A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET speci...A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.展开更多
Taking into consideration the changes of the geometric shielding effect in a molecule as the energy of incident electrons varies, this paper presents an empirical fraction, which depends on the energy of incident elec...Taking into consideration the changes of the geometric shielding effect in a molecule as the energy of incident electrons varies, this paper presents an empirical fraction, which depends on the energy of incident electrons, the target＇s molecular dimension and the atomic and electronic numbers in the molecule. Using this empirical fraction, it proposes a new formulation of the additivity rule. Employing the new additivity rule, it calculates the total cross sections of electron scattering by C2H4, C6H6, C6H14 and C8H18 over the energy range from 50 to 5000eV. In order to exclude the calculation deviations caused by solving the radial Schrodinger equation of electron scattering by atoms, here the atomic cross sections are derived from the experimental total cross section results of simple molecules （H2, O2, CO） via the inversion algorithm. The quantitative total cross sections are compared with those obtained by experiments and other theories, and good agreement is obtained over a wide energy range, even at energy of several tens of eV.展开更多
Phase space can be constructed for N equal and distinguishable binary subsystems which are correlated in a scale-invariant manner. In the paper, correlation coefficient and reduced probability are introduced to charac...Phase space can be constructed for N equal and distinguishable binary subsystems which are correlated in a scale-invariant manner. In the paper, correlation coefficient and reduced probability are introduced to characterize the scale-invariant correlated binary subsystems. Probabilistic sets for the correlated binary subsystems satisfy Leibnitz triangle rule in the sense that the marginal probabilities of N-system are equal to the joint probabilities of the （N - 1）-system. For entropic index q ≠ 1, nonextensive entropy Sq is shown to be additive in the scale-invariant occupation of phase space.展开更多
Background Oils are important sources of energy in pig diets.The combination of oils with different degree of saturation contributes to improve the utilization efficiency of the mixed oils and may reduce the cost of o...Background Oils are important sources of energy in pig diets.The combination of oils with different degree of saturation contributes to improve the utilization efficiency of the mixed oils and may reduce the cost of oil supplemented.An experiment was conducted to evaluate the effects of oils with different degree of saturation on the fat digestibility and corresponding additivity and bacterial community in growing pigs.Methods Eighteen crossbred(Duroc×Landrace×Yorkshire)barrows(initial body weight:29.3±2.8 kg)were surgically fitted with a T-cannula in the distal ileum.The experimental diets included a fat-free basal diet and 5 oil-added diets.The 5 oil-added diets were formulated by adding 6%oil with different ratio of unsaturated to saturated fatty acids(U:S)to the basal diet.The 5 oils were palm oil(U:S=1.2),canola oil(U:S=12.0),and palm oil and canola oil were mixed in different proportions to prepare a combination of U:S of 2.5,3.5 and 4.5,respectively.Results The apparent and standardized ileal digestibility(AID and SID)of fat and fatty acids increased linearly(P<0.05)as the U:S of dietary oils increased except for SID of fat and C18:2.The AID and SID of fat and fatty acids differed among the dietary treatments(P<0.05)except for SID of unsaturated fatty acids(UFA)and C18:2.Fitted one-slope broken-line analyses for the SID of fat,saturated fatty acids(SFA)and UFA indicated that the breakpoint for U:S of oil was 4.14(R^(2)=0.89,P<0.01),2.91(R^(2)=0.98,P<0.01)and 3.84(R^(2)=0.85,P<0.01),respectively.The determined SID of fat,C18:1,C18:2 and UFA in the mixtures was not different from the calculated SID of fat,C18:1,C18:2 and UFA.However,the determined SID of C16:0,C18:0 and SFA in the mixtures were greater than the calculated SID values(P<0.05).The abundance of Romboutsia and Turicibacter in pigs fed diet containing palm oil was greater than that in rapeseed oil treatment group,and the two bacteria were negatively correlated with SID of C16:0,C18:0 and SFA(P<0.05).Conclusions The optimal U:S for improving the utilization efficiency of mixed oil was 4.14.The SID of fat and UFA for palm oil and canola oil were additive in growing pigs,whereas the SID of SFA in the mixture of two oils was greater than the sum of the values of pure oils.Differences in fat digestibility caused by oils differing in degree of saturation has a significant impact on bacterial community in the foregut.展开更多
The additivity rule for electron-molecule scattering is revised by considering the difference between the free atom and the bound atom in the molecule. The total cross sections for electron scattering from fluorometha...The additivity rule for electron-molecule scattering is revised by considering the difference between the free atom and the bound atom in the molecule. The total cross sections for electron scattering from fluoromethanes （CF4, CF3H, CF2H2, and CFH3） are calculated in an energy range from 100 eV to 1500 eV by the revised additivity rule. The present calculations are compared with the original additivity rule results and the available experimental data. Better agreement with each other is obtained.展开更多
In this paper,we study the stability of the orthogonal equation,which is closely related to the results by W.Fechner and J.Sikorska in 2010.There are some differences that we consider the target space with theβ-homog...In this paper,we study the stability of the orthogonal equation,which is closely related to the results by W.Fechner and J.Sikorska in 2010.There are some differences that we consider the target space with theβ-homogeneous norm and quasi-norm.Overcoming theβ-homogeneous norm and quasi-norm bottlenecks,we get some new results.展开更多
