD)simulation methods.Two HEA models are considered,one with five elements randomly distributed in the alloys,i.e.RSS_HEAs,and the other presenting SRO structure in the alloys,namely SRO_HEAs.The results show that Al atoms play a decisive role in the SRO degree of the HEA.The higher the Al content,the greater the SRO degree of the HEA,and the stronger the resistance of the SRO structure to crack propagation in the alloys.The results indicate that the reinforcement effect of the SRO structure in the model with the(111)[110]crack is more significant than that with the(111)[110]crack.The results show that the crack length of the alloys at maximum strain does not monotonically increase with temperature,but rather exhibits a turning point at the temperature of 400 K.When the temperature is below 400 K,the crack length of the alloys increases with the increase of temperature,while above 400 K,the opposite trend appears.In addition,the results indicate that the crack length of the alloys decreases with increasing strain rate under the same strain.
基金financially supported by the National Natural Science Foundation of China(No.52173216)CNPC Science and Technology Project"Research and Development of Corrosion Resistant Materials for Extreme Environments"(No.2023ZZ11-02).
文摘Chemical short-range order(SRO)in multi-principal element alloys(MPEAs)and its unprecedented benefits on materials performance have been elucidated in recent experimental observations.Hence,manipulating the fine structure of SRO and its interaction with other coexisting SROs or defects becomes increasingly crucial for MPEAs design.Here,using TiZrNb,TiZrVNb,and TiZrV as the model systems,SRO and its interaction with surrounding environment,as well as its effects on mechanical properties are comprehensively explored through density functional theory-based Monte Carlo simulations.We find that both TiZrNb and TiZrVNb exhibit Ti-Zr SRO and Nb-Nb short-range clustering(SRC),whereas in TiZrV,Zr-V SRO occurs in addition to Ti-Zr SRO.SRO largely increases the modulus and the unstable stacking fault energy(USFE).At the electronic scale,SRO is found accompanied with a deeper pseudo-energy gap at Fermi level,and with a covalent bonding character between the metallic atoms.Due to the SRO-oxygen attraction,oxygen centered and Ti/Zr enriched octahedron coined as(O,2Ti,4Zr)-octahedron populates in TiZrNb-O and TiZrV-O.In TiZrVNb-O,there mainly exist two types of octahedral:(O,2Ti,4Zr)and(O,3Ti,3Zr).Quantitatively,forming these(O,Ti,Zr)-octahedra,the modulus and USFE of MPEAs are further increased compared to the individual contribution from SRO or oxygen,but the improvement does not surpass the sum of the increments induced by the two individuals.The present findings deepen the understanding of SROs and their interactions with surrounding environments,pushing forward the effective utilization of SRO in materials design.
基金provided by the Nano and Material Technology Development Program(RS-2023-00281246)via the National Research Foundation of Korea,Ministry of Science and ICT,KoreaThe JEOL JSM-7001F,JEOL ARM 200F,and FEI Helios G3 CX FIB-SEM were funded by the Australian Research Council-Linkage,Infrastructure,Equipment and Facilities GrantsNos.LE0882613,LE120100104 andLE160100063,respectivelyThe Oxford Instruments 80 mm2 X-Max EDS detector and the JEOL JEM F200 were funded via the 2012 UOW Major Equipment Grant and 2019 UOW Equipment Replacement Grant schemes,respectively.
文摘Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to their practical application.This study investigates the microstructural evolution and me-chanical behavior of an 80%cold-rolled Fe_(45)Co_(35)Cr_(10)V_(10)MEA that was isochronally annealed between 100℃ and 900℃ for 300 s and characterized using hardness indentations,in-situ X-ray diffraction,and thermodynamic calculations,with high-resolution electron microscopy detailing microstructural evo-lution at 625℃,675℃,and 725℃.The results show increases in Vickers hardness between 500℃ and 625℃,attributed to the nucleation of a Cr-and V-rich sigma(σ)phase,primarily at the bcc grain boundaries.Beyond 625℃,the hardness decreased due toσ-phase dissolution,recovery of bcc and fcc phases,bcc→fcc phase reversion,and recrystallization of the reverted fcc phase.Scanning-transmission electron microscopy and transmission Kikuchi diffraction revealed a Kurdjumov-Sachs orientation rela-tionship(OR)at 675℃ and a near Nishiyama-Wassermann OR at 725℃ for bcc-fcc interfaces,whereas bcc-σand fcc-σinterfaces showed no dominant OR.In addition toσphase,two types of bcc phase were identified at 625℃.Type 1 bcc initially retained a near-nominal composition and a disordered crystal structure from deformation-induced bcc martensite but gradually became Fe-enriched and Cr-and V-depleted up to 725℃.In contrast,Type 2 bcc phase was Fe-depleted and Co-enriched at 625℃ but dis-appeared at 675℃,coinciding with the onset of bcc→fcc phase reversion.This phase also exhibited B2-like chemical short-range ordering,with alternating FeCo-rich and CrV-rich domains.This study provides insights into the complex phase transformation occurring between 500℃ and 725℃ in a Fe_(45)Co_(35)Cr_(10)V_(10)MEA,which can be leveraged to design alloys with optimized mechanical properties for practical appli-cations.
