We propose a novel fast numerical calculation method for the Rayleigh-Sommerfeld diffraction integral,which is developed based on the existing scaled convolution method.This approach enables fast cal-culations for gen...We propose a novel fast numerical calculation method for the Rayleigh-Sommerfeld diffraction integral,which is developed based on the existing scaled convolution method.This approach enables fast cal-culations for general cases of off-axis scenarios where the sampling intervals and numbers of the input and observation planes are unequal.Additionally,it allows for arbitrary adjustment of the sampling interval of the impulse response function,facilitating a manual trade-off between computational load and accuracy.The er-rors associated with this method,which is equivalent to interpolation,primarily arise from the discontinuities of the sampling matrix of the impulse response function on its boundaries of periodic extension.To address this issue,we propose the concept of the padding function and its construction method,and evaluate its ef-fectiveness in enhancing computational accuracy.The feasibility of the proposed method is verified by nu-merical simulation and compared with the direct integration DI-method in a simplified scenario.It shows that the proposed method has good computational accuracy for the general case where the sampling interval of the input and observation plane is not equal under non-near-field diffraction,and when the diffraction distance is large,although the computational accuracy of the proposed method cannot exceed that of the DI-method,the computational amount can be significantly reduced with almost no effect on the computational accuracy.This method provides a general numerical calculation scheme of diffraction in the non-near field case for areas such as computational holography.展开更多
The multi-principal element characteristic of high-entropy alloys has revolutionized the conventional alloy design concept of single-principal element,endowing them with excellent mechanical properties.However,owing t...The multi-principal element characteristic of high-entropy alloys has revolutionized the conventional alloy design concept of single-principal element,endowing them with excellent mechanical properties.However,owing to this multi-principal element nature,high-entropy alloys exhibit complex deformation behavior dominated by alternating and coupled deformation mechanisms.Therefore,elucidating these intricate deformation mechanisms remains a key challenge in current research.Neutron diffraction(ND)techniques offer distinct advantages over traditional microscopic methods for characterizing such complex deformation behavior.The strong penetration capability of neutrons enables in-situ,real-time,and non-destructive detection of structural evolution in most centimeter-level bulk samples under complex environments,and ND allows precise characterization of lattice site occupations for light elements,such as C and O,and neighboring elements.This review discussed the principles of ND,experiment procedures,and data analysis.Combining with recent advances in the research about face-centered cubic high-entropy alloy,typical examples of using ND to investigate the deformation behavior were summarized,ultimately revealing deformation mechanisms dominated by dislocations,stacking faults,twinning,and phase transformations.展开更多
Achieving extreme fast charging(XFC,-6 C)capability remains a challenge for Li ion batteries in electric vehicle applications.This work employs time-resolved X-ray diffraction(XRD)to investigate the structural evoluti...Achieving extreme fast charging(XFC,-6 C)capability remains a challenge for Li ion batteries in electric vehicle applications.This work employs time-resolved X-ray diffraction(XRD)to investigate the structural evolution and capacity contributions of a series of LiNi_(x)Co_(y)Mn_(z)O_(2)(x+y+z=1,NCM)cathodes under XFC conditions.All NCM cathodes(NCM-92,NCM-83,and NCM-622)deliver -60%of their capacities with less than 2%unit cell volume expansion during the H1-H2 phase transition,but the subsequent H2-H3 phase transition exhibits significant compositional and rate dependence.The NCM-92 cathode shows a maximum d-spacing shrinkage of-5.3%at 6 C,which is larger than that of NCM-83(-4.1%)and NCM-622(-0.05%).Furthermore,NCM-92 follows a“phase heterogeneity”pathway for its structural evolution above 4.2 V,distinct from the“solid-solution”pathway observed in NCM-83 and NCM-622.This phase heterogeneity is evidenced by the splitting of the(003)diffraction peak and a decrease in intensity during the H2-H3 phase transition,indicating the formation of lithium-rich/depleted domains.These findings establish a direct correlation between cathode composition,structural dynamics,and XFC performance,highlighting a critical trade-off between structural stability and fast-charging capability in nickel-rich layered oxides.展开更多
Feature extraction in the optical domain offers a promising low-latency,high-throughput solution.Optical diffraction-based feature extraction operating under a coherent light source can further achieve parallel output...Feature extraction in the optical domain offers a promising low-latency,high-throughput solution.Optical diffraction-based feature extraction operating under a coherent light source can further achieve parallel outputs with low energy consumption.However,it presents significant challenges for maintaining the coherent input,scaling the operation rates beyond 10 GHz,and ensuring the effective extraction of functional configuration simultaneously.We propose an optical feature extraction engine(OFE^(2)),which is composed of a diffraction operator and a data preparation module,powering high-speed feature extraction for both image and temporal series tasks.This OFE^(2)can achieve a core latency of less than 250.5 ps;in addition,it can reach a throughput of 250 GOPS and an efficiency of 2.06 TOPS/W.Supported by the OFE^(2),a novel feature extraction paradigm is emerging,enabling high-speed,low-latency service access for applications in scene recognition,medical assistance,and digital finance.展开更多
