Effects of antibiotic residues on methane production in anaerobic digestion are commonly studied using the following two antibiotic addition methods：（1） adding manure from animals that consume a diet containing ant...Effects of antibiotic residues on methane production in anaerobic digestion are commonly studied using the following two antibiotic addition methods：（1） adding manure from animals that consume a diet containing antibiotics, and（2） adding antibiotic-free animal manure spiked with antibiotics. This study used chlortetracycline（CTC） as a model antibiotic to examine the effects of the antibiotic addition method on methane production in anaerobic digestion under two different swine wastewater concentrations（0.55 and 0.22 mg CTC/g dry manure）. The results showed that CTC degradation rate in which manure was directly added at 0.55 mg CTC/g（HSPIKE treatment） was lower than the control values and the rest of the treatment groups. Methane production from the HSPIKEtreatment was reduced（p 〈 0.05） by 12% during the whole experimental period and 15% during the first 7 days. The treatments had no significant effect on the pH and chemical oxygen demand value of the digesters, and the total nitrogen of the0.55 mg CTC/kg manure collected from mediated swine was significantly higher than the other values. Therefore, different methane production under different antibiotic addition methods might be explained by the microbial activity and the concentrations of antibiotic intermediate products and metabolites. Because the primary entry route of veterinary antibiotics into an anaerobic digester is by contaminated animal manure, the most appropriate method for studying antibiotic residue effects on methane production may be using manure from animals that are given a particular antibiotic, rather than adding the antibiotic directly to the anaerobic digester.展开更多
dual-standard addition method was proposed and the principle of simultaneous determination for a interfering binary mixtures was discussed. The proposed procedure was applied to spectroscopic analyses for the simultan...dual-standard addition method was proposed and the principle of simultaneous determination for a interfering binary mixtures was discussed. The proposed procedure was applied to spectroscopic analyses for the simultaneous determination of uranium and thorium without prior separation. Various molar ratios of uranium/thorium, from 0.5∶1 to 10∶1, can be determined with satisfactory precision and accuracy. Uranium and thorium content in a phosphate ore and simulated sample were determined, the recoveries were 98.4%～102.5% for uranium and 96.8%～102.3% for thorium, the relative standard deviations (R.S.D) were 1.5%～2.3% for uranium and 2.1%～3.1% for thorium.展开更多
An O / W emulsion non-solvent addition method was used to prepare ethyleellulose (EC) microcapsules of water soluble pharmaceutical (theophylline). The solvent and non-solvent reagents used in this work were toluene a...An O / W emulsion non-solvent addition method was used to prepare ethyleellulose (EC) microcapsules of water soluble pharmaceutical (theophylline). The solvent and non-solvent reagents used in this work were toluene and cyclohexane. The effects of polymer concentration, core wall ratio and particle size on the kinetics as well as the dissolution rate of the drug were investigated. The results show that the dissolution rate increases with the increasing of polymer concentration and core wall ratio. The release of microcapsules prepared with different procedures can be selectively profiled with first order and Higuchi matrix kinetic models.展开更多
The influence of solvent and the rate of addition of water on the characteristics of alumina-zirconia powders obtained by sol-gel method were investigated. The Al2O3-ZrO2 powders (1:1 molar ratio) were prepared using ...The influence of solvent and the rate of addition of water on the characteristics of alumina-zirconia powders obtained by sol-gel method were investigated. The Al2O3-ZrO2 powders (1:1 molar ratio) were prepared using aluminum tri-sec-butoxide and zirconium n-propoxide as precursors. Ethanol (EtOH), isopropanol (iPrOH) and isobutanol (iBuOH) were used as solvents. The Al2O3-ZrO2 powders were characterized by nitrogen physisorption (SBET), Fourier transformed infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), differential thermal analysis (DTA), X-ray diffraction (XRD) and scanning electron microscopy (SEM). Prepared oxides calcined at 700℃ showed high specific surface area (200 - 240 m2/g). Obtained results suggest that the homogeneity of the mixed oxides is favored by using a water addition rate of 0.06 and 0.10 mL/min with ethanol as solvent.展开更多
In recent years,the perceivable difference in observed and computed deflections for arch dams suggests the necessity to consider the side-load action of the hydrostatic pressure on reservoir basin(HPRB).In this paper,...In recent years,the perceivable difference in observed and computed deflections for arch dams suggests the necessity to consider the side-load action of the hydrostatic pressure on reservoir basin(HPRB).In this paper,two additional Vogt coefficients with regard to the normal and angular deflections of arch dam foundation due to the action of HPRB are firstly elaborated,then an algorithm of the improved trial load method(ITLM)taking into account of conventional(six)and additional(two)Vogt coefficients is implemented.The elastic finite element method is employed as the bench mark in the verification of the improved method,which confirms that a better prediction of dam deflections and their gradient related stresses for arch dams may be provided by the ITLM taking into account of HPRB action.展开更多