This study was to compare the estimates of basal endogenous losses(BEL)of amino acids(AA)determined by 3 methods including feeding a nitrogen-free diet(NFD)or a low-casein diet(LCD,containing casein at 30 g/kg diet)or...This study was to compare the estimates of basal endogenous losses(BEL)of amino acids(AA)determined by 3 methods including feeding a nitrogen-free diet(NFD)or a low-casein diet(LCD,containing casein at 30 g/kg diet)or using the regression method.Another objective was to investigate whether the ileal AA digestibility of corn calculated from a casein-supplemented corn diet is additive for a cornsoybean meal(SBM)mixed diet in broilers.On d 31 of age,168 Ross 308 male broilers were assigned to 8 dietary treatments with 6 replicates in a randomized complete block design.An NFD and 3 diets containing 30,60,or 90 g/kg of casein were formulated to determine the BEL of AA and ileal AA digestibility of casein.The other 4 diets consisted of a corn diet,SBM diet,casein-supplemented corn diet,and corn-SBM mixed diet.On d 35 of age,digesta from the distal section of the ileum were collected.The BEL of AA in birds fed the LCD were greater(P<0.05)than those of the NFD and the regression method.There were no differences in the BEL of AA determined between the NFD and the regression method.Apparent ileal digestibility(AID)and standardized ileal digestibility(SID)of AA for corn calculated from the casein-supplemented corn diet were greater(P<0.05)than those of the corn diet.The predicted AID of Thr in the corn-SBM mixed diet based on the AID of AA for corn in the corn diet was lower(P<0.05)than the measured AID.However,the predicted AID of AA in the mixed diet based on the AID of AA for corn in the casein-supplemented corn diet did not differ from the measured AID.The predicted SID of AA in the mixed diet did not differ from the measured SID irrespective of casein supplementation.In conclusion,feeding an NFD or using the regression method yields similar BEL of AA,but not feeding an LCD.Casein supplementation in the corn diet increases the ileal AA digestibility for corn,which is additive for the corn-SBM mixed diet.展开更多
Regression splines are often used for fitting nonparametric functions,and they work especially well for additivity models.In this paper,we consider two simple tests of additivity:an adaptation of Tukey’s one degree o...Regression splines are often used for fitting nonparametric functions,and they work especially well for additivity models.In this paper,we consider two simple tests of additivity:an adaptation of Tukey’s one degree of freedom test and a nonparametric version of Rao’s score test.While the Tukey-type test can detect most forms of the local non-additivity at the parametric rate of O(n-1/2),the score test is consistent for all alternative at a nonparametric rate.The asymptotic distribution of these test statistics is derived under both the null and local alternative hypotheses.A simulation study is conducted to compare their finite-sample performances with some existing kernel-based tests.The score test is found to have a good overall performance.展开更多
Additive and solvent-free direct printing is critical for many applications,including smart electronics,solar cells,healthcare,and electrochemical energy storage.Although a few green techniques for direct patterning o...Additive and solvent-free direct printing is critical for many applications,including smart electronics,solar cells,healthcare,and electrochemical energy storage.Although a few green techniques for direct patterning of inorganic functional materials have been developed,they operate at small scale and require long processing times,restricting their effective translation from laboratory to market.Here we report a fast,liquid-free,cost-effective,and environmentally friendly aerosol-based printing method for fabricating linear or planar structures at microscale dimensions.In situ and on-demand generation of dry aerosol via pulsed laser ablation,coupled with real-time aerodynamical focusing using a co-flowing sheath gas,allows the deposition of a wide variety of materials on various substrates at room temperature and atmospheric pressure.Using silver as a test material,we systematically characterized the laser-generated aerosol deposits in terms of microstructural morphology,sintering activity,mass yield,density,and electrical performance,to show the relationship between process variability and underlying mechanisms.The capacity of high-throughput printing of silver deposits,with thickness up to 160μm,in a single pass was demonstrated.This rapid,efficient,and inkless printing process opens new and exciting opportunities for future applications that require easy-to-integrate components in printed electronic devices.展开更多
Aiming at the problems of insufficient activity and selectivity of Cu-based catalysts in CO_(2)hydrogenation to methanol,Al_(2)O_(3),ZrO_(2)and CeO_(2)modified Cu-ZnO catalysts by the co-precipitation method were prep...Aiming at the problems of insufficient activity and selectivity of Cu-based catalysts in CO_(2)hydrogenation to methanol,Al_(2)O_(3),ZrO_(2)and CeO_(2)modified Cu-ZnO catalysts by the co-precipitation method were prepared,and the influence mechanism of additives on the structure-performance relationship of the catalysts was systematically explored.Through a variety of characterization methods such as XRD,N2 physical adsorption-desorption,TEM,H_(2)-TPR,CO_(2)-TPD and XPS,combined with catalytic performance evaluation experiments,the correlation between the microstructure of catalysts and the reaction performance of CO_(2)hydrogenation to methanol was analyzed in depth.The results show that metal additives significantly improve the performance of catalysts.After the introduction of additives,the specific surface area and pore volume of the catalysts increase,the grain size of Cu decreases,and its dispersion improves.The Ce-modified CZC catalyst exhibited the best performance,with the grain size of CuO as small as 11.41 nm,and the surface oxygen vacancy concentration(OⅡ/OⅠ=3.15)was significantly higher than that of other samples.The reaction performance test shows that under the conditions of 2.8 MPa,8000 h−1 and 280℃,the CO_(2)conversion of the CZC catalyst reached 18.83%,the methanol selectivity was 68.40%,and the methanol yield was 12.88%,all of which are superior to other catalysts.Its excellent performance can be attributed to the fact that CeO_(2)enhances the metal-support interaction,increases the surface basicity,promotes the adsorption and activation of CO_(2),and simultaneously inhibits the reverse water-gas shift side reaction.This study clarifies the structure-activity regulation mechanism of additive modification on Cu-ZnO catalysts,providing a theoretical basis and technical reference for the development of efficient catalysts for CO_(2)hydrogenation to methanol.展开更多