The effects of solid solution on the deformation behavior of binary Mg-xZn(x=0,1,2 wt%)alloys featuring a designated texture that enables extension twinning under tension parallel to the basal pole in most grains,were...The effects of solid solution on the deformation behavior of binary Mg-xZn(x=0,1,2 wt%)alloys featuring a designated texture that enables extension twinning under tension parallel to the basal pole in most grains,were investigated using in-situ neutron diffraction and the EVPSC-TDT model.Neutron diffraction was used to quantitatively track grain-level lattice strains and diffraction intensity changes(related to mechanical twinning)in differently oriented grains of each alloy during cyclic tensile/compressive loadings.These measurements were accurately captured by the model.The stress-strain curves of Mg-1 wt%Zn and Mg-2 wt%Zn alloys show as-expected solid solution strengthening from the addition of Zn compared to pure Mg.The macroscopic yielding and hardening behaviors are explained by alternating slip and twinning modes as calculated by the model.The solid solution's influence on individual deformation modes,including basal〈a〉slip,prismatic〈a〉slip,and extension twinning,was then quantitatively assessed in terms of activity,yielding behavior,and hardening response by combining neutron diffraction results with crystal plasticity predictions.The Mg-1 wt%Zn alloy displays distinct yielding and hardening behavior due to solid solution softening of prismatic〈a〉slip.Additionally,the dependence of extension twinning,in terms of the twinning volume fraction,on Zn content exhibits opposite trends under tensile and compressive loadings.展开更多
Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and ...Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and quantifying these superstructures hinder the optimization of pyrrhotite depression in flotation processes.To address this critical issue,synchrotron X-ray powder diffraction(S-XRPD)with Rietveld refinement was employed to quantify the distribution of superstructures in the feed and flotation concentrates of a copper–gold ore.To elucidate the mechanisms influencing depression,density functional theory(DFT)calculations were conducted to explore the electronic structures and surface reactivity of the pyrrhotite superstructures toward the adsorption of water,oxygen and hydroxyl ions(OH-)as dominant species present in the flotation process.S-XRPD analysis revealed that flotation recovery rates of pyrrhotite followed the order of 4C<6C<5C.DFT calculations indicated that the Fe 3d and S 3p orbital band centers exhibited a similar trend relative to the Fermi level with 4C being the closest.The Fe3d band center suggested that the 4C structure possessed a more reactive surface toward the oxygen reduction reaction,promoting the formation of hydrophilic Fe-OH sites.The S 3p band center order also implied that xanthate on the non-magnetic 5C and 6C surfaces could oxidize to dixanthogen,increasing hydrophobicity and floatability,while 4C formed less hydrophobic metal-xanthate complexes.Adsorption energy and charge transfer analyses of water,hydroxyl ions and molecular oxygen further supported the high reactivity and hydrophilic nature of 4C pyrrhotite.The strong bonding with hydroxyl ions indicated enhanced surface passivation by hydrophilic Fe–OOH complexes,aligning with the experimentally observed flotation order(4C<6C<5C).These findings provide a compelling correlation between experimental flotation results and electronic structure calculations,delivering crucial insights for optimizing flotation processes and improving pyrrhotite depression.This breakthrough opens up new opportunities to enhance the efficiency of flotation processes in the mining industry.展开更多
We present a vectorial optical field(VOF) framework that surpasses the diffraction limit in both long-range imaging and energy delivery. By jointly engineering spatial and temporal dimensions, reflective Fourier ptych...We present a vectorial optical field(VOF) framework that surpasses the diffraction limit in both long-range imaging and energy delivery. By jointly engineering spatial and temporal dimensions, reflective Fourier ptychography is extended to 3.2 km with 0.37× the classical diffraction limit, while a single-photon Li DAR tomography system achieves centimeter-scale, sub-diffraction imaging at 3.3 km using superconducting nanowire single-photon detectors. These advances demonstrate super-resolution, turbulence-resilient imaging over kilometer-range distances. Beyond super-resolution optical, high power VOFs are able to counteract thermal blooming during atmospheric laser propagation, enhancing on-target power density by a factor larger than 2. Together, these results may outline a cross-scale paradigm that links highpower vector-field structuring, single-photon detection, and adaptive control-offering a pathway toward next-generation optical systems that integrate imaging, sensing, communication and directed energy within a common physical framework.展开更多
