The tensile-shear interactive damage(TSID)model is a novel and powerful constitutive model for rock-like materials.This study proposes a methodology to calibrate the TSID model parameters to simulate sandstone.The bas...The tensile-shear interactive damage(TSID)model is a novel and powerful constitutive model for rock-like materials.This study proposes a methodology to calibrate the TSID model parameters to simulate sandstone.The basic parameters of sandstone are determined through a series of static and dynamic tests,including uniaxial compression,Brazilian disc,triaxial compression under varying confining pressures,hydrostatic compression,and dynamic compression and tensile tests with a split Hopkinson pressure bar.Based on the sandstone test results from this study and previous research,a step-by-step procedure for parameter calibration is outlined,which accounts for the categories of the strength surface,equation of state(EOS),strain rate effect,and damage.The calibrated parameters are verified through numerical tests that correspond to the experimental loading conditions.Consistency between numerical results and experimental data indicates the precision and reliability of the calibrated parameters.The methodology presented in this study is scientifically sound,straightforward,and essential for improving the TSID model.Furthermore,it has the potential to contribute to other rock constitutive models,particularly new user-defined models.展开更多
The substantial increase in the efficiency of organic solar cells achieved in recent years would not have been possible without work on the synthesis of new materials and understanding the relationship between the mor...The substantial increase in the efficiency of organic solar cells achieved in recent years would not have been possible without work on the synthesis of new materials and understanding the relationship between the morphology and performance of organic photovoltaic devices.The structure of solvent-cast active layers is a result of phase separation in mixtures of donor and acceptor components.To a large extent,this process depends on the interactions between the components of the mixture.Here,we present a systematic analysis of the morphology of poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)](PCDTBT)and[6,6]-phenyl-C71-butyric acid methyl ester(PC70BM)films in terms of the ternary phase diagram.The interaction parameters between PCDTBT and four different solvents,namely chloroform,chlorobenzene,o-dichlorobenzene,and toluene,were estimated based on swelling experiments.Based on these values,ternary phase diagrams of PCDTBT:PC70BM in different solvents were calculated.The morphology of spin-coated films with different blend ratios cast from different solvents is discussed in terms of the obtained phase diagrams.展开更多
Exoskeletons generally require accurate dynamic models to design the model-based controller conveniently under the human-robot interaction condition.However,due to unknown model parameters such as the mass,moment of i...Exoskeletons generally require accurate dynamic models to design the model-based controller conveniently under the human-robot interaction condition.However,due to unknown model parameters such as the mass,moment of inertia and mechanical size,the dynamic model of exoskeletons is difficult to construct.Hence,an enhanced whale optimization algorithm(EWOA)is proposed to identify the exoskeleton model parameters.Meanwhile,the periodic excitation trajectories are designed by finite Fourier series to input the desired position demand of exoskeletons with mechanical physical constraints.Then a backstepping controller based on the identified model is adopted to improve the human-robot wearable comfortable performance under cooperative motion.Finally,the proposed Model parameters identification and control are verified by a two-DOF exoskeletons platform.The knee joint motion achieves a steady-state response after 0.5 s.Meanwhile,the position error of hip joint response is less than 0.03 rad after 0.9 s.In addition,the steady-state human-robot interaction torque of the two joints is constrained within 15 N·m.This research proposes a whale optimization algorithm to optimize the excitation trajectory and identify model parameters.Furthermore,an enhanced mutation strategy is adopted to avoid whale evolution’s unsatisfactory local optimal value.展开更多
Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG wer...Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG were prepared by casting in methanol and water at concentrations of 20 wt%, 40 wt%, 60 wt%, and 80 wt% in PEG. The miscibility of the components was studied by Differential Scanning Calorimetry—DSC. All blend systems are characterized by a single glass transition temperature (Tg), close to the Tg of the amorphous component. The Hoffman Weeks method was used to determine equilibrium melting temperature (Tm) data. The determination of the melt point depression of the blends allowed the calculation of Flory-Huggins interaction parameter (χ12) of the two polymers in the melt, by using the Nishi Wang equation. The interaction parameters, calculated for all the blends, are slightly negative and close to zero, suggesting a partial miscibility between the components.展开更多