To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives,this study incorporated two typical additives,coal tar pitch(CTP)and ...To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives,this study incorporated two typical additives,coal tar pitch(CTP)and waste plastic(HDPE),into a blended coal sample and carried out pyrolysis experiments.The pyrolysis process and the microstructure of char were systematically characterized using various analytical techniques,including thermogravimetric analysis(TGA),X-ray diffraction(XRD)and Raman spectroscopy.Data correlation analysis was performed to reveal the mechanism of carbon structural ordering evolution within the critical temperature range(350−600℃)from colloidal layer formation to semi-coke conversion in coking coal,and to elucidate the regulatory effects of different additives on coal pyrolysis pathways.The results indicate that HDPE releases free radicals during high-temperature pyrolysis,accelerating the pyrolysis reaction and increase the yield of volatile components.Conversely,CTP facilitates pyrolysis at low temperatures through its light components,thereby delaying high-temperature reactions due to the colloidal layer’s effect.XRD results indicate that during the process of pyrolysis,there is a progressive decrease in the interlayer spacing of aromatic layers(d002),while the aromatic ring stacking height(L_(c))and lateral size(L_(a))undergo significant of carbon skeleton ordering.Further comparative reveals that CTP partially suppresses structural ordering at low temperatures,whereas HDPE promotes the condensation and alignment of aromatic clusters via a free radical mechanism.Raman spectroscopy reveals a two-stage reorganization mechanism in the microstructure of the coal char:the decrease in the I_(D)/I_(G)ratio between 350 and 550℃is primarily attributed to the cleavage of aliphatic side chains and cross-linking bonds,leading to a reduction in defective structures;whereas the increase in ID/IG between 550 and 600℃is closely associated with enhanced condensation reactions of aromatic structures.Correlation analysis further demonstrates progressive graphitization during pyrolysis,with a significant positive correlation(R^(2)>0.85)observed between d002 and the full width at half maximum of the G-band(FWHM-G).展开更多
A PPh_(3)-catalyzed ring-opening addition reaction of cyclopropenones with alkyl bromides has been successfully established.This reaction offers a concise and practical approach for the assembly ofα,β-disubstituted ...A PPh_(3)-catalyzed ring-opening addition reaction of cyclopropenones with alkyl bromides has been successfully established.This reaction offers a concise and practical approach for the assembly ofα,β-disubstituted acrylates with exclusive E-stereoselectivity at room temperature.Mechanistic investigations indicated that both the hydrogen atom on vinyl group and one oxygen atom on ester group ofα,β-disubstituted acrylates derive from H2O in dimethyl sulfoxide(DMSO).Furthermore,a gram-scale experiment and late-stage modification of the products were accomplished,thereby expanding the application potential of this methodology in organic synthesis.展开更多
Refractory metals,including tungsten(W),tantalum(Ta),molybdenum(Mo),and niobium(Nb),play a vital role in industries,such as nuclear energy and aerospace,owing to their exceptional melting temperatures,thermal durabili...Refractory metals,including tungsten(W),tantalum(Ta),molybdenum(Mo),and niobium(Nb),play a vital role in industries,such as nuclear energy and aerospace,owing to their exceptional melting temperatures,thermal durability,and corrosion resistance.These metals have body-centered cubic crystal structure,characterized by limited slip systems and impeded dislocation motion,resulting in significant low-temperature brittleness,which poses challenges for the conventional processing.Additive manufacturing technique provides an innovative approach,enabling the production of intricate parts without molds,which significantly improves the efficiency of material usage.This review provides a comprehensive overview of the advancements in additive manufacturing techniques for the production of refractory metals,such as W,Ta,Mo,and Nb,particularly the laser powder bed fusion.In this review,the influence mechanisms of key process parameters(laser power,scan strategy,and powder characteristics)on the evolution of material microstructure,the formation of metallurgical defects,and mechanical properties were discussed.Generally,optimizing powder characteristics,such as sphericity,implementing substrate preheating,and formulating alloying strategies can significantly improve the densification and crack resistance of manufactured parts.Meanwhile,strictly controlling the oxygen impurity content and optimizing the energy density input are also the key factors to achieve the simultaneous improvement in strength and ductility of refractory metals.Although additive manufacturing technique provides an innovative solution for processing refractory metals,critical issues,such as residual stress control,microstructure and performance anisotropy,and process stability,still need to be addressed.This review not only provides a theoretical basis for the additive manufacturing of high-performance refractory metals,but also proposes forward-looking directions for their industrial application.展开更多
Soft magnetic alloys are extensively used in various power electronic devices due to their advantageous properties,including high saturation magnetic induction,low coercivity,and high permeability.In certain applicati...Soft magnetic alloys are extensively used in various power electronic devices due to their advantageous properties,including high saturation magnetic induction,low coercivity,and high permeability.In certain applications,complex-shaped components are increasingly required for performance enhancement.Additive manufacturing technique,particularly selective laser melting(SLM),has emerged as an effective method for fabricating such complex-shaped soft magnetic components.SLM,a laserbased additive manufacturing technique,employs high-power-density lasers to melt and fuse metal powders within a powder bed selectively.This approach enables rapid prototyping,precise geometrical control,and the integration of multi-material designs.This review highlights recent advancements in the application of SLM technique for the production of soft magnetic alloys,focusing on Fe-Si,Fe-Ni,Fe-Co,and amorphous alloy systems.Moreover,it explores the implementation of SLM in manufacturing processes and evaluates both the opportunities and challenges associated with SLM-based production of soft magnetic alloys.展开更多
Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing addit...Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties.展开更多
Laser powder bed fusion(LPBF)is highly suitable for forming 18Ni300 mold steel,thanks to its excellent capability in manufacturing complex shapes and outstanding capacity for regulating microstructures.It is widely us...Laser powder bed fusion(LPBF)is highly suitable for forming 18Ni300 mold steel,thanks to its excellent capability in manufacturing complex shapes and outstanding capacity for regulating microstructures.It is widely used in fields such as injection molding,die casting,and stamping dies.Adding reinforcing particles into steel is an effective means to improve its performance.Nb/18Ni300 composites were fabricated by LPBF using two kinds of Nb powders with different particle sizes,and their microstructures and properties were studied.The results show that the unmelted Nb particles are uniformly distributed in the 18Ni300 matrix and the grains are refined,which is particularly pronounced with fine Nb particles.In addition,element diffusion occurs between the particles and the matrix.The main phases of the base alloy are α-Fe and a small amount of γ-Fe.With the addition of Nb,part of the α-Fe is transformed into γ-Fe,and unmelted Nb phases appear.The addition of Nb also enhances the hardness and wear resistance of the composites but slightly reduces their tensile properties.After aging treatment,the molten pools and grain boundaries become blurred,grains are further refined,and the interfaces around the particles are thinned.The aging treatment also promotes the formation of reverted austenite.The hardness,ultimate tensile strength,and volumetric wear rate of the base alloy reach 51.9 HRC,1704 MPa,and 17.8×10^(-6) mm^(3)/(N·m),respectively.In contrast,the sample added with fine Nb particles has the highest hardness(56.1 HRC),ultimate tensile strength(1892 MPa)and yield strength(1842 MPa),and the volume wear rate of the sample added with coarse Nb particles is reduced by 90%to 1.7×10^(-6) mm^(3)/(N·m).展开更多
In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the...In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the critical elementary reaction of molybdenum catalysis.However,the relevant density functional theory(DFT)studies are relatively scarce,especially regarding the rational selection of functionals.In this work,14 functionals were employed to investigate the Mo-catalyzed carbonyl oxidative addition step.A benchmark study was carried out to evaluate their performance in structure optimization and energy calculation.Analyses of mean absolute error(MAE)and mean squared error(MSE)indicated that the B3LYP-D3(BJ),TPSSh,and ωB97X-D functionals exhibited superior performance in structure optimization.Using the DLPNO-CCSD(T)functional as the reference,the M06,M06-L,and MN15-L functionals exhibited good performance for energy calculation based on the structures optimized using the B3LYP-D3(BJ)functional.In particular,MN15-L provided the best performance with the smallest MAE and MSE.展开更多
Observed effects of metal mixtures on animals and plants often differ from the estimates, which are commonly calculated by adding up the biological responses of individual metals. This difference from additivity is co...Observed effects of metal mixtures on animals and plants often differ from the estimates, which are commonly calculated by adding up the biological responses of individual metals. This difference from additivity is commonly referred to as being a consequence of specific interactions between metals. The science of how to quantify metal interactions and whether to include them in risk assessment models is in its infancy. This review summarizes the existing predictive tools for evaluating the combined toxicity of metals present in mixtures and indicates the advantages and disadvantages of each method. We intend to provide eco-toxicologists with background information on how to make good use of the tools and how to advance the methods for assessing toxicity of metal mixtures, It is concluded that statistically significant deviations from additivity are not necessarily biologically relevant. Incorporation of interactions between metals in a model does not on forehand mean that the model is more accurate than a model developed based on additivity only. It is recommended to first use a relatively simple method for effect prediction of uninvestigated metal mixtures. To improve the reliability of toxicity modeling for metal mixtures, further efforts should focus on balancing the relationship between the significance of statistics and the biological meaning, and unraveling the toxicity mechanisms of metals and their mixtures.展开更多
Additive manufacturing(AM)technology has emerged as a viable solution for manufacturing complexshaped WC−Co cemented carbide products,thereby expanding their applications in industries such as resource mining,equipmen...Additive manufacturing(AM)technology has emerged as a viable solution for manufacturing complexshaped WC−Co cemented carbide products,thereby expanding their applications in industries such as resource mining,equipment manufacturing,and electronic information.This review provides a comprehensive summary of the progress of AM technology in WC−Co cemented carbides.The fundamental principles and classification of AM techniques are introduced,followed by a categorization and evaluation of the AM techniques for WC−Co cemented carbides.These techniques are classified as either direct AM technology(DAM)or indirect AM technology(IDAM),depending on their inclusion of post-processes like de-binding and sintering.Through an analysis of microstructure features,the most suitable AM route for WC−Co cemented carbide products with controllable microstructure is identified as the indirect AM technology,such as binder jet printing(BJP),which integrates AM with conventional powder metallurgy.展开更多
基金financially supported by the National High-Tech Research and Development Program of China (No.2008AA05Z308)the National Natural Science Foundation of China (No.20776150)
文摘A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.