High-precision optical frequency measurement serves as a cornerstone of modern science and technology,enabling advancements in fields ranging from fundamental physics to quantum information technologies.Obtaining prec...High-precision optical frequency measurement serves as a cornerstone of modern science and technology,enabling advancements in fields ranging from fundamental physics to quantum information technologies.Obtaining precise photon frequencies,especially in the ultraviolet or even extreme ultraviolet regimes,is a key goal in both light–matter interaction experiments and engineering applications.High-order harmonic generation(HHG)is an ideal light source for producing such photons.In this work,we propose an optical temporal interference model(OTIM)that establishes an analogy with multi-slit Fraunhofer diffraction(MSFD)to manipulate fine-frequency photon generation by exploiting the temporal coherence of HHG processes.Our model provides a unified physical framework for three distinct non-integer HHG generation schemes:single-pulse,shaped-pulse,and laser pulse train approaches,which correspond to single-MSFD-like,double-MSFD-like,and multi-MSFD-like processes,respectively.Arbitrary non-integer HHG photons can be obtained using our scheme.Our approach provides a new perspective for accurately measuring and controlling photon frequencies in fields such as frequency comb technology,interferometry,and atomic clocks.展开更多
Owing to their intricate molecular frameworks and copious chiral centers,the structural identification and configurational assignment of natural products are challenging tasks.Comprehensive spectral data analysis is c...Owing to their intricate molecular frameworks and copious chiral centers,the structural identification and configurational assignment of natural products are challenging tasks.Comprehensive spectral data analysis is crucial for the confirmation of absolute configurations.Ignoring critical parameters will lead to false structure,which may confuse the total synthesis and drug development.Herein,the configurations of seven heterogeneous Pallavicinia diterpenoids(PDs) isolated from Pallavicinia liverworts are revised using a combination of single-crystal X-ray diffraction and electronic circular dichroism(ECD) calculations.Meanwhile,identification of five unprecedented PD heterodimers PD-dimers A-E(18-22) along with eleven previously undescribed PDs(5-9,13-17,23) obtained by the reinvestigation of the Chinese liverwort Pallavicinia subciliata have resulted in corrections and support the revised conclusions.展开更多
Background:Os Draconis is an important material in traditional Chinese medicine(TCM).However,its market is saturated with counterfeit products,and the limitations of current identification methods pose a serious threa...Background:Os Draconis is an important material in traditional Chinese medicine(TCM).However,its market is saturated with counterfeit products,and the limitations of current identification methods pose a serious threat to clinical effectiveness and drug safety.This study aims to establish a more accurate and comprehensive authentication system for Os Draconis.Methods:A comprehensive approach was employed to analyze authentic Os Draconis,fossilized Os Draconis,counterfeit products,and lab-prepared modern animal bones.The analytical techniques included ^(14)C dating,electron probe microanalysis(EPMA),polarized light microscopy,X-ray diffraction(XRD),inductively coupled plasma mass spectrometry(ICP-MS),and fourier-transform infrared spectroscopy(FTIR).The study focused on examining the microstructural features and micro-area elemental compositions to identify distinguishing characteristics.Results:Physical identification alone was insufficient to reliably distinguish authentic Os Draconis from its counterfeits.XRD analysis revealed that while hydroxyapatite is the main component in all samples,authentic Os Draconis also contains calcium carbonate and quartz,which were absent in counterfeit and lab-prepared samples.FTIR spectra identified the carbonate ion(CO_(3)^(2-))as a characteristic infrared marker for authentic Os Draconis.ICP-MS analysis showed that Ca and P are the major elements,with a notably high content of Lanthanum(La)among rare earth elements in authentic samples.The EPMA results demonstrated that the Ca/P ratio of authentic Os Draconis is distinct,falling between that of fossilized Os Draconis and counterfeit samples.Conclusion:This study successfully identified several precise markers,including the presence of calcium carbonate,the characteristic CO_(3)^(2-)infrared peak,a high La content,and a specific Ca/P ratio,for the accurate and rapid authentication of Os Draconis.Furthermore,the analysis of its natural porous structure,suitable pore size,and surface area suggests that Os Draconis has significant potential as a natural drug carrier.展开更多
To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuou...To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuous rotation electron diffraction(cryo-cRED)with a low-dose strategy to determine the crystal structure of CL30,a novel silicogermanate framework.It is confirmed that CL30 crystallizes in the C2/m space group and has layered topology composed of discontinuous zigzag chains connected by double four-membered ring(d4r)units,with fluoride anions(F^(-))occluded in the d4r units.In CL30,charge balance involves organic structure-directing agent(OSDA)cations,occluded F^(-),and terminal oxygen sites whose protonation state cannot be established from the present three dimensional(3D)ED data.F^(-)encapsulated in the d4r units contributes to charge compensation as the counter-anion to OSDA cations,rather than only balancing the framework charge.Although the refinement indices(R_(1)=0.29,wR_(2)=0.71)exceeded typical small-molecule crystallography standards,the structural model remained highly reliable,as supported by geometric restraints and validation.In electron diffraction,elevated R_(1) values are commonly attributed to the intrinsic factors of the technique,such as dynamic scattering,detector noise from scintillator-based detectors,and TEM stage instability(large spheres of confusion).This study introduces a new structural prototype to the silicogermanate family and establishes a feasible workflow for determining the structures of radiation-sensitive microcrystalline porous materials.展开更多