An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used t...An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used to represent the thermodynamics of binary alloys at higher concentrations. The present results reveal that it is an improper way to evaluate first and second-order interaction parameters simultaneously from the experimental data in the range of higher concentrations due to an inadequate accuracy Of high temperature experiments.展开更多
Method for constructing the optimal water supply line and formulas for calculating the targets for single-contaminant regeneration recycling water systems are improved to apply to the situation of variational pararnet...Method for constructing the optimal water supply line and formulas for calculating the targets for single-contaminant regeneration recycling water systems are improved to apply to the situation of variational pararneters in this article. Based on these extending methods, the effect of varying freshwater consumption and regenerated water flow rate on the optimizing results are investigated. The interactions of parameters of regeneration recycling systems are summarized. Finally, all the conclusions are illustrated from the results of mathematical programming through an example.展开更多
Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency ...Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group -OCOO- with the group -CH3, ACH, CH3OH and CH3COO- in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAC parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMC and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.展开更多
In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpr...In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.展开更多
The molecular interaction volume model (MIVM) for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction ...The molecular interaction volume model (MIVM) for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameter formalism (UIPF) can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.展开更多
Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide c...Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.展开更多
The time domain parameter laenuncauon memoa oi me iounuauon-structure interaction system is presented. On the basis of building the computation mode and the motion equation of the foundation-structure interaction syst...The time domain parameter laenuncauon memoa oi me iounuauon-structure interaction system is presented. On the basis of building the computation mode and the motion equation of the foundation-structure interaction system, the system parameter identification method was established by using the extended Kalman filter (EKF) technique and taking the unknown parameters in the system as the augment state variables. And the time parameter identification process of the foundation-structure interaction system was implemented by using the data of the layer foundation-storehouse interaction system model test on the large vibration platform. The computation result shows that the established parameter identification method can induce good parameter estimation.展开更多
The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artifici...The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artificial neural network method has been used for the computerized phase diagrams of continuous solid solution of bigamy alloy systems. The computerized phase diagrams well agree with the real phase diagmms.展开更多
The paper investigates the second-order interactions of parameters in an alkali-activated mixture of paper production waste(PPW)and blast furnace slag(BFS)in Taguchi method.The PPW including lime mud(LM)and paper slud...The paper investigates the second-order interactions of parameters in an alkali-activated mixture of paper production waste(PPW)and blast furnace slag(BFS)in Taguchi method.The PPW including lime mud(LM)and paper sludge(PS).This paper provides the experimental models to assess the compressive and flexural strength of them at 7-day and 28-day.The results have shown that the second-order interactions between PPW and alkali-activated activator exists in each experimental model,and the significant interactions affect the selection of optimal compositions.Compared with the interactions between the PPW themselves,the interactions between PPW and alkali-activated parameters are the main significant factors affecting its physical properties.In each experimental model,the maximum compressive strength was 47.41 MPa in 7-day and 65.64 MPa in 28-day.Compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 3.08%and 0.56%,respectively.The maximum flexural strength was 5.74 MPa in 7-day and 5.96 MPa in 28-day;compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 5.40%and 0.17%.Considering the influence of circular materials,30%of PPW should be a suitable ratio to replace BFS as the raw material of alkali-activated slag(AAS).展开更多
Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modifi...Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modified UNIFAC model for the improvement of predicting vapor-liquid equilibria. The predictions of vapor-liquid equilibria for 62 systems including alcohol- alkane, alcohol-benzene, and amine-water systems demonstrate that the revised parameters remarkably improve the prediction accuracy for many systems. Especially for amine-water system, the mean deviation of components decreases from 0.094 to 0.021, and the mean deviation of pressure from 22.45% to 4.41%.展开更多
Drug-target interactions prediction(DTIP)remains an important requirement in thefield of drug discovery and human medicine.The identification of interaction among the drug compound and target protein plays an essential ...Drug-target interactions prediction(DTIP)remains an important requirement in thefield of drug discovery and human medicine.The identification of interaction among the drug compound and target protein plays an essential pro-cess in the drug discovery process.It is a lengthier and complex process for pre-dicting the drug target interaction(DTI)utilizing experimental approaches.To resolve these issues,computational intelligence based DTIP techniques were developed to offer an efficient predictive model with low cost.The recently devel-oped deep learning(DL)models can be employed for the design of effective pre-dictive approaches for DTIP.With this motivation,this paper presents a new drug target interaction prediction using optimal recurrent neural network(DTIP-ORNN)technique.The goal of the DTIP-ORNN technique is to predict the DTIs in a semi-supervised way,i.e.,inclusion of both labelled and unlabelled instances.Initially,the DTIP-ORNN technique performs data preparation process and also includes class labelling process,where the target interactions from the database are used to determine thefinal label of the unlabelled instances.Besides,drug-to-drug(D-D)and target-to-target(T-T)interactions are used for the weight initia-tion of the RNN based bidirectional long short term memory(BiLSTM)model which is then utilized to the prediction of DTIs.Since hyperparameters signifi-cantly affect the prediction performance of the BiLSTM technique,the Adam optimizer is used which mainly helps to improve the DTI prediction outcomes.In order to ensure the enhanced predictive outcomes of the DTIP-ORNN techni-que,a series of simulations are implemented on four benchmark datasets.The comparative result analysis shows the promising performance of the DTIP-ORNN method on the recent approaches.展开更多
Inertial characteristics of non-cooperative targets are crucial for space capture and sub-sequent on-orbit servicing.Previous methods for identifying inertial parameters involve proximity operations,which are associat...Inertial characteristics of non-cooperative targets are crucial for space capture and sub-sequent on-orbit servicing.Previous methods for identifying inertial parameters involve proximity operations,which are associated with the risk of collision with non-cooperative targets.This paper introduces a long-range,contactless method for identifying the inertial parameters of a non-cooperative target during the pre-capture phase.Specifically,electrostatic interaction is used as an external excitation to alter the target's motion.A force estimation algorithm that uses measure-ments from visual and potential sensors is proposed to estimate the electrostatic interaction and eliminate the need for force sensors.Furthermore,a recursive estimation-identification framework is presented to concurrently estimate the coupled motion state,weak electrostatic interaction,and inertial parameters of the target.The simulation results show that the proposed method extends the identification distance to 170 times that of the previous method while maintaining high identifica-tion precision forall parameters.展开更多
Short pitch corrugation has been a problem for railways worldwide over one century.In this paper,a parametric investigation of fastenings is conducted to understand the corrugation formation mechanism and gain insight...Short pitch corrugation has been a problem for railways worldwide over one century.In this paper,a parametric investigation of fastenings is conducted to understand the corrugation formation mechanism and gain insights into corrugation mitigation.A three-dimensional finite element vehicle-track dynamic interaction model is employed,which considers the coupling between the structural dynamics and the contact mechanics,while the damage mechanism is assumed to be differential wear.Various fastening models with different configurations,boundary conditions,and parameters of stiffness and damping are built up and analysed.These models may represent different service stages of fastenings in the field.Besides,the effect of train speeds on corrugation features is studied.The results indicate:(1)Fastening parameters and modelling play an important role in corrugation formation.