Efficient and accurate simulation of unsteady flow presents a significant challenge that needs to be overcome in computational fluid dynamics.Temporal discretization method plays a crucial role in the simulation of un...Efficient and accurate simulation of unsteady flow presents a significant challenge that needs to be overcome in computational fluid dynamics.Temporal discretization method plays a crucial role in the simulation of unsteady flows.To enhance computational efficiency,we propose the Implicit-Explicit Two-Step Runge-Kutta(IMEX-TSRK)time-stepping discretization methods for unsteady flows,and develop a novel adaptive algorithm that correctly partitions spatial regions to apply implicit or explicit methods.The novel adaptive IMEX-TSRK schemes effectively handle the numerical stiffness of the small grid size and improve computational efficiency.Compared to implicit and explicit Runge-Kutta(RK)schemes,the IMEX-TSRK methods achieve the same order of accuracy with fewer first derivative calculations.Numerical case tests demonstrate that the IMEX-TSRK methods maintain numerical stability while enhancing computational efficiency.Specifically,in high Reynolds number flows,the computational efficiency of the IMEX-TSRK methods surpasses that of explicit RK schemes by more than one order of magnitude,and that of implicit RK schemes several times over.展开更多
In this paper,a two-step iteration method is established which can be viewed as a generalization of the existing modulus-based methods for vertical linear complementarity problems given by He and Vong(Appl.Math.Lett.1...In this paper,a two-step iteration method is established which can be viewed as a generalization of the existing modulus-based methods for vertical linear complementarity problems given by He and Vong(Appl.Math.Lett.134:108344,2022).The convergence analysis of the proposed method is established,which can improve the existing results.Numerical examples show that the proposed method is efficient with the two-step technique.展开更多
Tin(Sn)-lead(Pb)mixed halide perovskites have attracted widespread interest due to their wider re-sponse wavelength and lower toxicity than lead halide perovskites,Among the preparation methods,the two-step method mor...Tin(Sn)-lead(Pb)mixed halide perovskites have attracted widespread interest due to their wider re-sponse wavelength and lower toxicity than lead halide perovskites,Among the preparation methods,the two-step method more easily controls the crystallization rate and is suitable for preparing large-area per-ovskite devices.However,the residual low-conductivity iodide layer in the two-step method can affect carrier transport and device stability,and the different crystallization rates of Sn-and Pb-based per-ovskites may result in poor film quality.Therefore,Sn-Pb mixed perovskites are mainly prepared by a one-step method.Herein,a MAPb_(0.5)Sn_(0.5)I_(3)-based self-powered photodetector without a hole transport layer is fabricated by a two-step method.By adjusting the concentration of the ascorbic acid(AA)addi-tive,the final perovskite film exhibited a pure phase without residues,and the optimal device exhibited a high responsivity(0.276 A W^(-1)),large specific detectivity(2.38×10^(12) Jones),and enhanced stability.This enhancement is mainly attributed to the inhibition of Sn2+oxidation,the control of crystal growth,and the sufficient reaction between organic ammonium salts and bottom halides due to the AA-induced pore structure.展开更多
Temperature-dependent photoluminescence characteristics of organic-inorganic halide perovskite CH3NH3Pb I3-xClx films prepared using a two-step method on ZnO/FTO substrates were investigated. Surface morphology and ab...Temperature-dependent photoluminescence characteristics of organic-inorganic halide perovskite CH3NH3Pb I3-xClx films prepared using a two-step method on ZnO/FTO substrates were investigated. Surface morphology and absorption characteristics of the films were also studied. Scanning electron microscopy revealed large crystals and substrate coverage. The orthorhombic-to-tetragonal phase transition temperature was-140 K. The films＇ exciton binding energy was 77.6 ± 10.9 meV and the energy of optical phonons was 38.8 ± 2.5 meV. These results suggest that perovskite CH3NH3Pb I（3-x）Clx films have excellent optoelectronic characteristics which further suggests their potential usage in perovskitebased optoelectronic devices.展开更多
The distribution of remaining oil is often described qualitatively. The remaining oil distributed in the whole reservoir is calculated according to the characteristics of the space distribution of the saturation of re...The distribution of remaining oil is often described qualitatively. The remaining oil distributed in the whole reservoir is calculated according to the characteristics of the space distribution of the saturation of remaining oil. Logging data are required to accomplish this. However, many such projects cannot be completed. Since the old study of remaining oil distribution could not be quantified efficiently, the ＂dynamic two-step method＂ is presented. Firstly, the water cut of every flow unit in one well at one time is calculated according to the comprehensive water cut of a single well at one time. Secondly, the remaining oil saturation of the flow unit of the well at one time is calculated based on the water cut of the flow unit at a given time. The results show that ＂dynamic two-step method＂ has characteristics of simplicity and convenience, and is especially suitable for the study of remaining oil distribution at high water-cut stage. The distribution of remaining oil presented banding and potato form, remaining oil was relatively concentrated in faultage neighborhood and imperfect well netting position, and the net thickness of the place was great. This proposal can provide an effective way to forecast remaining oil distribution and enhance oil recovery, especially applied at the high water-cut stage.展开更多