Dibenzoyl peroxide undergoes oxidative addition on metallic copper with triphenylphosphine in a mixed solvent(acetone,dichloromethane and trichloromethane),and affords the binuclear copper complex (Cu(C_6H_5COO)_2(OPP...Dibenzoyl peroxide undergoes oxidative addition on metallic copper with triphenylphosphine in a mixed solvent(acetone,dichloromethane and trichloromethane),and affords the binuclear copper complex (Cu(C_6H_5COO)_2(OPPh_3))_2.Crystals are monoclinic,space group A_2/a,with cell parameters,a=24.337(3),b=10.566(1),c=21.579(2),β= 93.18(1)°, V=5540(1)~3,Z=4,R=0.042,and Rw=0.044 for 5872 observed reflections. Each copper ion is coordinated by four bridging benzoato ligands and one triphenylphosphine oxide group to form binuclear complexes.展开更多
The process and mechanism of the ligand volume controlled Pd（PR3）2 （PR3=PH3, PMe3, and PtBu3） oxidative addition with aryl bromide were investigated, using density functional theory method with the conductor-like ...The process and mechanism of the ligand volume controlled Pd（PR3）2 （PR3=PH3, PMe3, and PtBu3） oxidative addition with aryl bromide were investigated, using density functional theory method with the conductor-like screening model. Association pathway and dissocia-tion pathway were investigated by the comparison of several energies. The cleavage energy of Pd（PR3）2 complex was calculated, as well as the oxidative addition reaction barrier energy of Pd（PR3）n （n=1,2） with aryl bromide in N,N-dimethylformamide solvent. This study proved that the ligands volume possessed a great impact on the mechanism of oxidative addition： less bulky ligand palladium associated with aryl bromide via two donor ligands,but larger bulky ligand palladium coordinated via monoligand.展开更多
Accurate prediction of shield tunneling-induced settlement is a complex problem that requires consideration of many influential parameters.Recent studies reveal that machine learning(ML)algorithms can predict the sett...Accurate prediction of shield tunneling-induced settlement is a complex problem that requires consideration of many influential parameters.Recent studies reveal that machine learning(ML)algorithms can predict the settlement caused by tunneling.However,well-performing ML models are usually less interpretable.Irrelevant input features decrease the performance and interpretability of an ML model.Nonetheless,feature selection,a critical step in the ML pipeline,is usually ignored in most studies that focused on predicting tunneling-induced settlement.This study applies four techniques,i.e.Pearson correlation method,sequential forward selection(SFS),sequential backward selection(SBS)and Boruta algorithm,to investigate the effect of feature selection on the model’s performance when predicting the tunneling-induced maximum surface settlement(S_(max)).The data set used in this study was compiled from two metro tunnel projects excavated in Hangzhou,China using earth pressure balance(EPB)shields and consists of 14 input features and a single output(i.e.S_(max)).The ML model that is trained on features selected from the Boruta algorithm demonstrates the best performance in both the training and testing phases.The relevant features chosen from the Boruta algorithm further indicate that tunneling-induced settlement is affected by parameters related to tunnel geometry,geological conditions and shield operation.The recently proposed Shapley additive explanations(SHAP)method explores how the input features contribute to the output of a complex ML model.It is observed that the larger settlements are induced during shield tunneling in silty clay.Moreover,the SHAP analysis reveals that the low magnitudes of face pressure at the top of the shield increase the model’s output。展开更多
To solve the complex weight matrix derivative problem when using the weighted least squares method to estimate the parameters of the mixed additive and multiplicative random error model(MAM error model),we use an impr...To solve the complex weight matrix derivative problem when using the weighted least squares method to estimate the parameters of the mixed additive and multiplicative random error model(MAM error model),we use an improved artificial bee colony algorithm without derivative and the bootstrap method to estimate the parameters and evaluate the accuracy of MAM error model.The improved artificial bee colony algorithm can update individuals in multiple dimensions and improve the cooperation ability between individuals by constructing a new search equation based on the idea of quasi-affine transformation.The experimental results show that based on the weighted least squares criterion,the algorithm can get the results consistent with the weighted least squares method without multiple formula derivation.The parameter estimation and accuracy evaluation method based on the bootstrap method can get better parameter estimation and more reasonable accuracy information than existing methods,which provides a new idea for the theory of parameter estimation and accuracy evaluation of the MAM error model.展开更多
Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperatur...Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperature gradient method. Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus. The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated. It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets. The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra. The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form, and the aggregated nitrogen concentration in diamond increases with temperature and duration. In addition, it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature. Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy. Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress, whereas diamond crystals heavily doped with the addition of Ba（N3）2 display the tensile stress.展开更多
Valuable chiral N-Boc-β-benzyl-β-amino acid was concisely synthesized via construction of chiral NBoc-3-benzyl-5-oxoisoxazolidine through cross-metathesis/conjugate addition/oxidation.All of the starting materials f...Valuable chiral N-Boc-β-benzyl-β-amino acid was concisely synthesized via construction of chiral NBoc-3-benzyl-5-oxoisoxazolidine through cross-metathesis/conjugate addition/oxidation.All of the starting materials for the synthesis of chiral N-Boc-β-benzyl-β-amino acid are cheap,and two-step short procedure make it easy for the rapid construction of various chiral β-arylmethyl-β-amino acids and important drugs,such as sitagliptin phosphate.展开更多
To improve the power-extraction performance of the Savonius vertical-axis wind turbine(S-VAWT),additional cylinders,which are used to control the fluid flow around the wind turbine blade,were introduced into the blade...To improve the power-extraction performance of the Savonius vertical-axis wind turbine(S-VAWT),additional cylinders,which are used to control the fluid flow around the wind turbine blade,were introduced into the blade design.In contrast to the traditional numerical method,a mathematical model in the form of a dynamical system was used in this study.A numerical calculation program that could effectively solve the equations of wind-induced rotation of S-VAWT was developed,and combined with the Taguchi experimental method to investigate the influence of additional cylinders on the power-extraction characteristics of the S-VAWT.The results showed that the additional cylinders have a significant impact on the power-extraction performance of the S-VAWT.At 4-m/s wind speed,the average power coefficient of the S-VAWT with additional cylinders is 15%higher than that of the conventional S-VAWT.After construction of the wind turbine prototype and power-extraction tests,the results showed that compared with a conventional S-VAWT,the output power was 29%higher for the S-VAWT with additional cylinders under the same particular conditions.展开更多
According to the chemical and mineral composition characteristics of the fly ash,alumina can be extracted from fly ash through the calcining method by using sodium carbonate and calcium carbonate additives.The effects...According to the chemical and mineral composition characteristics of the fly ash,alumina can be extracted from fly ash through the calcining method by using sodium carbonate and calcium carbonate additives.The effects on leaching rate of alumina have been investigated. The results showed that the fly ash can be activated effectively and the leaching rate of alumina can be improved to more than 92% through this method. The best process parameters were the ratio of raw materials,i. e. the material weight ratio of fly ash,calcium carbonate and sodium carbonate was 1. 0∶1. 2∶0. 9. The activating temperature was 850℃-900℃,activating time was 3 h. This process has a potential application prospect and improves the value of comprehensive utilization of fly ash.展开更多
This paper takes the evaluation of overall economic benefit by an example and proposes a simple additive weighting method for time-series multiindices decision making. The method can automatically determine the weight...This paper takes the evaluation of overall economic benefit by an example and proposes a simple additive weighting method for time-series multiindices decision making. The method can automatically determine the weight coefficients among the multiindices and the years respectively and it also can obtain the objective evaluation results and conclusions.展开更多
Additive Runge-Kutta methods designed for preserving highly accurate solutions in mixed-precision computation were previously proposed and analyzed.These specially designed methods use reduced precision for the implic...Additive Runge-Kutta methods designed for preserving highly accurate solutions in mixed-precision computation were previously proposed and analyzed.These specially designed methods use reduced precision for the implicit computations and full precision for the explicit computations.In this work,we analyze the stability properties of these methods and their sensitivity to the low-precision rounding errors,and demonstrate their performance in terms of accuracy and efficiency.We develop codes in FORTRAN and Julia to solve nonlinear systems of ODEs and PDEs using the mixed-precision additive Runge-Kutta(MP-ARK)methods.The convergence,accuracy,and runtime of these methods are explored.We show that for a given level of accuracy,suitably chosen MP-ARK methods may provide significant reductions in runtime.展开更多