基金Project supported by the National Natural Science Foundation of China (Grant No 10574039)the Program for Science and Technology Innovation Talents in Universities of Henan Province in China (Grant No 2008HASTIT008)
文摘Taking into consideration the changes of the geometric shielding effect in a molecule as the energy of incident electrons varies, this paper presents an empirical fraction, which depends on the energy of incident electrons, the target＇s molecular dimension and the atomic and electronic numbers in the molecule. Using this empirical fraction, it proposes a new formulation of the additivity rule. Employing the new additivity rule, it calculates the total cross sections of electron scattering by C2H4, C6H6, C6H14 and C8H18 over the energy range from 50 to 5000eV. In order to exclude the calculation deviations caused by solving the radial Schrodinger equation of electron scattering by atoms, here the atomic cross sections are derived from the experimental total cross section results of simple molecules （H2, O2, CO） via the inversion algorithm. The quantitative total cross sections are compared with those obtained by experiments and other theories, and good agreement is obtained over a wide energy range, even at energy of several tens of eV.
基金the National Natural Science Foundation of China(No.60474069)
文摘Phase space can be constructed for N equal and distinguishable binary subsystems which are correlated in a scale-invariant manner. In the paper, correlation coefficient and reduced probability are introduced to characterize the scale-invariant correlated binary subsystems. Probabilistic sets for the correlated binary subsystems satisfy Leibnitz triangle rule in the sense that the marginal probabilities of N-system are equal to the joint probabilities of the （N - 1）-system. For entropic index q ≠ 1, nonextensive entropy Sq is shown to be additive in the scale-invariant occupation of phase space.
基金supported by National Natural Science Foundation of China(31972597 and 32302793)。
文摘Background Oils are important sources of energy in pig diets.The combination of oils with different degree of saturation contributes to improve the utilization efficiency of the mixed oils and may reduce the cost of oil supplemented.An experiment was conducted to evaluate the effects of oils with different degree of saturation on the fat digestibility and corresponding additivity and bacterial community in growing pigs.Methods Eighteen crossbred(Duroc×Landrace×Yorkshire)barrows(initial body weight:29.3±2.8 kg)were surgically fitted with a T-cannula in the distal ileum.The experimental diets included a fat-free basal diet and 5 oil-added diets.The 5 oil-added diets were formulated by adding 6%oil with different ratio of unsaturated to saturated fatty acids(U:S)to the basal diet.The 5 oils were palm oil(U:S=1.2),canola oil(U:S=12.0),and palm oil and canola oil were mixed in different proportions to prepare a combination of U:S of 2.5,3.5 and 4.5,respectively.Results The apparent and standardized ileal digestibility(AID and SID)of fat and fatty acids increased linearly(P<0.05)as the U:S of dietary oils increased except for SID of fat and C18:2.The AID and SID of fat and fatty acids differed among the dietary treatments(P<0.05)except for SID of unsaturated fatty acids(UFA)and C18:2.Fitted one-slope broken-line analyses for the SID of fat,saturated fatty acids(SFA)and UFA indicated that the breakpoint for U:S of oil was 4.14(R^(2)=0.89,P<0.01),2.91(R^(2)=0.98,P<0.01)and 3.84(R^(2)=0.85,P<0.01),respectively.The determined SID of fat,C18:1,C18:2 and UFA in the mixtures was not different from the calculated SID of fat,C18:1,C18:2 and UFA.However,the determined SID of C16:0,C18:0 and SFA in the mixtures were greater than the calculated SID values(P<0.05).The abundance of Romboutsia and Turicibacter in pigs fed diet containing palm oil was greater than that in rapeseed oil treatment group,and the two bacteria were negatively correlated with SID of C16:0,C18:0 and SFA(P<0.05).Conclusions The optimal U:S for improving the utilization efficiency of mixed oil was 4.14.The SID of fat and UFA for palm oil and canola oil were additive in growing pigs,whereas the SID of SFA in the mixture of two oils was greater than the sum of the values of pure oils.Differences in fat digestibility caused by oils differing in degree of saturation has a significant impact on bacterial community in the foregut.
基金Project supported by the Natural Science Foundation of Shandong Province,China (Grant No. ZR2011AL021)the National Natural Science Foundation of China (Grant No. 11074104)+1 种基金the Research Foundation of Ludong University,China (Grant No. LY20072801)the Discipline Construction Fund of Ludong University,China
文摘The additivity rule for electron-molecule scattering is revised by considering the difference between the free atom and the bound atom in the molecule. The total cross sections for electron scattering from fluoromethanes （CF4, CF3H, CF2H2, and CFH3） are calculated in an energy range from 100 eV to 1500 eV by the revised additivity rule. The present calculations are compared with the original additivity rule results and the available experimental data. Better agreement with each other is obtained.
基金Supported by the National Natural Science Foundation of China(Grant Nos.1197149312071491)the Fundamental Research Funds for the Central Universities(Grant No.2021qntd21)。
文摘In this paper,we study the stability of the orthogonal equation,which is closely related to the results by W.Fechner and J.Sikorska in 2010.There are some differences that we consider the target space with theβ-homogeneous norm and quasi-norm.Overcoming theβ-homogeneous norm and quasi-norm bottlenecks,we get some new results.