基金supported by National Natural Science Fundation of China (Nos. 51171192 and51271183)National Basic Research Program of China(No. 2013CB632205)Innovation Fund of Institute of Metal Research (IMR), Chinese Academy of Sciences(CAS)
文摘Both the solid solution and precipitation are mainly strengthening mechanism for the magnesium-based alloys. A great number of alloying elements can be dissolved into the Mg matrix to form the solutes and precipitates.Moreover, the type of precipitates varies with different alloying elements and heat treatments, which makes it quite difficult to understand the formation mechanism of the precipitates in Mg-based alloys in depth. Thus, it is very hard to give a systematical regularity in precipitation process for the Mg-based alloys. This review is mainly focused on the formation and microstructural evolution of the precipitates, as a hot topic for the past few years, including Guinier-Preston Zones, quasicrystals and long-period stacking ordered phases formed in a number of Mg-TM-RE alloy systems, where TM = Al, Zn, Zr and RE = Y,Gd, Hd, Ce and La.
基金support of the National Natural Science Foundation of China (No.50571073)the Ph.D. Programs Foundation of Ministry of Education of China (No. 20111402110004)the Natural Science Foundation of Shanxi Province, China (No.2009011028-3)
文摘Mg-Zn-Y alloys with long-period stacking ordered structures were prepared by an ingot casting method. The corrosion performance of Mg-Zn-Y alloys was studied by combining gas-collecting test, immersion test and electrochemical measurements in order to determine the corrosion rate and mechanism of the alloys. The results showed that the volume fraction of Mg（12）YZn phase increased and the shape of the Mg（12）YZn phase changed from discontinuous to continuous net-like with increasing Zn and Y content. The corrosion rate of the alloys greatly depended on the distribution and volume fraction of the Mg（12）YZn phase. Corrosion products appeared at the junction of Mg phase and Mg（12）YZn phase, indicating that the Mg（12）YZn phase accelerated galvanic corrosion of Mg matrix. Mg（97）Zn1Y2 alloy shows the lowest corrosion rate due to the continuous distribution of Mg（12）YZn phase.
基金supported by National Natural Science Foundation of China under Grant No. U1435206 and No. 51672064
文摘The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases have been discovered, which enriches the family of MAX phases, and opens a new window to tailor the properties of MAX phases and to develop new MXenes. In the present work, we explored possible ordered quaternary MAB phases with Cr3AlB4 structure(space group: Pmmm) by first-principles calculations. The predictions show that M2M’AlB4 phases with M = Mn, Fe, Co and M’ = Cr, Mo, W exhibit strong tendency of ordering, where M locates at 2t site(0.5, 0.5, z2t) and M’ locates at 1 g site(0, 0.5,0.5). The main driving force of ordering may be the differences in bonding strengths between Al and M elements. Analyses on chemical bonds reveal that bonding strengths increase following the order:Al-Mn < Al-Fe < Al-Co, which is consistent with the prediction that ordering tendency increases when M changes from Mn to Co, as derived from enthalpy differences. The ordered M2M’AlB4 phases with M =Mn or Fe are predicted ferromagnetic and ordered M2M’AlB4 phases display lower shear resistance and possibly better ductility in comparison to Cr3AlB4.
基金National Natural Science Foundation of China(51471031,U1660115)the State Key Laboratory for Advanced Metals and Materials(2016Z-17)are gratefully acknowledged.