ZnO/graphene oxide（ZnO/GO） composite material,in which ZnO nanoparticles were densely coated on the GO nanosheets,was successfully prepared by an improved two-step method and characterized by IR, XRD,TEM,and UV-vis ...ZnO/graphene oxide（ZnO/GO） composite material,in which ZnO nanoparticles were densely coated on the GO nanosheets,was successfully prepared by an improved two-step method and characterized by IR, XRD,TEM,and UV-vis techniques.The improved photocatalytic property of the ZnO/GO composite material,evaluated by the photocatalytic degradation of methyl orange（MO） under UV irradiation,is ascribed to the intimate contact between ZnO and GO,the enhanced adsorption of MO,the quick electron transfer from excited ZnO particles to GO sheets and the activation of MO molecules viaπ-πinteraction between MO and GO.展开更多
In order to make more available methods for natural jadeite quality evaluation,this study applied rigorous coupled wave theory to calculate and simulate the reflection characteristics of various natural jadeites,and e...In order to make more available methods for natural jadeite quality evaluation,this study applied rigorous coupled wave theory to calculate and simulate the reflection characteristics of various natural jadeites,and establish evaluation standard based on the relationship between refractive index and reflectivity and responses of reflection efficiency to refractive index,grating thickness and incident angles,etc.The results suggest that reflection efficiency varies significantly as a function of the natural jadeite quality,which can provide a new method to evaluate natural jadeite.展开更多
Under the assumption that the nonlinear operator has Lipschitz continuous divided differences for the first order,we obtain an estimate of the radius of the convergence ball for the two-step secant method.Moreover,we ...Under the assumption that the nonlinear operator has Lipschitz continuous divided differences for the first order,we obtain an estimate of the radius of the convergence ball for the two-step secant method.Moreover,we also provide an error estimate that matches the convergence order of the two-step secant method.At last,we give an application of the proposed theorem.展开更多
Multiplicative noise removal problems have attracted much attention in recent years.Unlike additive noise,multiplicative noise destroys almost all information of the original image,especially for texture images.Motiva...Multiplicative noise removal problems have attracted much attention in recent years.Unlike additive noise,multiplicative noise destroys almost all information of the original image,especially for texture images.Motivated by the TV-Stokes model,we propose a new two-step variational model to denoise the texture images corrupted by multiplicative noise with a good geometry explanation in this paper.In the first step,we convert the multiplicative denoising problem into an additive one by the logarithm transform and propagate the isophote directions in the tangential field smoothing.Once the isophote directions are constructed,an image is restored to fit the constructed directions in the second step.The existence and uniqueness of the solution to the variational problems are proved.In these two steps,we use the gradient descent method and construct finite difference schemes to solve the problems.Especially,the augmented Lagrangian method and the fast Fourier transform are adopted to accelerate the calculation.Experimental results show that the proposed model can remove the multiplicative noise efficiently and protect the texture well.展开更多
The Adomian decomposition method (ADM) can be used to solve a wide range of problems and usually gets the solution in a series form. In this paper, we propose two-step Adomian Decomposition Method (TSAM) for nonlinear...The Adomian decomposition method (ADM) can be used to solve a wide range of problems and usually gets the solution in a series form. In this paper, we propose two-step Adomian Decomposition Method (TSAM) for nonlinear integro-differential equations that will facilitate the calculations. In this modification, compared to the standard Adomian decomposition method, the size of calculations was reduced. This modification also avoids computing Adomian polynomials. Numerical results are given to show the efficiency and performance of this method.展开更多