(2)The fastening longitudinal constraint to the rail is the major factor that determines the corrugation formation.The fastening vertical and lateral constraints influence corrugation features in terms of spatial distribution and wavelength components.(3)The strengthening of fastening constraints in the longitudinal dimension helps to mitigate corrugation.Meanwhile,the inner fastening constraint in the lateral direction is necessary for corrugation alleviation.(4)The increase in fastening longitudinal stiffness and damping can reduce the vibration amplitudes of longitudinal compression modes and thus reduce the track corrugation propensity.The simulation in this work can well explain the field corrugation in terms of the occurrence possibility and major wavelength components.It can also explain the field data with respect to the small variation between the corrugation wavelength and train speed,which is caused by frequency selection and jump between rail longitudinal compression modes.展开更多
Sixteen faba bean genotypes were evaluated in 13 environments in Ethiopia during the main cropping season for three years(2009–2011). The objectives of the study were to evaluate the yield stability of the genotypes ...Sixteen faba bean genotypes were evaluated in 13 environments in Ethiopia during the main cropping season for three years(2009–2011). The objectives of the study were to evaluate the yield stability of the genotypes and the relative importance of different stability parameters for improving selection in faba bean. The study was conducted using a randomized complete block design with four replications. G × E interaction and yield stability were estimated using 17 different stability parameters. Pooled analysis of variance for grain yield showed that the main effects of both genotypes and environments, and the interaction effect, were highly significant(P ≤ 0.001) and(P ≤ 0.01), respectively. The environment main effect accounted for 89.27% of the total yield variation, whereas genotype and G × E interaction effects accounted for 2.12% and 3.31%, respectively.Genotypic superiority index(Pi) and FT3 were found to be very informative for selecting both high-yielding and stable faba bean genotypes. Twelve of the 17 stability parameters,including CVi, RS, α, λ, S2 di, bi, S(2)i, Wi, σ2i, EV, P59, and ASV, were influenced simultaneously by both yield and stability. They should accordingly be used as complementary criteria to select genotypes with high yield and stability. Although none of the varieties showed consistently superior performance across all environments, the genotype EK 01024-1-2ranked in the top third of the test entries in 61.5% of the test environments and was identified as the most stable genotype, with type I stability. EK 01024-1-2 also showed a17.0% seed size advantage over the standard varieties and was released as a new variety in2013 for wide production and named "Gora". Different stability parameters explained genotypic performance differently, irrespective of yield performance. It was accordingly concluded that assessment of G × E interaction and yield stability should not be based on a single or a few stability parameters but rather on a combination of stability parameters.展开更多
基金funded by the National Natural Science Foundation of China(Grant No.12272247)National Key Project(Grant No.GJXM92579)Major Research and Development Project of Metallurgical Corporation of China Ltd.in the Non-Steel Field(Grant No.2021-5).
文摘The tensile-shear interactive damage(TSID)model is a novel and powerful constitutive model for rock-like materials.This study proposes a methodology to calibrate the TSID model parameters to simulate sandstone.The basic parameters of sandstone are determined through a series of static and dynamic tests,including uniaxial compression,Brazilian disc,triaxial compression under varying confining pressures,hydrostatic compression,and dynamic compression and tensile tests with a split Hopkinson pressure bar.Based on the sandstone test results from this study and previous research,a step-by-step procedure for parameter calibration is outlined,which accounts for the categories of the strength surface,equation of state(EOS),strain rate effect,and damage.The calibrated parameters are verified through numerical tests that correspond to the experimental loading conditions.Consistency between numerical results and experimental data indicates the precision and reliability of the calibrated parameters.The methodology presented in this study is scientifically sound,straightforward,and essential for improving the TSID model.Furthermore,it has the potential to contribute to other rock constitutive models,particularly new user-defined models.
基金the National Science Center(No.UMO-2013/11/B/ST5/04473)the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program(Contract No.POIG.02.01.00-12-023/08).