The effect of silicon doping on the residual stress of CVD diamond films is examined using both X-ray diffraction (XRD) analysis and Raman spectroscopy measurements. The examined Si-doped diamond films are deposited o...The effect of silicon doping on the residual stress of CVD diamond films is examined using both X-ray diffraction (XRD) analysis and Raman spectroscopy measurements. The examined Si-doped diamond films are deposited on WC-Co substrates in a home-made bias-enhanced HFCVD apparatus. Ethyl silicate (Si(OC2H5)4) is dissolved in acetone to obtain various Si/C mole ratio ranging from 0.1% to 1.4% in the reaction gas. Characterizations with SEM and XRD indicate increasing silicon concentration may result in grain size decreasing and diamond [110] texture becoming dominant. The residual stress values of as-deposited Si-doped diamond films are evaluated by both sin2ψ method, which measures the (220) diamond Bragg diffraction peaks using XRD, with ψ-values ranging from 0° to 45°, and Raman spectroscopy, which detects the diamond Raman peak shift from the natural diamond line at 1332 cm-1. The residual stress evolution on the silicon doping level estimated from the above two methods presents rather good agreements, exhibiting that all deposited Si-doped diamond films present compressive stress and the sample with Si/C mole ratio of 0.1% possesses the largest residual stress of ~1.75 GPa (Raman) or ~2.3 GPa (XRD). As the silicon doping level is up further, the residual stress reduces to a relative stable value around 1.3 GPa.展开更多
Self-assembled monolayers （SAMs） of （3-mercaptopropy） trimethoxysilane （3-MtrF） chemisorbed on silver surfaces were chemically ＂modified by 1-octadecanethiol to form self-assembled mixed-monolayers （SAMM） and...Self-assembled monolayers （SAMs） of （3-mercaptopropy） trimethoxysilane （3-MtrF） chemisorbed on silver surfaces were chemically ＂modified by 1-octadecanethiol to form self-assembled mixed-monolayers （SAMM） and the co-polymer of N-vinylcarbazole and methyl methacrylate ester （to form complex selfassembled film （CSAF））. The oxidation resistance of these barriers on silver surfaces and some influential factors concerned processes were analyzed by electrochemical impedance spectroscopy （EIS） in a 10% NaOH aqueous solution at oxidation potential. X-ray diffraction （XRD） spectroscopy shows that the oxidation occurring on the silver surface may be restrained effectively due to the coating barrier, and CSAF（Ⅱ） is the best one. Studies also reveal that oxide processes of bare silver and a series of modified silver electrodes in a 10% NaOH aqueous solution are of more than two relaxation time constants.展开更多
Residual stresses can have a strong effect on the usability of machined parts,and the X-ray diffraction(XRD)measuring equipment,which is commonly used to measure residual stresses,is very expensive.This paper presents...Residual stresses can have a strong effect on the usability of machined parts,and the X-ray diffraction(XRD)measuring equipment,which is commonly used to measure residual stresses,is very expensive.This paper presents a method of measuring the residual stresses induced by boring in the internal surface of a tube with much cheaper equipment.The method,called the strain-based method is mainly based on the strains measured on the external surface of the tube.It is proposed on the basis of the very long tube assumption.The finite element method(FEM)analysis is thus used to validate the length of the tube.Guided by the FEM results,an appropriate length of the tube is chosen,and the residual stresses are obtained from both the strain-based method and the XRD method.Stress profiles obtained from both two methods are compared.The comparison result indicates that the profiles of the two methods agree well with each other.Therefore,it can be concluded that the accuracy of the strain-based method is high enough,and it can be applied to residual stress measurement in practice.展开更多
文摘We propose a novel fast numerical calculation method for the Rayleigh-Sommerfeld diffraction integral,which is developed based on the existing scaled convolution method.This approach enables fast cal-culations for general cases of off-axis scenarios where the sampling intervals and numbers of the input and observation planes are unequal.Additionally,it allows for arbitrary adjustment of the sampling interval of the impulse response function,facilitating a manual trade-off between computational load and accuracy.The er-rors associated with this method,which is equivalent to interpolation,primarily arise from the discontinuities of the sampling matrix of the impulse response function on its boundaries of periodic extension.To address this issue,we propose the concept of the padding function and its construction method,and evaluate its ef-fectiveness in enhancing computational accuracy.The feasibility of the proposed method is verified by nu-merical simulation and compared with the direct integration DI-method in a simplified scenario.It shows that the proposed method has good computational accuracy for the general case where the sampling interval of the input and observation plane is not equal under non-near-field diffraction,and when the diffraction distance is large,although the computational accuracy of the proposed method cannot exceed that of the DI-method,the computational amount can be significantly reduced with almost no effect on the computational accuracy.This method provides a general numerical calculation scheme of diffraction in the non-near field case for areas such as computational holography.