The accelerating factor （AF） method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics （HD） simulation, the relationsh...The accelerating factor （AF） method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics （HD） simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF＇s impact on the diffusion constant （D0） and activation energy （Q^＊） was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases： one for acceleration and the other for equilibration. The results show that： the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q＊ and Q conforms to Q^＊=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/（ART）]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words： accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation展开更多
Higher-order modes of the neutron diffusion/transport equation can be used to study the temporal behavior of nuclear reactors and can be applied in modal analysis, transient analysis, and online monitoring of the reac...Higher-order modes of the neutron diffusion/transport equation can be used to study the temporal behavior of nuclear reactors and can be applied in modal analysis, transient analysis, and online monitoring of the reactor core. Both the deterministic method and the Monte Carlo(MC) method can be used to solve the higher-order modes. However, MC method, compared to the deterministic method, faces challenges in terms of computational efficiency and α mode calculation stability, whereas the deterministic method encounters issues arising from homogenization-related geometric and energy spectra adaptation.Based on the higher-order mode diffusion calculation code HARMONY, we developed a new higher-order mode calculation code, HARMONY2.0, which retains the functionality of computing λ and α higher-order modes from HARMONY1.0, but enhances the ability to treat complex geometries and arbitrary energy spectra using the MC-deterministic hybrid two-step strategy. In HARMONY2.0, the mesh homogenized multigroup constants were obtained using OpenMC in the first step,and higher-order modes were then calculated with the mesh homogenized core diffusion model using the implicitly restarted Arnoldi method(IRAM), which was also adopted in the HARMONY1.0 code. In addition, to improve the calculation efficiency, particularly in large higher-order modes, event-driven parallelization/domain decomposition methods are embedded in the HARMONY2.0 code to accelerate the inner iteration of λ∕α mode using OpenMP. Furthermore, the higher-order modes of complex geometric models, such as Hoogenboom and ATR reactors for λ mode and the MUSE-4 experiment facility for the prompt α mode, were computed using diffusion theory.展开更多
Introducing a stoichiometric excess of lead iodide(PbI_(2))in perovskite films has been demonstrated as an effective passivation strategy that can improve the power conversion efficiency(PCE)of perovskite solar cells(...Introducing a stoichiometric excess of lead iodide(PbI_(2))in perovskite films has been demonstrated as an effective passivation strategy that can improve the power conversion efficiency(PCE)of perovskite solar cells(PSCs),However,excess PbI_(2)is also known to accelerate the degradation of the perovskite layer.In this study,we show that this degradation primarily stems from the decomposition of PbI_(2)at the bottom of the perovskite film which is exposed to light We further show that when using a two-step spin coating deposition procedure,the excess PbI_(2)results from the decomposition of the perovskite during the annealing process rather than the presence of non-reacted PbI_(2).Finally,we demonstrate that the spatial distribution of PbI_(2)within the perovskite films can be controlled in a way that mitigates the PbI_(2)induced perovskite decomposition.In this manner,we produced devices exhibiting initial power conversion efficiencies over 25%,maintaining 98.6% after 1000 h of maximum power point tracking under continuous illumination.These findings offer valuable insights into achieving high performance PSCs through judicious process control using a two-step spin-coating procedure.展开更多
The paper aims to demonstrate the system of SANYI biogas power generation by two-step method which can produce methane and generate electricity effectively and stably.So it can be stable synchronization meshwork energ...The paper aims to demonstrate the system of SANYI biogas power generation by two-step method which can produce methane and generate electricity effectively and stably.So it can be stable synchronization meshwork energy source establishment and provide references to develop an effective and stable project of producing methane and generating electricity.展开更多
A novel method was developed to deposit a large crystal diamond with good facets up to 1000 μm on a tungsten substrate using a microwave plasma enhanced chemical vapor deposition （MPCVD）. This method consists of tw...A novel method was developed to deposit a large crystal diamond with good facets up to 1000 μm on a tungsten substrate using a microwave plasma enhanced chemical vapor deposition （MPCVD）. This method consists of two steps, namely single-crystal nucleation and growth. Prior to the fabrication of the well-faceted, large crystal diamond, an investigation was made into the nucleation and growth of the diamond which were affected by the O2 concentration and substrate temperature. Deposited diamond crystals were characterized by scanning electron microscopy and micro-Raman spectroscopy. The results showed that the conditions of single-crystal nucleation were appropriate when the ratio of H2/CH4/O2 was about 200/7.0/2.0, while the sub- strate temperature Ts of 1000℃ to 1050℃ was the appropriate range for single-crystal diamond growth. Under the optimum parameters, a well-faeeted large crystal diamond was obtained.展开更多