文摘The substantial increase in the efficiency of organic solar cells achieved in recent years would not have been possible without work on the synthesis of new materials and understanding the relationship between the morphology and performance of organic photovoltaic devices.The structure of solvent-cast active layers is a result of phase separation in mixtures of donor and acceptor components.To a large extent,this process depends on the interactions between the components of the mixture.Here,we present a systematic analysis of the morphology of poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)](PCDTBT)and[6,6]-phenyl-C71-butyric acid methyl ester(PC70BM)films in terms of the ternary phase diagram.The interaction parameters between PCDTBT and four different solvents,namely chloroform,chlorobenzene,o-dichlorobenzene,and toluene,were estimated based on swelling experiments.Based on these values,ternary phase diagrams of PCDTBT:PC70BM in different solvents were calculated.The morphology of spin-coated films with different blend ratios cast from different solvents is discussed in terms of the obtained phase diagrams.
基金Supported by National Key Research and Development Program of China(Grant No.2022YFF0708903)Ningbo Municipal Key Technology Research and Development Program of China(Grant No.2022Z006)Youth Fund of National Natural Science Foundation of China(Grant No.52205043)。
文摘Exoskeletons generally require accurate dynamic models to design the model-based controller conveniently under the human-robot interaction condition.However,due to unknown model parameters such as the mass,moment of inertia and mechanical size,the dynamic model of exoskeletons is difficult to construct.Hence,an enhanced whale optimization algorithm(EWOA)is proposed to identify the exoskeleton model parameters.Meanwhile,the periodic excitation trajectories are designed by finite Fourier series to input the desired position demand of exoskeletons with mechanical physical constraints.Then a backstepping controller based on the identified model is adopted to improve the human-robot wearable comfortable performance under cooperative motion.Finally,the proposed Model parameters identification and control are verified by a two-DOF exoskeletons platform.The knee joint motion achieves a steady-state response after 0.5 s.Meanwhile,the position error of hip joint response is less than 0.03 rad after 0.9 s.In addition,the steady-state human-robot interaction torque of the two joints is constrained within 15 N·m.This research proposes a whale optimization algorithm to optimize the excitation trajectory and identify model parameters.Furthermore,an enhanced mutation strategy is adopted to avoid whale evolution’s unsatisfactory local optimal value.
基金the Brazilian Agencies CNPq,CAPES and FAPEMIG for financial support.
文摘Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG were prepared by casting in methanol and water at concentrations of 20 wt%, 40 wt%, 60 wt%, and 80 wt% in PEG. The miscibility of the components was studied by Differential Scanning Calorimetry—DSC. All blend systems are characterized by a single glass transition temperature (Tg), close to the Tg of the amorphous component. The Hoffman Weeks method was used to determine equilibrium melting temperature (Tm) data. The determination of the melt point depression of the blends allowed the calculation of Flory-Huggins interaction parameter (χ12) of the two polymers in the melt, by using the Nishi Wang equation. The interaction parameters, calculated for all the blends, are slightly negative and close to zero, suggesting a partial miscibility between the components.
文摘An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used to represent the thermodynamics of binary alloys at higher concentrations. The present results reveal that it is an improper way to evaluate first and second-order interaction parameters simultaneously from the experimental data in the range of higher concentrations due to an inadequate accuracy Of high temperature experiments.
基金Supported by the National Natural Science Foundation of China (No.20436040).
文摘Method for constructing the optimal water supply line and formulas for calculating the targets for single-contaminant regeneration recycling water systems are improved to apply to the situation of variational pararneters in this article. Based on these extending methods, the effect of varying freshwater consumption and regenerated water flow rate on the optimizing results are investigated. The interactions of parameters of regeneration recycling systems are summarized. Finally, all the conclusions are illustrated from the results of mathematical programming through an example.
文摘Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group -OCOO- with the group -CH3, ACH, CH3OH and CH3COO- in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAC parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMC and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.
文摘In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.
基金This work was supported by the Joint Fund of the National Natural Science Foundation of China the Shanghai Baoshan Steel Complex under Grant No. 50274039.
文摘The molecular interaction volume model (MIVM) for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameter formalism (UIPF) can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.
基金This work was support by the National Natural Science Foundation of China(NSFC,No.2037402790103036).
文摘Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.