The simple additive weighting(SAW)method is one of the oldest and most widely used decision-making methods.It has a simple process that can be utilized in different subject areas such as engineering,environmental scie...The simple additive weighting(SAW)method is one of the oldest and most widely used decision-making methods.It has a simple process that can be utilized in different subject areas such as engineering,environmental sciences,and energy.The main concepts of the SAW method are introduced in this paper and then a step-by-step guide to using SAW technique for decision-making and ranking purposes in multi-attribute cases is presented.展开更多
Additive Manufacturing(AM)has significantly impacted the development of high-performance materials and structures,offering new possibilities for industries ranging from aerospace to biomedicine.This special issue feat...Additive Manufacturing(AM)has significantly impacted the development of high-performance materials and structures,offering new possibilities for industries ranging from aerospace to biomedicine.This special issue features pioneering research that integrates AI-driven methods with AM,enabling the design and fabrication of complex,optimized structures with enhanced properties.展开更多
Additive manufacturing(AM)has emerged as one of the most utilized processes in manufacturing due to its ability to produce complex geometries with minimal material waste and greater design freedom.Laser-based AM(LAM)t...Additive manufacturing(AM)has emerged as one of the most utilized processes in manufacturing due to its ability to produce complex geometries with minimal material waste and greater design freedom.Laser-based AM(LAM)technologies use high-power lasers to melt metallic materials,which then solidify to form parts.However,it inherently induces self-equilibrating residual stress during fabrication due to thermal loads and plastic deformation.These residual stresses can cause defects such as delamination,cracking,and distortion,as well as premature failure under service conditions,necessitating mitigation.While post-treatment methods can reduce residual stresses,they are often costly and time-consuming.Therefore,tuning the fabrication process parameters presents a more feasible approach.Accordingly,in addition to providing a comprehensive view of residual stress by their classification,formation mechanisms,measurement methods,and common post-treatment,this paper reviews and compares the studies conducted on the effect of key parameters of the LAM process on the resulting residual stresses.This review focuses on proactively adjusting LAM process parameters as a strategic approach to mitigate residual stress formation.It provides a result of the various parameters influencing residual stress outcomes,such as laser power,scanning speed,beam diameter,hatch spacing,and scanning strategies.Finally,the paper identifies existing research gaps and proposes future studies needed to deepen understanding of the relationship between process parameters and residual stress mitigation in LAM.展开更多
Powder bed fusion(PBF)in metallic additive manufacturing offers the ability to produce intricate geometries,high-strength components,and reliable products.However,powder processing before energy-based binding signific...Powder bed fusion(PBF)in metallic additive manufacturing offers the ability to produce intricate geometries,high-strength components,and reliable products.However,powder processing before energy-based binding significantly impacts the final product’s integrity.Processing maps guide efficient process design to minimize defects,but creating them through experimentation alone is challenging due to the wide range of parameters,necessitating a comprehensive computational parametric analysis.In this study,we used the discrete element method to parametrically analyze the powder processing design space in PBF of stainless steel 316L powders.Uniform lattice parameter sweeps are often used for parametric analysis,but are computationally intensive.We find that non-uniform parameter sweep based on the low discrepancy sequence(LDS)algorithm is ten times more efficient at exploring the design space while accurately capturing the relationship between powder flow dynamics and bed packing density.We introduce a multi-layer perceptron(MLP)model to interpolate parametric causalities within the LDS parameter space.With over 99%accuracy,it effectively captures these causalities while requiring fewer simulations.Finally,we generate processing design maps for machine setups and powder selections for efficient process design.We find that recoating speed has the highest impact on powder processing quality,followed by recoating layer thickness,particle size,and inter-particle friction.展开更多