Ionic liquids(ILs)have been widely applied in the one-step fabrication of perovskite with noticeable enhancement in the device performance.However,in-depth mechanism of ionic-liquid-assisted perovskite film formation ...Ionic liquids(ILs)have been widely applied in the one-step fabrication of perovskite with noticeable enhancement in the device performance.However,in-depth mechanism of ionic-liquid-assisted perovskite film formation is not well understood for also important two-step perovskite fabrication method,with better control of crystallization behavior.In this work,we introduced ionic liquid methylammonium formate(MAFa)into organic salt to produce perovskite film via a two-step method.Systematic investigations on the influence of MAFa on the perovskite thin film formation mechanism were performed.Ionic liquid is shown to assist lowering the perovskite formation enthalpy upon the density functional theory(DFT)calculation,leading to an accelerated crystallization process evidenced by in-situ UV-Vis absorption measurement.A gradient up-down distribution of ionic liquid has been confirmed by timeof-flight SIMS.Importantly,besides the surface passivation,we found the HCOO-can diffuse into the perovskite crystals to fill up the halide vacancies,resulting in significant reduction of trap states.Uniform perovskite films with significantly larger grains and less defect density were prepared with the help of MAFa IL,and the corresponding device efficiency over 23%was obtained by two-step process with remarkably improved stability.This research work provides an efficient strategy to tune the morphology and opto-electronic properties of perovskite materials via ionic-liquid-assisted two-step fabrication method,which is beneficial for upscaling and application of perovskite photovoltaics.展开更多
An idea of relaxing the effect of delay when computing the Runge-Kutta stages in the current step and a class of two-step continuity Runge-Kutta methods （TSCRK） is presented. Their construction, their order conditio...An idea of relaxing the effect of delay when computing the Runge-Kutta stages in the current step and a class of two-step continuity Runge-Kutta methods （TSCRK） is presented. Their construction, their order conditions and their convergence are studied. The two-step continuity Runge-Kutta methods possess good numerical stability properties and higher stage-order, and keep the explicit process of computing the Runge-Kutta stages. The numerical experiments show that the TSCRK methods are efficient.展开更多
In this note we at first briefly review iterative methods for effectively approaching a root of an unknown multiplicity. We describe a first order, then a second order estimate for the multiplicity index m of the appr...In this note we at first briefly review iterative methods for effectively approaching a root of an unknown multiplicity. We describe a first order, then a second order estimate for the multiplicity index m of the approached root. Next we present a second order, two-step method for iteratively nearing a root of an unknown multiplicity. Subsequently, we introduce a novel chord, or a two- step method, not requiring beforehand knowledge of the multiplicity index m of the sought root, nor requiring higher order derivatives of the equilibrium function, which is quadratically convergent for any , and then reverts to superlinear.展开更多
基金supported by the National Natural Science Foundation of China(No.92252201)the Fundamental Research Funds for the Central Universitiesthe Academic Excellence Foundation of Beihang University(BUAA)for PhD Students。
文摘Efficient and accurate simulation of unsteady flow presents a significant challenge that needs to be overcome in computational fluid dynamics.Temporal discretization method plays a crucial role in the simulation of unsteady flows.To enhance computational efficiency,we propose the Implicit-Explicit Two-Step Runge-Kutta(IMEX-TSRK)time-stepping discretization methods for unsteady flows,and develop a novel adaptive algorithm that correctly partitions spatial regions to apply implicit or explicit methods.The novel adaptive IMEX-TSRK schemes effectively handle the numerical stiffness of the small grid size and improve computational efficiency.Compared to implicit and explicit Runge-Kutta(RK)schemes,the IMEX-TSRK methods achieve the same order of accuracy with fewer first derivative calculations.Numerical case tests demonstrate that the IMEX-TSRK methods maintain numerical stability while enhancing computational efficiency.Specifically,in high Reynolds number flows,the computational efficiency of the IMEX-TSRK methods surpasses that of explicit RK schemes by more than one order of magnitude,and that of implicit RK schemes several times over.