基金National Key R&D Program of China(2023YFB3711904,2022YFA1603801)National Natural Science Foundation of China(12404230,52471181,52301213,52130108,52471005)+2 种基金National Nature Science Foundation of Zhejiang Province(LY23E010002)Open Fund of the China Spallation Neutron Source,Songshan Lake Science City(KFKT2023B11)Guangdong Basic and Applied Basic Research Foundation(2022A1515110805,2024A1515010878)。
文摘The multi-principal element characteristic of high-entropy alloys has revolutionized the conventional alloy design concept of single-principal element,endowing them with excellent mechanical properties.However,owing to this multi-principal element nature,high-entropy alloys exhibit complex deformation behavior dominated by alternating and coupled deformation mechanisms.Therefore,elucidating these intricate deformation mechanisms remains a key challenge in current research.Neutron diffraction(ND)techniques offer distinct advantages over traditional microscopic methods for characterizing such complex deformation behavior.The strong penetration capability of neutrons enables in-situ,real-time,and non-destructive detection of structural evolution in most centimeter-level bulk samples under complex environments,and ND allows precise characterization of lattice site occupations for light elements,such as C and O,and neighboring elements.This review discussed the principles of ND,experiment procedures,and data analysis.Combining with recent advances in the research about face-centered cubic high-entropy alloy,typical examples of using ND to investigate the deformation behavior were summarized,ultimately revealing deformation mechanisms dominated by dislocations,stacking faults,twinning,and phase transformations.
基金financially supported by Fujian Science&Technology Innovation Laboratory for Energy Devices of China(21C LAB)。
文摘Achieving extreme fast charging(XFC,-6 C)capability remains a challenge for Li ion batteries in electric vehicle applications.This work employs time-resolved X-ray diffraction(XRD)to investigate the structural evolution and capacity contributions of a series of LiNi_(x)Co_(y)Mn_(z)O_(2)(x+y+z=1,NCM)cathodes under XFC conditions.All NCM cathodes(NCM-92,NCM-83,and NCM-622)deliver -60%of their capacities with less than 2%unit cell volume expansion during the H1-H2 phase transition,but the subsequent H2-H3 phase transition exhibits significant compositional and rate dependence.The NCM-92 cathode shows a maximum d-spacing shrinkage of-5.3%at 6 C,which is larger than that of NCM-83(-4.1%)and NCM-622(-0.05%).Furthermore,NCM-92 follows a“phase heterogeneity”pathway for its structural evolution above 4.2 V,distinct from the“solid-solution”pathway observed in NCM-83 and NCM-622.This phase heterogeneity is evidenced by the splitting of the(003)diffraction peak and a decrease in intensity during the H2-H3 phase transition,indicating the formation of lithium-rich/depleted domains.These findings establish a direct correlation between cathode composition,structural dynamics,and XFC performance,highlighting a critical trade-off between structural stability and fast-charging capability in nickel-rich layered oxides.
基金supported by the National Key Research and Development Program of China(Grant No.2024YFE0203600)the National Natural Science Foundation of China(Grant No.62135009).
文摘Feature extraction in the optical domain offers a promising low-latency,high-throughput solution.Optical diffraction-based feature extraction operating under a coherent light source can further achieve parallel outputs with low energy consumption.However,it presents significant challenges for maintaining the coherent input,scaling the operation rates beyond 10 GHz,and ensuring the effective extraction of functional configuration simultaneously.We propose an optical feature extraction engine(OFE^(2)),which is composed of a diffraction operator and a data preparation module,powering high-speed feature extraction for both image and temporal series tasks.This OFE^(2)can achieve a core latency of less than 250.5 ps;in addition,it can reach a throughput of 250 GOPS and an efficiency of 2.06 TOPS/W.Supported by the OFE^(2),a novel feature extraction paradigm is emerging,enabling high-speed,low-latency service access for applications in scene recognition,medical assistance,and digital finance.