文摘This study was to compare the estimates of basal endogenous losses(BEL)of amino acids(AA)determined by 3 methods including feeding a nitrogen-free diet(NFD)or a low-casein diet(LCD,containing casein at 30 g/kg diet)or using the regression method.Another objective was to investigate whether the ileal AA digestibility of corn calculated from a casein-supplemented corn diet is additive for a cornsoybean meal(SBM)mixed diet in broilers.On d 31 of age,168 Ross 308 male broilers were assigned to 8 dietary treatments with 6 replicates in a randomized complete block design.An NFD and 3 diets containing 30,60,or 90 g/kg of casein were formulated to determine the BEL of AA and ileal AA digestibility of casein.The other 4 diets consisted of a corn diet,SBM diet,casein-supplemented corn diet,and corn-SBM mixed diet.On d 35 of age,digesta from the distal section of the ileum were collected.The BEL of AA in birds fed the LCD were greater(P<0.05)than those of the NFD and the regression method.There were no differences in the BEL of AA determined between the NFD and the regression method.Apparent ileal digestibility(AID)and standardized ileal digestibility(SID)of AA for corn calculated from the casein-supplemented corn diet were greater(P<0.05)than those of the corn diet.The predicted AID of Thr in the corn-SBM mixed diet based on the AID of AA for corn in the corn diet was lower(P<0.05)than the measured AID.However,the predicted AID of AA in the mixed diet based on the AID of AA for corn in the casein-supplemented corn diet did not differ from the measured AID.The predicted SID of AA in the mixed diet did not differ from the measured SID irrespective of casein supplementation.In conclusion,feeding an NFD or using the regression method yields similar BEL of AA,but not feeding an LCD.Casein supplementation in the corn diet increases the ileal AA digestibility for corn,which is additive for the corn-SBM mixed diet.
基金This work was partially supported by the National Natural Science Foundation of China(Grant No.10231030)the Excellent Young Teacher Foundation of Education Ministry of China and University of Illinois Campus Research Board and by NSF Award SBR-9617278 and DMS-0102411
文摘Regression splines are often used for fitting nonparametric functions,and they work especially well for additivity models.In this paper,we consider two simple tests of additivity:an adaptation of Tukey’s one degree of freedom test and a nonparametric version of Rao’s score test.While the Tukey-type test can detect most forms of the local non-additivity at the parametric rate of O(n-1/2),the score test is consistent for all alternative at a nonparametric rate.The asymptotic distribution of these test statistics is derived under both the null and local alternative hypotheses.A simulation study is conducted to compare their finite-sample performances with some existing kernel-based tests.The score test is found to have a good overall performance.
基金financial support from the China Scholarship Council(No.202108220036)Advanced Microscopy Laboratory in Trinity College Dublin。
文摘Additive and solvent-free direct printing is critical for many applications,including smart electronics,solar cells,healthcare,and electrochemical energy storage.Although a few green techniques for direct patterning of inorganic functional materials have been developed,they operate at small scale and require long processing times,restricting their effective translation from laboratory to market.Here we report a fast,liquid-free,cost-effective,and environmentally friendly aerosol-based printing method for fabricating linear or planar structures at microscale dimensions.In situ and on-demand generation of dry aerosol via pulsed laser ablation,coupled with real-time aerodynamical focusing using a co-flowing sheath gas,allows the deposition of a wide variety of materials on various substrates at room temperature and atmospheric pressure.Using silver as a test material,we systematically characterized the laser-generated aerosol deposits in terms of microstructural morphology,sintering activity,mass yield,density,and electrical performance,to show the relationship between process variability and underlying mechanisms.The capacity of high-throughput printing of silver deposits,with thickness up to 160μm,in a single pass was demonstrated.This rapid,efficient,and inkless printing process opens new and exciting opportunities for future applications that require easy-to-integrate components in printed electronic devices.
基金Supported by National Key R&D Program of China(2022YFA1503400)。
文摘Aiming at the problems of insufficient activity and selectivity of Cu-based catalysts in CO_(2)hydrogenation to methanol,Al_(2)O_(3),ZrO_(2)and CeO_(2)modified Cu-ZnO catalysts by the co-precipitation method were prepared,and the influence mechanism of additives on the structure-performance relationship of the catalysts was systematically explored.Through a variety of characterization methods such as XRD,N2 physical adsorption-desorption,TEM,H_(2)-TPR,CO_(2)-TPD and XPS,combined with catalytic performance evaluation experiments,the correlation between the microstructure of catalysts and the reaction performance of CO_(2)hydrogenation to methanol was analyzed in depth.The results show that metal additives significantly improve the performance of catalysts.After the introduction of additives,the specific surface area and pore volume of the catalysts increase,the grain size of Cu decreases,and its dispersion improves.The Ce-modified CZC catalyst exhibited the best performance,with the grain size of CuO as small as 11.41 nm,and the surface oxygen vacancy concentration(OⅡ/OⅠ=3.15)was significantly higher than that of other samples.The reaction performance test shows that under the conditions of 2.8 MPa,8000 h−1 and 280℃,the CO_(2)conversion of the CZC catalyst reached 18.83%,the methanol selectivity was 68.40%,and the methanol yield was 12.88%,all of which are superior to other catalysts.Its excellent performance can be attributed to the fact that CeO_(2)enhances the metal-support interaction,increases the surface basicity,promotes the adsorption and activation of CO_(2),and simultaneously inhibits the reverse water-gas shift side reaction.This study clarifies the structure-activity regulation mechanism of additive modification on Cu-ZnO catalysts,providing a theoretical basis and technical reference for the development of efficient catalysts for CO_(2)hydrogenation to methanol.