文摘The time domain parameter laenuncauon memoa oi me iounuauon-structure interaction system is presented. On the basis of building the computation mode and the motion equation of the foundation-structure interaction system, the system parameter identification method was established by using the extended Kalman filter (EKF) technique and taking the unknown parameters in the system as the augment state variables. And the time parameter identification process of the foundation-structure interaction system was implemented by using the data of the layer foundation-storehouse interaction system model test on the large vibration platform. The computation result shows that the established parameter identification method can induce good parameter estimation.
文摘The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artificial neural network method has been used for the computerized phase diagrams of continuous solid solution of bigamy alloy systems. The computerized phase diagrams well agree with the real phase diagmms.
基金This work was supported by Ministry of education of Taiwan(Grant No.H108-AA09)for funding,CHP for materials provision,and NCKU C-Hub for space and instruments.
文摘The paper investigates the second-order interactions of parameters in an alkali-activated mixture of paper production waste(PPW)and blast furnace slag(BFS)in Taguchi method.The PPW including lime mud(LM)and paper sludge(PS).This paper provides the experimental models to assess the compressive and flexural strength of them at 7-day and 28-day.The results have shown that the second-order interactions between PPW and alkali-activated activator exists in each experimental model,and the significant interactions affect the selection of optimal compositions.Compared with the interactions between the PPW themselves,the interactions between PPW and alkali-activated parameters are the main significant factors affecting its physical properties.In each experimental model,the maximum compressive strength was 47.41 MPa in 7-day and 65.64 MPa in 28-day.Compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 3.08%and 0.56%,respectively.The maximum flexural strength was 5.74 MPa in 7-day and 5.96 MPa in 28-day;compared with the confirmatory experiments,the deviation of prediction calculated by experimental models was 5.40%and 0.17%.Considering the influence of circular materials,30%of PPW should be a suitable ratio to replace BFS as the raw material of alkali-activated slag(AAS).
文摘Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modified UNIFAC model for the improvement of predicting vapor-liquid equilibria. The predictions of vapor-liquid equilibria for 62 systems including alcohol- alkane, alcohol-benzene, and amine-water systems demonstrate that the revised parameters remarkably improve the prediction accuracy for many systems. Especially for amine-water system, the mean deviation of components decreases from 0.094 to 0.021, and the mean deviation of pressure from 22.45% to 4.41%.
文摘Drug-target interactions prediction(DTIP)remains an important requirement in thefield of drug discovery and human medicine.The identification of interaction among the drug compound and target protein plays an essential pro-cess in the drug discovery process.It is a lengthier and complex process for pre-dicting the drug target interaction(DTI)utilizing experimental approaches.To resolve these issues,computational intelligence based DTIP techniques were developed to offer an efficient predictive model with low cost.The recently devel-oped deep learning(DL)models can be employed for the design of effective pre-dictive approaches for DTIP.With this motivation,this paper presents a new drug target interaction prediction using optimal recurrent neural network(DTIP-ORNN)technique.The goal of the DTIP-ORNN technique is to predict the DTIs in a semi-supervised way,i.e.,inclusion of both labelled and unlabelled instances.Initially,the DTIP-ORNN technique performs data preparation process and also includes class labelling process,where the target interactions from the database are used to determine thefinal label of the unlabelled instances.Besides,drug-to-drug(D-D)and target-to-target(T-T)interactions are used for the weight initia-tion of the RNN based bidirectional long short term memory(BiLSTM)model which is then utilized to the prediction of DTIs.Since hyperparameters signifi-cantly affect the prediction performance of the BiLSTM technique,the Adam optimizer is used which mainly helps to improve the DTI prediction outcomes.In order to ensure the enhanced predictive outcomes of the DTIP-ORNN techni-que,a series of simulations are implemented on four benchmark datasets.The comparative result analysis shows the promising performance of the DTIP-ORNN method on the recent approaches.
基金supported by the National Natural Science Foundation of China (No.6200326).