基金supported by the National Research Foundation grant funded by the Korean government(No,2023R1A2C2007190,RS-2024-00398068)partially funded by the Natural Science Foundation of Shandong Province,China(No.ZR2022QE206).
文摘The effects of solid solution on the deformation behavior of binary Mg-xZn(x=0,1,2 wt%)alloys featuring a designated texture that enables extension twinning under tension parallel to the basal pole in most grains,were investigated using in-situ neutron diffraction and the EVPSC-TDT model.Neutron diffraction was used to quantitatively track grain-level lattice strains and diffraction intensity changes(related to mechanical twinning)in differently oriented grains of each alloy during cyclic tensile/compressive loadings.These measurements were accurately captured by the model.The stress-strain curves of Mg-1 wt%Zn and Mg-2 wt%Zn alloys show as-expected solid solution strengthening from the addition of Zn compared to pure Mg.The macroscopic yielding and hardening behaviors are explained by alternating slip and twinning modes as calculated by the model.The solid solution's influence on individual deformation modes,including basal〈a〉slip,prismatic〈a〉slip,and extension twinning,was then quantitatively assessed in terms of activity,yielding behavior,and hardening response by combining neutron diffraction results with crystal plasticity predictions.The Mg-1 wt%Zn alloy displays distinct yielding and hardening behavior due to solid solution softening of prismatic〈a〉slip.Additionally,the dependence of extension twinning,in terms of the twinning volume fraction,on Zn content exhibits opposite trends under tensile and compressive loadings.
基金supported by the Australian Research Council Linkage Project(No.LP200200717)co sponsored by Newmont Corporation(United States)and Vega Industries(India)+1 种基金the Powder Diffraction Beamline at the Australia’s Nuclear Science and Technology Organisation(No.PDR19870),Australiathe Centre for Microscopy and Microanalysis at the University of Queensland(No.1366),Australia。
文摘Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and quantifying these superstructures hinder the optimization of pyrrhotite depression in flotation processes.To address this critical issue,synchrotron X-ray powder diffraction(S-XRPD)with Rietveld refinement was employed to quantify the distribution of superstructures in the feed and flotation concentrates of a copper–gold ore.To elucidate the mechanisms influencing depression,density functional theory(DFT)calculations were conducted to explore the electronic structures and surface reactivity of the pyrrhotite superstructures toward the adsorption of water,oxygen and hydroxyl ions(OH-)as dominant species present in the flotation process.S-XRPD analysis revealed that flotation recovery rates of pyrrhotite followed the order of 4C<6C<5C.DFT calculations indicated that the Fe 3d and S 3p orbital band centers exhibited a similar trend relative to the Fermi level with 4C being the closest.The Fe3d band center suggested that the 4C structure possessed a more reactive surface toward the oxygen reduction reaction,promoting the formation of hydrophilic Fe-OH sites.The S 3p band center order also implied that xanthate on the non-magnetic 5C and 6C surfaces could oxidize to dixanthogen,increasing hydrophobicity and floatability,while 4C formed less hydrophobic metal-xanthate complexes.Adsorption energy and charge transfer analyses of water,hydroxyl ions and molecular oxygen further supported the high reactivity and hydrophilic nature of 4C pyrrhotite.The strong bonding with hydroxyl ions indicated enhanced surface passivation by hydrophilic Fe–OOH complexes,aligning with the experimentally observed flotation order(4C<6C<5C).These findings provide a compelling correlation between experimental flotation results and electronic structure calculations,delivering crucial insights for optimizing flotation processes and improving pyrrhotite depression.This breakthrough opens up new opportunities to enhance the efficiency of flotation processes in the mining industry.
基金supported by Temporal-spatial manipulation Infrastructure for vector Fields in Optics-Test Facility(TIFO-TF)the National Natural Science Foundation of China(U24A6010,62222513)。
文摘We present a vectorial optical field(VOF) framework that surpasses the diffraction limit in both long-range imaging and energy delivery. By jointly engineering spatial and temporal dimensions, reflective Fourier ptychography is extended to 3.2 km with 0.37× the classical diffraction limit, while a single-photon Li DAR tomography system achieves centimeter-scale, sub-diffraction imaging at 3.3 km using superconducting nanowire single-photon detectors. These advances demonstrate super-resolution, turbulence-resilient imaging over kilometer-range distances. Beyond super-resolution optical, high power VOFs are able to counteract thermal blooming during atmospheric laser propagation, enhancing on-target power density by a factor larger than 2. Together, these results may outline a cross-scale paradigm that links highpower vector-field structuring, single-photon detection, and adaptive control-offering a pathway toward next-generation optical systems that integrate imaging, sensing, communication and directed energy within a common physical framework.