文摘Large-scale Fe-6.5 wt.%Si ingot with excellent formability is required for a pilot line producing sheets through hot/cold rolling.The variation of the as-cast microstructure,ordered structures and the formability of the Fe-6.5 wt.%Si alloy ingots with the cooling rate during casting was investigated.Under air-cooling condition,inhomogeneous microstructures with a low proportion of equiaxed grains were formed,but the formation of ordered structures was partially inhibited,especially DO3.Homogeneous microstructures with a high proportion of equiaxed grains were observed under the condition of furnace cooling,but the ordered structures were fully generated,and the degree of order is high.It is generally believed that high degree of order is the main factor of brittleness,but the homogeneous microstructure(including grain morphology and size)of the furnace-cooled sample helps to improve the formability.The influence of these two aspects on formability is contradictory.Therefore,the formability is tested through the flow stress during the compression and the microstructure after the compression.The results show that the furnace-cooled sample has better formability.For large-scale ingots,the control of as-cast microstructure becomes more significant than the control of degree of order.Slow cooling during casting is important for the large-scale ingots to have good formability meeting the requirements of direct hot rolling.
基金The authors gratefully acknowledge the financial support from the National Natural Science Foundation of China(Nos.12072212 and 11832007)the National Key Research and Development Program of China(No.2018YFE0307104)the Applied Basic Research Programs of Sichuan Province(No.2021YJ0071).We also highly appreciate the help of Dr.Yan Li from the Department of Mechanics,Sichuan University.
文摘Magnesium alloys with a long-period stacking ordered(LPSO)structure usually possess excellent static strength,but their fatigue behaviors are poorly understood.This work presents the effect of the LPSO structure on the crack behaviors of Mg alloys in a very high cycle fatigue(VHCF)regime.The LPSO lamellas lead to a facet-like cracking process along the basal planes at the crack initiation site and strongly prohibit the early crack propagation by deflecting the growth direction.The stress intensity factor at the periphery of the faceted area is much higher than the conventional LPSO-free Mg alloys,contributing higher fatigue crack propagation threshold of LPSO-containing Mg alloys.Microstructure observation at the facets reveals a layer of ultrafine grains at the fracture surface due to the cyclic contact of the crack surface,which supports the numerous cyclic pressing model describing the VHCF crack initiation behavior.
基金supported by the Opening Project of Jiangsu Key Laboratory of Advanced Metallic Materials (No. AMM201007)the Natural Science Foundation of Jiangsu Province of China (No. BK2010521)
文摘The recent development of high-strength magnesium alloys is focused on the role of the strengthening phases with a novel long-period stacking-ordered (LPSO) structure. This review detailed the main factors influencing the formation of LPSO phases, including alloying ele-ments, preparation methods, and heat treatments. Furthermore, process control in structure types, formation and transformation behavior, strengthening and toughening mechanisms of the LPSO phase were discussed. Finally, the current problems and development trends of high-strength Mg-Zn-RE alloys were also put forward.
基金B.V.Konovalova., N.A. Koneva and E.V.Kozlov acknowledge the INTAS for the partial support of this research under INTAS97-319
文摘It was revealed that an average energy of special boundaries is proportional to APB energy in the alloys with the L12 superstructure. This fact proves the appearance of the GAPBs in the planes of location of special boundaries in coincidence sites of ordered alloys. It was determined that the more energy of special boundaries in ordered alloys, the more energy of complex stacking fault. There is a correlation between the distribution of special boundaries as a function its relative energy and ordering energy: the more ordering energy, the more degree of washed away of distribution. The correlation between average relative energy of special boundaries and ordering energy was detected: the more ordering energy, the more average energy of special boundaries. The reverse dependence between ordering energy and average number of special boundaries in grains limited by boundaries of general type was discovered.
文摘The formation of cold rolling textures in FeCo, CuZn and Fe 3Al based alloys with B2 structure was analyzed using X ray diffraction technology. The difference of deformation textures obviously demonstrated the different behaviors of plastic deformation in the alloys. The boundary energy of anti phase domains has important influence on the crystallographic behaviors of B2 ordered alloys during deformation. The activation of slip systems on the ｛110｝ planes should be the main deformation mechanism in B2 ordered alloys. The mechanical twinning on ｛112｝ planes appeared frequently in CuZn alloy with lower boundary energy of anti phase domains, while a rather typical rolling texture like that in BCC metals was observed in Fe 3Al alloy with incomplete B2 structure, indicating that its boundary energy of anti phase domains does not have important influence on the deformation mechanism similar to BCC metals.