基金supported by the Scientific Computing Research Innovation Team of Guangdong Province(no.2021KCXTD052)the Science and Technology Development Fund,Macao SAR(no.0096/2022/A,0151/2022/A)+3 种基金University of Macao(no.MYRG2020-00035-FST,MYRG2022-00076-FST)the Guangdong Key Construction Discipline Research Capacity Enhancement Project(no.2022ZDJS049)Technology Planning Project of Shaoguan(no.210716094530390)the ScienceFoundation of Shaoguan University(no.SZ2020KJ01).
文摘In this paper,a two-step iteration method is established which can be viewed as a generalization of the existing modulus-based methods for vertical linear complementarity problems given by He and Vong(Appl.Math.Lett.134:108344,2022).The convergence analysis of the proposed method is established,which can improve the existing results.Numerical examples show that the proposed method is efficient with the two-step technique.
基金supported by the National Natural Science Foun-dation of China(Nos.52025028,52332008,52372214,52202273,and U22A20137)the Priority Academic Program Development(PAPD)of Jiangsu Higher Education Institutions.
文摘Tin(Sn)-lead(Pb)mixed halide perovskites have attracted widespread interest due to their wider re-sponse wavelength and lower toxicity than lead halide perovskites,Among the preparation methods,the two-step method more easily controls the crystallization rate and is suitable for preparing large-area per-ovskite devices.However,the residual low-conductivity iodide layer in the two-step method can affect carrier transport and device stability,and the different crystallization rates of Sn-and Pb-based per-ovskites may result in poor film quality.Therefore,Sn-Pb mixed perovskites are mainly prepared by a one-step method.Herein,a MAPb_(0.5)Sn_(0.5)I_(3)-based self-powered photodetector without a hole transport layer is fabricated by a two-step method.By adjusting the concentration of the ascorbic acid(AA)addi-tive,the final perovskite film exhibited a pure phase without residues,and the optimal device exhibited a high responsivity(0.276 A W^(-1)),large specific detectivity(2.38×10^(12) Jones),and enhanced stability.This enhancement is mainly attributed to the inhibition of Sn2+oxidation,the control of crystal growth,and the sufficient reaction between organic ammonium salts and bottom halides due to the AA-induced pore structure.
基金supported by the International Science and Technology Cooperation Program of Science and Technology Bureau of Changchun City,China(Grant No.12ZX68)
文摘Temperature-dependent photoluminescence characteristics of organic-inorganic halide perovskite CH3NH3Pb I3-xClx films prepared using a two-step method on ZnO/FTO substrates were investigated. Surface morphology and absorption characteristics of the films were also studied. Scanning electron microscopy revealed large crystals and substrate coverage. The orthorhombic-to-tetragonal phase transition temperature was-140 K. The films＇ exciton binding energy was 77.6 ± 10.9 meV and the energy of optical phonons was 38.8 ± 2.5 meV. These results suggest that perovskite CH3NH3Pb I（3-x）Clx films have excellent optoelectronic characteristics which further suggests their potential usage in perovskitebased optoelectronic devices.