基金supported by the National Natural Science Foundation of China(Grant No.12304379)the Natural Science Foundation of Liaoning Province(Grant No.2024BS-269)the Guangdong Basic and Applied Basic Research Foundation(Grant No.025A1515011117)。
文摘High-precision optical frequency measurement serves as a cornerstone of modern science and technology,enabling advancements in fields ranging from fundamental physics to quantum information technologies.Obtaining precise photon frequencies,especially in the ultraviolet or even extreme ultraviolet regimes,is a key goal in both light–matter interaction experiments and engineering applications.High-order harmonic generation(HHG)is an ideal light source for producing such photons.In this work,we propose an optical temporal interference model(OTIM)that establishes an analogy with multi-slit Fraunhofer diffraction(MSFD)to manipulate fine-frequency photon generation by exploiting the temporal coherence of HHG processes.Our model provides a unified physical framework for three distinct non-integer HHG generation schemes:single-pulse,shaped-pulse,and laser pulse train approaches,which correspond to single-MSFD-like,double-MSFD-like,and multi-MSFD-like processes,respectively.Arbitrary non-integer HHG photons can be obtained using our scheme.Our approach provides a new perspective for accurately measuring and controlling photon frequencies in fields such as frequency comb technology,interferometry,and atomic clocks.
基金supported by the National Natural Science Foundation of China (Nos.82293682,82293684,and 82173703)。
文摘Owing to their intricate molecular frameworks and copious chiral centers,the structural identification and configurational assignment of natural products are challenging tasks.Comprehensive spectral data analysis is crucial for the confirmation of absolute configurations.Ignoring critical parameters will lead to false structure,which may confuse the total synthesis and drug development.Herein,the configurations of seven heterogeneous Pallavicinia diterpenoids(PDs) isolated from Pallavicinia liverworts are revised using a combination of single-crystal X-ray diffraction and electronic circular dichroism(ECD) calculations.Meanwhile,identification of five unprecedented PD heterodimers PD-dimers A-E(18-22) along with eleven previously undescribed PDs(5-9,13-17,23) obtained by the reinvestigation of the Chinese liverwort Pallavicinia subciliata have resulted in corrections and support the revised conclusions.
基金supported by the Scientific and Technological Innovation Project of the China Academy of Chinese Medical Sciences(CI2021A04013)the National Natural Science Foundation of China(82204610)+1 种基金the Qihang Talent Program(L2022046)the Fundamental Research Funds for the Central Public Welfare Research Institutes(ZZ15-YQ-041 and L2021029).
文摘Background:Os Draconis is an important material in traditional Chinese medicine(TCM).However,its market is saturated with counterfeit products,and the limitations of current identification methods pose a serious threat to clinical effectiveness and drug safety.This study aims to establish a more accurate and comprehensive authentication system for Os Draconis.Methods:A comprehensive approach was employed to analyze authentic Os Draconis,fossilized Os Draconis,counterfeit products,and lab-prepared modern animal bones.The analytical techniques included ^(14)C dating,electron probe microanalysis(EPMA),polarized light microscopy,X-ray diffraction(XRD),inductively coupled plasma mass spectrometry(ICP-MS),and fourier-transform infrared spectroscopy(FTIR).The study focused on examining the microstructural features and micro-area elemental compositions to identify distinguishing characteristics.Results:Physical identification alone was insufficient to reliably distinguish authentic Os Draconis from its counterfeits.XRD analysis revealed that while hydroxyapatite is the main component in all samples,authentic Os Draconis also contains calcium carbonate and quartz,which were absent in counterfeit and lab-prepared samples.FTIR spectra identified the carbonate ion(CO_(3)^(2-))as a characteristic infrared marker for authentic Os Draconis.ICP-MS analysis showed that Ca and P are the major elements,with a notably high content of Lanthanum(La)among rare earth elements in authentic samples.The EPMA results demonstrated that the Ca/P ratio of authentic Os Draconis is distinct,falling between that of fossilized Os Draconis and counterfeit samples.Conclusion:This study successfully identified several precise markers,including the presence of calcium carbonate,the characteristic CO_(3)^(2-)infrared peak,a high La content,and a specific Ca/P ratio,for the accurate and rapid authentication of Os Draconis.Furthermore,the analysis of its natural porous structure,suitable pore size,and surface area suggests that Os Draconis has significant potential as a natural drug carrier.