文摘Inertial characteristics of non-cooperative targets are crucial for space capture and sub-sequent on-orbit servicing.Previous methods for identifying inertial parameters involve proximity operations,which are associated with the risk of collision with non-cooperative targets.This paper introduces a long-range,contactless method for identifying the inertial parameters of a non-cooperative target during the pre-capture phase.Specifically,electrostatic interaction is used as an external excitation to alter the target's motion.A force estimation algorithm that uses measure-ments from visual and potential sensors is proposed to estimate the electrostatic interaction and eliminate the need for force sensors.Furthermore,a recursive estimation-identification framework is presented to concurrently estimate the coupled motion state,weak electrostatic interaction,and inertial parameters of the target.The simulation results show that the proposed method extends the identification distance to 170 times that of the previous method while maintaining high identifica-tion precision forall parameters.
文摘Short pitch corrugation has been a problem for railways worldwide over one century.In this paper,a parametric investigation of fastenings is conducted to understand the corrugation formation mechanism and gain insights into corrugation mitigation.A three-dimensional finite element vehicle-track dynamic interaction model is employed,which considers the coupling between the structural dynamics and the contact mechanics,while the damage mechanism is assumed to be differential wear.Various fastening models with different configurations,boundary conditions,and parameters of stiffness and damping are built up and analysed.These models may represent different service stages of fastenings in the field.Besides,the effect of train speeds on corrugation features is studied.The results indicate:(1)Fastening parameters and modelling play an important role in corrugation formation.(2)The fastening longitudinal constraint to the rail is the major factor that determines the corrugation formation.The fastening vertical and lateral constraints influence corrugation features in terms of spatial distribution and wavelength components.(3)The strengthening of fastening constraints in the longitudinal dimension helps to mitigate corrugation.Meanwhile,the inner fastening constraint in the lateral direction is necessary for corrugation alleviation.(4)The increase in fastening longitudinal stiffness and damping can reduce the vibration amplitudes of longitudinal compression modes and thus reduce the track corrugation propensity.The simulation in this work can well explain the field corrugation in terms of the occurrence possibility and major wavelength components.It can also explain the field data with respect to the small variation between the corrugation wavelength and train speed,which is caused by frequency selection and jump between rail longitudinal compression modes.
基金supported by the Ethiopian Institute of Agricultural Research
文摘Sixteen faba bean genotypes were evaluated in 13 environments in Ethiopia during the main cropping season for three years(2009–2011). The objectives of the study were to evaluate the yield stability of the genotypes and the relative importance of different stability parameters for improving selection in faba bean. The study was conducted using a randomized complete block design with four replications. G × E interaction and yield stability were estimated using 17 different stability parameters. Pooled analysis of variance for grain yield showed that the main effects of both genotypes and environments, and the interaction effect, were highly significant(P ≤ 0.001) and(P ≤ 0.01), respectively. The environment main effect accounted for 89.27% of the total yield variation, whereas genotype and G × E interaction effects accounted for 2.12% and 3.31%, respectively.Genotypic superiority index(Pi) and FT3 were found to be very informative for selecting both high-yielding and stable faba bean genotypes. Twelve of the 17 stability parameters,including CVi, RS, α, λ, S2 di, bi, S(2)i, Wi, σ2i, EV, P59, and ASV, were influenced simultaneously by both yield and stability. They should accordingly be used as complementary criteria to select genotypes with high yield and stability. Although none of the varieties showed consistently superior performance across all environments, the genotype EK 01024-1-2ranked in the top third of the test entries in 61.5% of the test environments and was identified as the most stable genotype, with type I stability. EK 01024-1-2 also showed a17.0% seed size advantage over the standard varieties and was released as a new variety in2013 for wide production and named "Gora". Different stability parameters explained genotypic performance differently, irrespective of yield performance. It was accordingly concluded that assessment of G × E interaction and yield stability should not be based on a single or a few stability parameters but rather on a combination of stability parameters.