文摘The distribution of remaining oil is often described qualitatively. The remaining oil distributed in the whole reservoir is calculated according to the characteristics of the space distribution of the saturation of remaining oil. Logging data are required to accomplish this. However, many such projects cannot be completed. Since the old study of remaining oil distribution could not be quantified efficiently, the ＂dynamic two-step method＂ is presented. Firstly, the water cut of every flow unit in one well at one time is calculated according to the comprehensive water cut of a single well at one time. Secondly, the remaining oil saturation of the flow unit of the well at one time is calculated based on the water cut of the flow unit at a given time. The results show that ＂dynamic two-step method＂ has characteristics of simplicity and convenience, and is especially suitable for the study of remaining oil distribution at high water-cut stage. The distribution of remaining oil presented banding and potato form, remaining oil was relatively concentrated in faultage neighborhood and imperfect well netting position, and the net thickness of the place was great. This proposal can provide an effective way to forecast remaining oil distribution and enhance oil recovery, especially applied at the high water-cut stage.
基金supported by the Natural Science Foundation of China(No.21174114)the Ministry of Education Plan for Yangtze River Scholar and Innovation Team Development(No.IRT1177)+2 种基金Scientific and Technical Plan Project of Gansu Province(No. 1204GKCA006)the Natural Science Foundation of Gansu Province (No.1010RJZA024)Scientific and Technical Innovation Project of Northwest Normal University(No.nwnu-kjcxgc-03-63)
文摘ZnO/graphene oxide（ZnO/GO） composite material,in which ZnO nanoparticles were densely coated on the GO nanosheets,was successfully prepared by an improved two-step method and characterized by IR, XRD,TEM,and UV-vis techniques.The improved photocatalytic property of the ZnO/GO composite material,evaluated by the photocatalytic degradation of methyl orange（MO） under UV irradiation,is ascribed to the intimate contact between ZnO and GO,the enhanced adsorption of MO,the quick electron transfer from excited ZnO particles to GO sheets and the activation of MO molecules viaπ-πinteraction between MO and GO.
文摘In order to make more available methods for natural jadeite quality evaluation,this study applied rigorous coupled wave theory to calculate and simulate the reflection characteristics of various natural jadeites,and establish evaluation standard based on the relationship between refractive index and reflectivity and responses of reflection efficiency to refractive index,grating thickness and incident angles,etc.The results suggest that reflection efficiency varies significantly as a function of the natural jadeite quality,which can provide a new method to evaluate natural jadeite.
基金supported by National Natural Science Foundation of China(11771393,11371320,11632015)Zhejiang Natural Science Foundation(LZ14A010002,LQ18A010008)Scientific Research Fund of Zhejiang Provincial Education Department(FX2016073)
文摘Under the assumption that the nonlinear operator has Lipschitz continuous divided differences for the first order,we obtain an estimate of the radius of the convergence ball for the two-step secant method.Moreover,we also provide an error estimate that matches the convergence order of the two-step secant method.At last,we give an application of the proposed theorem.
文摘Multiplicative noise removal problems have attracted much attention in recent years.Unlike additive noise,multiplicative noise destroys almost all information of the original image,especially for texture images.Motivated by the TV-Stokes model,we propose a new two-step variational model to denoise the texture images corrupted by multiplicative noise with a good geometry explanation in this paper.In the first step,we convert the multiplicative denoising problem into an additive one by the logarithm transform and propagate the isophote directions in the tangential field smoothing.Once the isophote directions are constructed,an image is restored to fit the constructed directions in the second step.The existence and uniqueness of the solution to the variational problems are proved.In these two steps,we use the gradient descent method and construct finite difference schemes to solve the problems.Especially,the augmented Lagrangian method and the fast Fourier transform are adopted to accelerate the calculation.Experimental results show that the proposed model can remove the multiplicative noise efficiently and protect the texture well.
文摘The Adomian decomposition method (ADM) can be used to solve a wide range of problems and usually gets the solution in a series form. In this paper, we propose two-step Adomian Decomposition Method (TSAM) for nonlinear integro-differential equations that will facilitate the calculations. In this modification, compared to the standard Adomian decomposition method, the size of calculations was reduced. This modification also avoids computing Adomian polynomials. Numerical results are given to show the efficiency and performance of this method.