Accurate reservoir permeability determination is crucial in hydrocarbon exploration and production.Conventional methods relying on empirical correlations and assumptions often result in high costs,time consumption,ina...Accurate reservoir permeability determination is crucial in hydrocarbon exploration and production.Conventional methods relying on empirical correlations and assumptions often result in high costs,time consumption,inaccuracies,and uncertainties.This study introduces a novel hybrid machine learning approach to predict the permeability of the Wangkwar formation in the Gunya oilfield,Northwestern Uganda.The group method of data handling with differential evolution(GMDH-DE)algorithm was used to predict permeability due to its capability to manage complex,nonlinear relationships between variables,reduced computation time,and parameter optimization through evolutionary algorithms.Using 1953 samples from Gunya-1 and Gunya-2 wells for training and 1563 samples from Gunya-3 for testing,the GMDH-DE outperformed the group method of data handling(GMDH)and random forest(RF)in predicting permeability with higher accuracy and lower computation time.The GMDH-DE achieved an R^(2)of 0.9985,RMSE of 3.157,MAE of 2.366,and ME of 0.001 during training,and for testing,the ME,MAE,RMSE,and R^(2)were 1.3508,12.503,21.3898,and 0.9534,respectively.Additionally,the GMDH-DE demonstrated a 41%reduction in processing time compared to GMDH and RF.The model was also used to predict the permeability of the Mita Gamma well in the Mandawa basin,Tanzania,which lacks core data.Shapley additive explanations(SHAP)analysis identified thermal neutron porosity(TNPH),effective porosity(PHIE),and spectral gamma-ray(SGR)as the most critical parameters in permeability prediction.Therefore,the GMDH-DE model offers a novel,efficient,and accurate approach for fast permeability prediction,enhancing hydrocarbon exploration and production.展开更多
基金supported by the National Natural Science Foundation of China (Nos. 30700586, 31072067, 31272481)the National Spark Program Project (No. 2012GA780001)the China Scholarship Council (NO. 201308440210)
文摘Effects of antibiotic residues on methane production in anaerobic digestion are commonly studied using the following two antibiotic addition methods：（1） adding manure from animals that consume a diet containing antibiotics, and（2） adding antibiotic-free animal manure spiked with antibiotics. This study used chlortetracycline（CTC） as a model antibiotic to examine the effects of the antibiotic addition method on methane production in anaerobic digestion under two different swine wastewater concentrations（0.55 and 0.22 mg CTC/g dry manure）. The results showed that CTC degradation rate in which manure was directly added at 0.55 mg CTC/g（HSPIKE treatment） was lower than the control values and the rest of the treatment groups. Methane production from the HSPIKEtreatment was reduced（p 〈 0.05） by 12% during the whole experimental period and 15% during the first 7 days. The treatments had no significant effect on the pH and chemical oxygen demand value of the digesters, and the total nitrogen of the0.55 mg CTC/kg manure collected from mediated swine was significantly higher than the other values. Therefore, different methane production under different antibiotic addition methods might be explained by the microbial activity and the concentrations of antibiotic intermediate products and metabolites. Because the primary entry route of veterinary antibiotics into an anaerobic digester is by contaminated animal manure, the most appropriate method for studying antibiotic residue effects on methane production may be using manure from animals that are given a particular antibiotic, rather than adding the antibiotic directly to the anaerobic digester.
文摘dual-standard addition method was proposed and the principle of simultaneous determination for a interfering binary mixtures was discussed. The proposed procedure was applied to spectroscopic analyses for the simultaneous determination of uranium and thorium without prior separation. Various molar ratios of uranium/thorium, from 0.5∶1 to 10∶1, can be determined with satisfactory precision and accuracy. Uranium and thorium content in a phosphate ore and simulated sample were determined, the recoveries were 98.4%～102.5% for uranium and 96.8%～102.3% for thorium, the relative standard deviations (R.S.D) were 1.5%～2.3% for uranium and 2.1%～3.1% for thorium.
文摘An O / W emulsion non-solvent addition method was used to prepare ethyleellulose (EC) microcapsules of water soluble pharmaceutical (theophylline). The solvent and non-solvent reagents used in this work were toluene and cyclohexane. The effects of polymer concentration, core wall ratio and particle size on the kinetics as well as the dissolution rate of the drug were investigated. The results show that the dissolution rate increases with the increasing of polymer concentration and core wall ratio. The release of microcapsules prepared with different procedures can be selectively profiled with first order and Higuchi matrix kinetic models.
文摘The influence of solvent and the rate of addition of water on the characteristics of alumina-zirconia powders obtained by sol-gel method were investigated. The Al2O3-ZrO2 powders (1:1 molar ratio) were prepared using aluminum tri-sec-butoxide and zirconium n-propoxide as precursors. Ethanol (EtOH), isopropanol (iPrOH) and isobutanol (iBuOH) were used as solvents. The Al2O3-ZrO2 powders were characterized by nitrogen physisorption (SBET), Fourier transformed infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), differential thermal analysis (DTA), X-ray diffraction (XRD) and scanning electron microscopy (SEM). Prepared oxides calcined at 700℃ showed high specific surface area (200 - 240 m2/g). Obtained results suggest that the homogeneity of the mixed oxides is favored by using a water addition rate of 0.06 and 0.10 mL/min with ethanol as solvent.