基金supported by the National Natural Science Foundation of China (Grant No.12374021)Beijing Natural Science Foundation (Grant No.1252031)。
文摘To overcome the limitations of traditional single-crystal X-ray diffraction(SCXRD)for microcrystalline materials and the peak-overlapping issue of powder X-ray diffraction(PXRD),this study employed cryogenic continuous rotation electron diffraction(cryo-cRED)with a low-dose strategy to determine the crystal structure of CL30,a novel silicogermanate framework.It is confirmed that CL30 crystallizes in the C2/m space group and has layered topology composed of discontinuous zigzag chains connected by double four-membered ring(d4r)units,with fluoride anions(F^(-))occluded in the d4r units.In CL30,charge balance involves organic structure-directing agent(OSDA)cations,occluded F^(-),and terminal oxygen sites whose protonation state cannot be established from the present three dimensional(3D)ED data.F^(-)encapsulated in the d4r units contributes to charge compensation as the counter-anion to OSDA cations,rather than only balancing the framework charge.Although the refinement indices(R_(1)=0.29,wR_(2)=0.71)exceeded typical small-molecule crystallography standards,the structural model remained highly reliable,as supported by geometric restraints and validation.In electron diffraction,elevated R_(1) values are commonly attributed to the intrinsic factors of the technique,such as dynamic scattering,detector noise from scintillator-based detectors,and TEM stage instability(large spheres of confusion).This study introduces a new structural prototype to the silicogermanate family and establishes a feasible workflow for determining the structures of radiation-sensitive microcrystalline porous materials.
基金Project (51005154) supported by the National Natural Science Foundation of ChinaProject (12CG11) supported by the Chenguang Program of Shanghai Municipal Education Commission, ChinaProject (201104271) supported by the China Postdoctoral Science Foundation
文摘The effect of silicon doping on the residual stress of CVD diamond films is examined using both X-ray diffraction (XRD) analysis and Raman spectroscopy measurements. The examined Si-doped diamond films are deposited on WC-Co substrates in a home-made bias-enhanced HFCVD apparatus. Ethyl silicate (Si(OC2H5)4) is dissolved in acetone to obtain various Si/C mole ratio ranging from 0.1% to 1.4% in the reaction gas. Characterizations with SEM and XRD indicate increasing silicon concentration may result in grain size decreasing and diamond [110] texture becoming dominant. The residual stress values of as-deposited Si-doped diamond films are evaluated by both sin2ψ method, which measures the (220) diamond Bragg diffraction peaks using XRD, with ψ-values ranging from 0° to 45°, and Raman spectroscopy, which detects the diamond Raman peak shift from the natural diamond line at 1332 cm-1. The residual stress evolution on the silicon doping level estimated from the above two methods presents rather good agreements, exhibiting that all deposited Si-doped diamond films present compressive stress and the sample with Si/C mole ratio of 0.1% possesses the largest residual stress of ~1.75 GPa (Raman) or ~2.3 GPa (XRD). As the silicon doping level is up further, the residual stress reduces to a relative stable value around 1.3 GPa.
基金The National Natural Science Foundation of China(Nos.60371027,60171005).
文摘Self-assembled monolayers （SAMs） of （3-mercaptopropy） trimethoxysilane （3-MtrF） chemisorbed on silver surfaces were chemically ＂modified by 1-octadecanethiol to form self-assembled mixed-monolayers （SAMM） and the co-polymer of N-vinylcarbazole and methyl methacrylate ester （to form complex selfassembled film （CSAF））. The oxidation resistance of these barriers on silver surfaces and some influential factors concerned processes were analyzed by electrochemical impedance spectroscopy （EIS） in a 10% NaOH aqueous solution at oxidation potential. X-ray diffraction （XRD） spectroscopy shows that the oxidation occurring on the silver surface may be restrained effectively due to the coating barrier, and CSAF（Ⅱ） is the best one. Studies also reveal that oxide processes of bare silver and a series of modified silver electrodes in a 10% NaOH aqueous solution are of more than two relaxation time constants.
基金Supported by the National Defense Program of China(C152012C002)the Specialized Research Fund for the Doctoral Program of Higher Education of China(20123218120025)
文摘Residual stresses can have a strong effect on the usability of machined parts,and the X-ray diffraction(XRD)measuring equipment,which is commonly used to measure residual stresses,is very expensive.This paper presents a method of measuring the residual stresses induced by boring in the internal surface of a tube with much cheaper equipment.The method,called the strain-based method is mainly based on the strains measured on the external surface of the tube.It is proposed on the basis of the very long tube assumption.The finite element method(FEM)analysis is thus used to validate the length of the tube.Guided by the FEM results,an appropriate length of the tube is chosen,and the residual stresses are obtained from both the strain-based method and the XRD method.Stress profiles obtained from both two methods are compared.The comparison result indicates that the profiles of the two methods agree well with each other.Therefore,it can be concluded that the accuracy of the strain-based method is high enough,and it can be applied to residual stress measurement in practice.