基金Project (2012CB722805) supported by the National Basic Research Program of ChinaProjects (50974083, 51174131) supported by the National Natural Science Foundation of China+1 种基金Project (50774112) supported by the Joint Fund of NSFC and Baosteel, ChinaProject(07QA4021) supported by the Shanghai "Phosphor" Science Foundation, China
文摘The accelerating factor （AF） method is a simple and appropriate way to investigate the atomic long-time deep diffusion at solid-solid interface. In the framework of AF hyperdynamics （HD） simulation, the relationship between the diffusion coefficient along the direction of z-axis which is normal to the Mg/Zn interface and temperature was investigated, and the AF＇s impact on the diffusion constant （D0） and activation energy （Q^＊） was studied. Then, two steps were taken to simulate the atomic diffusion process and the formation of new phases： one for acceleration and the other for equilibration. The results show that： the Arrhenius equation works well for the description of Dz with different accelerating factors; the AF has no effect on the diffusion constant Do in the case of no phase transition; and the relationship between Q＊ and Q conforms to Q^＊=Q/A. Then, the new Arrhenius equation for AFHD is successfully constructed as Dz=Doexp[-Q/（ART）]. Meanwhile, the authentic equilibrium conformations at any dynamic moment can only be reproduced by the equilibration simulation of the HD-simulated configurations. Key words： accelerating factor method; Arrhenius equation; two-steps scheme; Mg/Zn interface; hyperdynamic simulation
基金supported by the National Natural Science Foundation of China(No.U2267207)Science and Technology on Reactor System Design Technology Laboratory(No.KFKT-05-FWHTWU-2023004).
文摘Higher-order modes of the neutron diffusion/transport equation can be used to study the temporal behavior of nuclear reactors and can be applied in modal analysis, transient analysis, and online monitoring of the reactor core. Both the deterministic method and the Monte Carlo(MC) method can be used to solve the higher-order modes. However, MC method, compared to the deterministic method, faces challenges in terms of computational efficiency and α mode calculation stability, whereas the deterministic method encounters issues arising from homogenization-related geometric and energy spectra adaptation.Based on the higher-order mode diffusion calculation code HARMONY, we developed a new higher-order mode calculation code, HARMONY2.0, which retains the functionality of computing λ and α higher-order modes from HARMONY1.0, but enhances the ability to treat complex geometries and arbitrary energy spectra using the MC-deterministic hybrid two-step strategy. In HARMONY2.0, the mesh homogenized multigroup constants were obtained using OpenMC in the first step,and higher-order modes were then calculated with the mesh homogenized core diffusion model using the implicitly restarted Arnoldi method(IRAM), which was also adopted in the HARMONY1.0 code. In addition, to improve the calculation efficiency, particularly in large higher-order modes, event-driven parallelization/domain decomposition methods are embedded in the HARMONY2.0 code to accelerate the inner iteration of λ∕α mode using OpenMP. Furthermore, the higher-order modes of complex geometric models, such as Hoogenboom and ATR reactors for λ mode and the MUSE-4 experiment facility for the prompt α mode, were computed using diffusion theory.
基金funding support from the National Key R&D Program of China(2021YFF0501900)the Excellent Young Scholar Fund from the National Natural Science Foundation of China(22122903)+1 种基金the Tianjin Distinguished Young Scholar Fund(20JCJQJC00260)support from the Tianchi Talent Program of Xinjiang Uygur Autonomous Region。
文摘Introducing a stoichiometric excess of lead iodide(PbI_(2))in perovskite films has been demonstrated as an effective passivation strategy that can improve the power conversion efficiency(PCE)of perovskite solar cells(PSCs),However,excess PbI_(2)is also known to accelerate the degradation of the perovskite layer.In this study,we show that this degradation primarily stems from the decomposition of PbI_(2)at the bottom of the perovskite film which is exposed to light We further show that when using a two-step spin coating deposition procedure,the excess PbI_(2)results from the decomposition of the perovskite during the annealing process rather than the presence of non-reacted PbI_(2).Finally,we demonstrate that the spatial distribution of PbI_(2)within the perovskite films can be controlled in a way that mitigates the PbI_(2)induced perovskite decomposition.In this manner,we produced devices exhibiting initial power conversion efficiencies over 25%,maintaining 98.6% after 1000 h of maximum power point tracking under continuous illumination.These findings offer valuable insights into achieving high performance PSCs through judicious process control using a two-step spin-coating procedure.