基金Supported by the Key Program of the National Natural Science Foundation of China(51939008)。
文摘In recent years,the perceivable difference in observed and computed deflections for arch dams suggests the necessity to consider the side-load action of the hydrostatic pressure on reservoir basin(HPRB).In this paper,two additional Vogt coefficients with regard to the normal and angular deflections of arch dam foundation due to the action of HPRB are firstly elaborated,then an algorithm of the improved trial load method(ITLM)taking into account of conventional(six)and additional(two)Vogt coefficients is implemented.The elastic finite element method is employed as the bench mark in the verification of the improved method,which confirms that a better prediction of dam deflections and their gradient related stresses for arch dams may be provided by the ITLM taking into account of HPRB action.
文摘Dibenzoyl peroxide undergoes oxidative addition on metallic copper with triphenylphosphine in a mixed solvent(acetone,dichloromethane and trichloromethane),and affords the binuclear copper complex (Cu(C_6H_5COO)_2(OPPh_3))_2.Crystals are monoclinic,space group A_2/a,with cell parameters,a=24.337(3),b=10.566(1),c=21.579(2),β= 93.18(1)°, V=5540(1)~3,Z=4,R=0.042,and Rw=0.044 for 5872 observed reflections. Each copper ion is coordinated by four bridging benzoato ligands and one triphenylphosphine oxide group to form binuclear complexes.
基金This work was supported by the National Natural Science Foundation of China （No.20776089） and the New Century Excellent Talents Program of Ministry of Education （No.NCET-05-0783）. The State Key Laboratory of Polymer Materials Engineering in Sichuan University was acknowledged for providing dmol3 modules and Prof. Ying Xue, Xiang-yuan Li, and Quan Zhu were grateful for the useful discussions.
文摘The process and mechanism of the ligand volume controlled Pd（PR3）2 （PR3=PH3, PMe3, and PtBu3） oxidative addition with aryl bromide were investigated, using density functional theory method with the conductor-like screening model. Association pathway and dissocia-tion pathway were investigated by the comparison of several energies. The cleavage energy of Pd（PR3）2 complex was calculated, as well as the oxidative addition reaction barrier energy of Pd（PR3）n （n=1,2） with aryl bromide in N,N-dimethylformamide solvent. This study proved that the ligands volume possessed a great impact on the mechanism of oxidative addition： less bulky ligand palladium associated with aryl bromide via two donor ligands,but larger bulky ligand palladium coordinated via monoligand.
基金support provided by The Science and Technology Development Fund,Macao SAR,China(File Nos.0057/2020/AGJ and SKL-IOTSC-2021-2023)Science and Technology Program of Guangdong Province,China(Grant No.2021A0505080009).
文摘Accurate prediction of shield tunneling-induced settlement is a complex problem that requires consideration of many influential parameters.Recent studies reveal that machine learning(ML)algorithms can predict the settlement caused by tunneling.However,well-performing ML models are usually less interpretable.Irrelevant input features decrease the performance and interpretability of an ML model.Nonetheless,feature selection,a critical step in the ML pipeline,is usually ignored in most studies that focused on predicting tunneling-induced settlement.This study applies four techniques,i.e.Pearson correlation method,sequential forward selection(SFS),sequential backward selection(SBS)and Boruta algorithm,to investigate the effect of feature selection on the model’s performance when predicting the tunneling-induced maximum surface settlement(S_(max)).The data set used in this study was compiled from two metro tunnel projects excavated in Hangzhou,China using earth pressure balance(EPB)shields and consists of 14 input features and a single output(i.e.S_(max)).The ML model that is trained on features selected from the Boruta algorithm demonstrates the best performance in both the training and testing phases.The relevant features chosen from the Boruta algorithm further indicate that tunneling-induced settlement is affected by parameters related to tunnel geometry,geological conditions and shield operation.The recently proposed Shapley additive explanations(SHAP)method explores how the input features contribute to the output of a complex ML model.It is observed that the larger settlements are induced during shield tunneling in silty clay.Moreover,the SHAP analysis reveals that the low magnitudes of face pressure at the top of the shield increase the model’s output。
基金supported by the National Natural Science Foundation of China(No.42174011 and No.41874001).
文摘To solve the complex weight matrix derivative problem when using the weighted least squares method to estimate the parameters of the mixed additive and multiplicative random error model(MAM error model),we use an improved artificial bee colony algorithm without derivative and the bootstrap method to estimate the parameters and evaluate the accuracy of MAM error model.The improved artificial bee colony algorithm can update individuals in multiple dimensions and improve the cooperation ability between individuals by constructing a new search equation based on the idea of quasi-affine transformation.The experimental results show that based on the weighted least squares criterion,the algorithm can get the results consistent with the weighted least squares method without multiple formula derivation.The parameter estimation and accuracy evaluation method based on the bootstrap method can get better parameter estimation and more reasonable accuracy information than existing methods,which provides a new idea for the theory of parameter estimation and accuracy evaluation of the MAM error model.