基金Supported by National Natural Science Foundation of China(22378180,22078141)Education Department Foundation of Liaoning Province(JYTMS20230960)。
文摘To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives,this study incorporated two typical additives,coal tar pitch(CTP)and waste plastic(HDPE),into a blended coal sample and carried out pyrolysis experiments.The pyrolysis process and the microstructure of char were systematically characterized using various analytical techniques,including thermogravimetric analysis(TGA),X-ray diffraction(XRD)and Raman spectroscopy.Data correlation analysis was performed to reveal the mechanism of carbon structural ordering evolution within the critical temperature range(350−600℃)from colloidal layer formation to semi-coke conversion in coking coal,and to elucidate the regulatory effects of different additives on coal pyrolysis pathways.The results indicate that HDPE releases free radicals during high-temperature pyrolysis,accelerating the pyrolysis reaction and increase the yield of volatile components.Conversely,CTP facilitates pyrolysis at low temperatures through its light components,thereby delaying high-temperature reactions due to the colloidal layer’s effect.XRD results indicate that during the process of pyrolysis,there is a progressive decrease in the interlayer spacing of aromatic layers(d002),while the aromatic ring stacking height(L_(c))and lateral size(L_(a))undergo significant of carbon skeleton ordering.Further comparative reveals that CTP partially suppresses structural ordering at low temperatures,whereas HDPE promotes the condensation and alignment of aromatic clusters via a free radical mechanism.Raman spectroscopy reveals a two-stage reorganization mechanism in the microstructure of the coal char:the decrease in the I_(D)/I_(G)ratio between 350 and 550℃is primarily attributed to the cleavage of aliphatic side chains and cross-linking bonds,leading to a reduction in defective structures;whereas the increase in ID/IG between 550 and 600℃is closely associated with enhanced condensation reactions of aromatic structures.Correlation analysis further demonstrates progressive graphitization during pyrolysis,with a significant positive correlation(R^(2)>0.85)observed between d002 and the full width at half maximum of the G-band(FWHM-G).
文摘A PPh_(3)-catalyzed ring-opening addition reaction of cyclopropenones with alkyl bromides has been successfully established.This reaction offers a concise and practical approach for the assembly ofα,β-disubstituted acrylates with exclusive E-stereoselectivity at room temperature.Mechanistic investigations indicated that both the hydrogen atom on vinyl group and one oxygen atom on ester group ofα,β-disubstituted acrylates derive from H2O in dimethyl sulfoxide(DMSO).Furthermore,a gram-scale experiment and late-stage modification of the products were accomplished,thereby expanding the application potential of this methodology in organic synthesis.
基金National MCF Energy R&D Program(2024YFE03260300)。
文摘Refractory metals,including tungsten(W),tantalum(Ta),molybdenum(Mo),and niobium(Nb),play a vital role in industries,such as nuclear energy and aerospace,owing to their exceptional melting temperatures,thermal durability,and corrosion resistance.These metals have body-centered cubic crystal structure,characterized by limited slip systems and impeded dislocation motion,resulting in significant low-temperature brittleness,which poses challenges for the conventional processing.Additive manufacturing technique provides an innovative approach,enabling the production of intricate parts without molds,which significantly improves the efficiency of material usage.This review provides a comprehensive overview of the advancements in additive manufacturing techniques for the production of refractory metals,such as W,Ta,Mo,and Nb,particularly the laser powder bed fusion.In this review,the influence mechanisms of key process parameters(laser power,scan strategy,and powder characteristics)on the evolution of material microstructure,the formation of metallurgical defects,and mechanical properties were discussed.Generally,optimizing powder characteristics,such as sphericity,implementing substrate preheating,and formulating alloying strategies can significantly improve the densification and crack resistance of manufactured parts.Meanwhile,strictly controlling the oxygen impurity content and optimizing the energy density input are also the key factors to achieve the simultaneous improvement in strength and ductility of refractory metals.Although additive manufacturing technique provides an innovative solution for processing refractory metals,critical issues,such as residual stress control,microstructure and performance anisotropy,and process stability,still need to be addressed.This review not only provides a theoretical basis for the additive manufacturing of high-performance refractory metals,but also proposes forward-looking directions for their industrial application.
基金National Natural Science Foundation of China(52171191,52371198)Project of Constructing National Independent Innovation Demonstration Zones(XM2024XTGXQ05)。
文摘Soft magnetic alloys are extensively used in various power electronic devices due to their advantageous properties,including high saturation magnetic induction,low coercivity,and high permeability.In certain applications,complex-shaped components are increasingly required for performance enhancement.Additive manufacturing technique,particularly selective laser melting(SLM),has emerged as an effective method for fabricating such complex-shaped soft magnetic components.SLM,a laserbased additive manufacturing technique,employs high-power-density lasers to melt and fuse metal powders within a powder bed selectively.This approach enables rapid prototyping,precise geometrical control,and the integration of multi-material designs.This review highlights recent advancements in the application of SLM technique for the production of soft magnetic alloys,focusing on Fe-Si,Fe-Ni,Fe-Co,and amorphous alloy systems.Moreover,it explores the implementation of SLM in manufacturing processes and evaluates both the opportunities and challenges associated with SLM-based production of soft magnetic alloys.