文摘The paper aims to demonstrate the system of SANYI biogas power generation by two-step method which can produce methane and generate electricity effectively and stably.So it can be stable synchronization meshwork energy source establishment and provide references to develop an effective and stable project of producing methane and generating electricity.
基金supported by the Natural Science Foundation of Hubei Province of China(2008CDB255)the Educational Commission of Hubei Province of China(No.Q20081505)the Key Laboratory for Green Chemical Process of the Ministry of Education of China (No.RGCT200801)
文摘A novel method was developed to deposit a large crystal diamond with good facets up to 1000 μm on a tungsten substrate using a microwave plasma enhanced chemical vapor deposition （MPCVD）. This method consists of two steps, namely single-crystal nucleation and growth. Prior to the fabrication of the well-faceted, large crystal diamond, an investigation was made into the nucleation and growth of the diamond which were affected by the O2 concentration and substrate temperature. Deposited diamond crystals were characterized by scanning electron microscopy and micro-Raman spectroscopy. The results showed that the conditions of single-crystal nucleation were appropriate when the ratio of H2/CH4/O2 was about 200/7.0/2.0, while the sub- strate temperature Ts of 1000℃ to 1050℃ was the appropriate range for single-crystal diamond growth. Under the optimum parameters, a well-faeeted large crystal diamond was obtained.
基金supported by the National Natural Science Foundation of China(Grant Nos.62004129,51472189,22005202)the Shenzhen Science and Technology Innovation Commission(JCYJ20200109105003940)+2 种基金the Research Grants Council of Hong Kong(GRF grant 15221320,CRF C5037-18G,C7018-20G)the Hong Kong Polytechnic University Funds(Sir Sze-yuen Chung Endowed Professorship Fund(8-8480)RISE(Q-CDA5)。
文摘Ionic liquids(ILs)have been widely applied in the one-step fabrication of perovskite with noticeable enhancement in the device performance.However,in-depth mechanism of ionic-liquid-assisted perovskite film formation is not well understood for also important two-step perovskite fabrication method,with better control of crystallization behavior.In this work,we introduced ionic liquid methylammonium formate(MAFa)into organic salt to produce perovskite film via a two-step method.Systematic investigations on the influence of MAFa on the perovskite thin film formation mechanism were performed.Ionic liquid is shown to assist lowering the perovskite formation enthalpy upon the density functional theory(DFT)calculation,leading to an accelerated crystallization process evidenced by in-situ UV-Vis absorption measurement.A gradient up-down distribution of ionic liquid has been confirmed by timeof-flight SIMS.Importantly,besides the surface passivation,we found the HCOO-can diffuse into the perovskite crystals to fill up the halide vacancies,resulting in significant reduction of trap states.Uniform perovskite films with significantly larger grains and less defect density were prepared with the help of MAFa IL,and the corresponding device efficiency over 23%was obtained by two-step process with remarkably improved stability.This research work provides an efficient strategy to tune the morphology and opto-electronic properties of perovskite materials via ionic-liquid-assisted two-step fabrication method,which is beneficial for upscaling and application of perovskite photovoltaics.
文摘An idea of relaxing the effect of delay when computing the Runge-Kutta stages in the current step and a class of two-step continuity Runge-Kutta methods （TSCRK） is presented. Their construction, their order conditions and their convergence are studied. The two-step continuity Runge-Kutta methods possess good numerical stability properties and higher stage-order, and keep the explicit process of computing the Runge-Kutta stages. The numerical experiments show that the TSCRK methods are efficient.
文摘In this note we at first briefly review iterative methods for effectively approaching a root of an unknown multiplicity. We describe a first order, then a second order estimate for the multiplicity index m of the approached root. Next we present a second order, two-step method for iteratively nearing a root of an unknown multiplicity. Subsequently, we introduce a novel chord, or a two- step method, not requiring beforehand knowledge of the multiplicity index m of the sought root, nor requiring higher order derivatives of the equilibrium function, which is quadratically convergent for any , and then reverts to superlinear.
基金supported by the Mathematics and Physics Foundation of Beijing Polytechnic University and the National Natural Science Foundation of China (Grant No 40536029)
文摘Explicit solutions are derived for some nonlinear physical model equations by using a delicate way of two-step ansatz method.