基金Project supported by the National Natural Science Foundation of China (Grant No.50572032)
文摘Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperature gradient method. Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus. The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated. It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets. The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra. The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form, and the aggregated nitrogen concentration in diamond increases with temperature and duration. In addition, it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature. Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy. Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress, whereas diamond crystals heavily doped with the addition of Ba（N3）2 display the tensile stress.
基金financial support for this study from the National Natural Science Foundation of China (No. 21472110)
文摘Valuable chiral N-Boc-β-benzyl-β-amino acid was concisely synthesized via construction of chiral NBoc-3-benzyl-5-oxoisoxazolidine through cross-metathesis/conjugate addition/oxidation.All of the starting materials for the synthesis of chiral N-Boc-β-benzyl-β-amino acid are cheap,and two-step short procedure make it easy for the rapid construction of various chiral β-arylmethyl-β-amino acids and important drugs,such as sitagliptin phosphate.
基金This work is supported by the National Natural Science Foundation of China(No.51975429).
文摘To improve the power-extraction performance of the Savonius vertical-axis wind turbine(S-VAWT),additional cylinders,which are used to control the fluid flow around the wind turbine blade,were introduced into the blade design.In contrast to the traditional numerical method,a mathematical model in the form of a dynamical system was used in this study.A numerical calculation program that could effectively solve the equations of wind-induced rotation of S-VAWT was developed,and combined with the Taguchi experimental method to investigate the influence of additional cylinders on the power-extraction characteristics of the S-VAWT.The results showed that the additional cylinders have a significant impact on the power-extraction performance of the S-VAWT.At 4-m/s wind speed,the average power coefficient of the S-VAWT with additional cylinders is 15%higher than that of the conventional S-VAWT.After construction of the wind turbine prototype and power-extraction tests,the results showed that compared with a conventional S-VAWT,the output power was 29%higher for the S-VAWT with additional cylinders under the same particular conditions.
文摘According to the chemical and mineral composition characteristics of the fly ash,alumina can be extracted from fly ash through the calcining method by using sodium carbonate and calcium carbonate additives.The effects on leaching rate of alumina have been investigated. The results showed that the fly ash can be activated effectively and the leaching rate of alumina can be improved to more than 92% through this method. The best process parameters were the ratio of raw materials,i. e. the material weight ratio of fly ash,calcium carbonate and sodium carbonate was 1. 0∶1. 2∶0. 9. The activating temperature was 850℃-900℃,activating time was 3 h. This process has a potential application prospect and improves the value of comprehensive utilization of fly ash.
文摘This paper takes the evaluation of overall economic benefit by an example and proposes a simple additive weighting method for time-series multiindices decision making. The method can automatically determine the weight coefficients among the multiindices and the years respectively and it also can obtain the objective evaluation results and conclusions.
基金supported by ONR UMass Dartmouth Marine and UnderSea Technology(MUST)grant N00014-20-1-2849 under the project S31320000049160by DOE grant DE-SC0023164 sub-award RC114586-UMD+2 种基金by AFOSR grants FA9550-18-1-0383 and FA9550-23-1-0037supported by Michigan State University,by AFOSR grants FA9550-19-1-0281 and FA9550-18-1-0383by DOE grant DE-SC0023164.
文摘Additive Runge-Kutta methods designed for preserving highly accurate solutions in mixed-precision computation were previously proposed and analyzed.These specially designed methods use reduced precision for the implicit computations and full precision for the explicit computations.In this work,we analyze the stability properties of these methods and their sensitivity to the low-precision rounding errors,and demonstrate their performance in terms of accuracy and efficiency.We develop codes in FORTRAN and Julia to solve nonlinear systems of ODEs and PDEs using the mixed-precision additive Runge-Kutta(MP-ARK)methods.The convergence,accuracy,and runtime of these methods are explored.We show that for a given level of accuracy,suitably chosen MP-ARK methods may provide significant reductions in runtime.
文摘The simple additive weighting(SAW)method is one of the oldest and most widely used decision-making methods.It has a simple process that can be utilized in different subject areas such as engineering,environmental sciences,and energy.The main concepts of the SAW method are introduced in this paper and then a step-by-step guide to using SAW technique for decision-making and ranking purposes in multi-attribute cases is presented.
文摘Additive Manufacturing(AM)has significantly impacted the development of high-performance materials and structures,offering new possibilities for industries ranging from aerospace to biomedicine.This special issue features pioneering research that integrates AI-driven methods with AM,enabling the design and fabrication of complex,optimized structures with enhanced properties.