基金National Key Research and Development Program of China(2022YFB4600902)Shandong Provincial Science Foundation for Outstanding Young Scholars(ZR2024YQ020)。
文摘Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties.
基金Key-Area Research and Development Program of Guangdong Province(2023B0909020004)Project of Innovation Research Team in Zhongshan(CXTD2023006)+1 种基金Natural Science Foundation of Guangdong Province(2023A1515011573)Zhongshan Social Welfare Science and Technology Research Project(2024B2022)。
文摘Laser powder bed fusion(LPBF)is highly suitable for forming 18Ni300 mold steel,thanks to its excellent capability in manufacturing complex shapes and outstanding capacity for regulating microstructures.It is widely used in fields such as injection molding,die casting,and stamping dies.Adding reinforcing particles into steel is an effective means to improve its performance.Nb/18Ni300 composites were fabricated by LPBF using two kinds of Nb powders with different particle sizes,and their microstructures and properties were studied.The results show that the unmelted Nb particles are uniformly distributed in the 18Ni300 matrix and the grains are refined,which is particularly pronounced with fine Nb particles.In addition,element diffusion occurs between the particles and the matrix.The main phases of the base alloy are α-Fe and a small amount of γ-Fe.With the addition of Nb,part of the α-Fe is transformed into γ-Fe,and unmelted Nb phases appear.The addition of Nb also enhances the hardness and wear resistance of the composites but slightly reduces their tensile properties.After aging treatment,the molten pools and grain boundaries become blurred,grains are further refined,and the interfaces around the particles are thinned.The aging treatment also promotes the formation of reverted austenite.The hardness,ultimate tensile strength,and volumetric wear rate of the base alloy reach 51.9 HRC,1704 MPa,and 17.8×10^(-6) mm^(3)/(N·m),respectively.In contrast,the sample added with fine Nb particles has the highest hardness(56.1 HRC),ultimate tensile strength(1892 MPa)and yield strength(1842 MPa),and the volume wear rate of the sample added with coarse Nb particles is reduced by 90%to 1.7×10^(-6) mm^(3)/(N·m).
基金Project supported by the Fundamental Research Funds for the Central Universities(No.2042025kf0052)。
文摘In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the critical elementary reaction of molybdenum catalysis.However,the relevant density functional theory(DFT)studies are relatively scarce,especially regarding the rational selection of functionals.In this work,14 functionals were employed to investigate the Mo-catalyzed carbonyl oxidative addition step.A benchmark study was carried out to evaluate their performance in structure optimization and energy calculation.Analyses of mean absolute error(MAE)and mean squared error(MSE)indicated that the B3LYP-D3(BJ),TPSSh,and ωB97X-D functionals exhibited superior performance in structure optimization.Using the DLPNO-CCSD(T)functional as the reference,the M06,M06-L,and MN15-L functionals exhibited good performance for energy calculation based on the structures optimized using the B3LYP-D3(BJ)functional.In particular,MN15-L provided the best performance with the smallest MAE and MSE.
文摘Observed effects of metal mixtures on animals and plants often differ from the estimates, which are commonly calculated by adding up the biological responses of individual metals. This difference from additivity is commonly referred to as being a consequence of specific interactions between metals. The science of how to quantify metal interactions and whether to include them in risk assessment models is in its infancy. This review summarizes the existing predictive tools for evaluating the combined toxicity of metals present in mixtures and indicates the advantages and disadvantages of each method. We intend to provide eco-toxicologists with background information on how to make good use of the tools and how to advance the methods for assessing toxicity of metal mixtures, It is concluded that statistically significant deviations from additivity are not necessarily biologically relevant. Incorporation of interactions between metals in a model does not on forehand mean that the model is more accurate than a model developed based on additivity only. It is recommended to first use a relatively simple method for effect prediction of uninvestigated metal mixtures. To improve the reliability of toxicity modeling for metal mixtures, further efforts should focus on balancing the relationship between the significance of statistics and the biological meaning, and unraveling the toxicity mechanisms of metals and their mixtures.
基金supported by Major Science and Technology Projects in Fujian Province,China(No.2023HZ021005)State Key Laboratory of Powder Metallurgy,Central South University,ChinaFujian Key Laboratory of Rare-earth Functional Materials,China。
文摘Additive manufacturing(AM)technology has emerged as a viable solution for manufacturing complexshaped WC−Co cemented carbide products,thereby expanding their applications in industries such as resource mining,equipment manufacturing,and electronic information.This review provides a comprehensive summary of the progress of AM technology in WC−Co cemented carbides.The fundamental principles and classification of AM techniques are introduced,followed by a categorization and evaluation of the AM techniques for WC−Co cemented carbides.These techniques are classified as either direct AM technology(DAM)or indirect AM technology(IDAM),depending on their inclusion of post-processes like de-binding and sintering.Through an analysis of microstructure features,the most suitable AM route for WC−Co cemented carbide products with controllable microstructure is identified as the indirect AM technology,such as binder jet printing(BJP),which integrates AM with conventional powder metallurgy.