文摘Additive manufacturing(AM)has emerged as one of the most utilized processes in manufacturing due to its ability to produce complex geometries with minimal material waste and greater design freedom.Laser-based AM(LAM)technologies use high-power lasers to melt metallic materials,which then solidify to form parts.However,it inherently induces self-equilibrating residual stress during fabrication due to thermal loads and plastic deformation.These residual stresses can cause defects such as delamination,cracking,and distortion,as well as premature failure under service conditions,necessitating mitigation.While post-treatment methods can reduce residual stresses,they are often costly and time-consuming.Therefore,tuning the fabrication process parameters presents a more feasible approach.Accordingly,in addition to providing a comprehensive view of residual stress by their classification,formation mechanisms,measurement methods,and common post-treatment,this paper reviews and compares the studies conducted on the effect of key parameters of the LAM process on the resulting residual stresses.This review focuses on proactively adjusting LAM process parameters as a strategic approach to mitigate residual stress formation.It provides a result of the various parameters influencing residual stress outcomes,such as laser power,scanning speed,beam diameter,hatch spacing,and scanning strategies.Finally,the paper identifies existing research gaps and proposes future studies needed to deepen understanding of the relationship between process parameters and residual stress mitigation in LAM.
基金supported by the funding provided by Boeing Center for Aviation and Aerospace Safety.
文摘Powder bed fusion(PBF)in metallic additive manufacturing offers the ability to produce intricate geometries,high-strength components,and reliable products.However,powder processing before energy-based binding significantly impacts the final product’s integrity.Processing maps guide efficient process design to minimize defects,but creating them through experimentation alone is challenging due to the wide range of parameters,necessitating a comprehensive computational parametric analysis.In this study,we used the discrete element method to parametrically analyze the powder processing design space in PBF of stainless steel 316L powders.Uniform lattice parameter sweeps are often used for parametric analysis,but are computationally intensive.We find that non-uniform parameter sweep based on the low discrepancy sequence(LDS)algorithm is ten times more efficient at exploring the design space while accurately capturing the relationship between powder flow dynamics and bed packing density.We introduce a multi-layer perceptron(MLP)model to interpolate parametric causalities within the LDS parameter space.With over 99%accuracy,it effectively captures these causalities while requiring fewer simulations.Finally,we generate processing design maps for machine setups and powder selections for efficient process design.We find that recoating speed has the highest impact on powder processing quality,followed by recoating layer thickness,particle size,and inter-particle friction.
基金supported by the Major National Science and Technology Programs in the“Thirteenth Five-Year”Plan period(Grant No.2017ZX05032-002-004)the Innovation Team Funding of Natural Science Foundation of Hubei Province,China(Grant No.2021CFA031)the Chinese Scholarship Council(CSC)and Silk Road Institute for their support in terms of stipend.
文摘Accurate reservoir permeability determination is crucial in hydrocarbon exploration and production.Conventional methods relying on empirical correlations and assumptions often result in high costs,time consumption,inaccuracies,and uncertainties.This study introduces a novel hybrid machine learning approach to predict the permeability of the Wangkwar formation in the Gunya oilfield,Northwestern Uganda.The group method of data handling with differential evolution(GMDH-DE)algorithm was used to predict permeability due to its capability to manage complex,nonlinear relationships between variables,reduced computation time,and parameter optimization through evolutionary algorithms.Using 1953 samples from Gunya-1 and Gunya-2 wells for training and 1563 samples from Gunya-3 for testing,the GMDH-DE outperformed the group method of data handling(GMDH)and random forest(RF)in predicting permeability with higher accuracy and lower computation time.The GMDH-DE achieved an R^(2)of 0.9985,RMSE of 3.157,MAE of 2.366,and ME of 0.001 during training,and for testing,the ME,MAE,RMSE,and R^(2)were 1.3508,12.503,21.3898,and 0.9534,respectively.Additionally,the GMDH-DE demonstrated a 41%reduction in processing time compared to GMDH and RF.The model was also used to predict the permeability of the Mita Gamma well in the Mandawa basin,Tanzania,which lacks core data.Shapley additive explanations(SHAP)analysis identified thermal neutron porosity(TNPH),effective porosity(PHIE),and spectral gamma-ray(SGR)as the most critical parameters in permeability prediction.Therefore,the GMDH-DE model offers a novel,efficient,and accurate approach for fast permeability prediction,enhancing hydrocarbon exploration and production.
