The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-ti...The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.展开更多
The dramatic rise in the number of people living in cities has made many environmental and social problems worse.The search for a productive method for disposing of solid waste is the most notable of these problems.Ma...The dramatic rise in the number of people living in cities has made many environmental and social problems worse.The search for a productive method for disposing of solid waste is the most notable of these problems.Many scholars have referred to it as a fuzzy multi-attribute or multi-criteria decision-making problem using various fuzzy set-like approaches because of the inclusion of criteria and anticipated ambiguity.The goal of the current study is to use an innovative methodology to address the expected uncertainties in the problem of solid waste site selection.The characteristics(or sub-attributes)that decision-makers select and the degree of approximation they accept for various options can both be indicators of these uncertainties.To tackle these problems,a novel mathematical structure known as the fuzzy parameterized possibility single valued neutrosophic hypersoft expert set(ρˆ-set),which is initially described,is integrated with a modified version of Sanchez’s method.Following this,an intelligent algorithm is suggested.The steps of the suggested algorithm are explained with an example that explains itself.The compatibility of solid waste management sites and systems is discussed,and rankings are established along with detailed justifications for their viability.This study’s strengths lie in its application of fuzzy parameterization and possibility grading to effectively handle the uncertainties embodied in the parameters’nature and alternative approximations,respectively.It uses specific mathematical formulations to compute the fuzzy parameterized degrees and possibility grades that are missing from the prior literature.It is simpler for the decisionmakers to look at each option separately because the decision is uncertain.Comparing the computed results,it is discovered that they are consistent and dependable because of their preferred properties.展开更多
In this paper,the authors prove that the parameterized area integralμ_(Ω,S)^(ρ)and the parameterized Littlewood-Paley g_(δ)^(*)-functionμ_(Ω,δ)^(*,ρ)are bounded on two-weight grand homogeneous variable Herz-Mo...In this paper,the authors prove that the parameterized area integralμ_(Ω,S)^(ρ)and the parameterized Littlewood-Paley g_(δ)^(*)-functionμ_(Ω,δ)^(*,ρ)are bounded on two-weight grand homogeneous variable Herz-Morrey spaces MK_(p),θ,q(·))^(α(·),λ)(ω_(1),ω_(2)),where θ>0,λ∈(2,∞),q(·)∈B(R^(n)),α(·)∈L^(∞)(R^(n)),ω_(1)∈A_(p_(ω_(1)))for p_(ω_(1))∈[1,∞]and ω_(2) is a weight.Furthermore,the authors prove that the commutators[b,μ_(Ω,S)^(ρ)]which is formed by b∈BMO(R^(n))and the μ_(Ω,S)^(ρ),and the[b,μ_(Ω,δ)^(*,ρ)]generated by b∈BMO(R^(n))and theμ_(Ω,δ)^(*,ρ)are bounded on MK_(p),θ,q(·))^(α(·),λ)(ω_(1),ω_(2)),respectively.展开更多
Parameterized level-set method(PLSM)has been proposed and developed for many years,and is renowned for its efficacy in ad-dressing topology optimization challenges associated with intricate boundaries and nucleation o...Parameterized level-set method(PLSM)has been proposed and developed for many years,and is renowned for its efficacy in ad-dressing topology optimization challenges associated with intricate boundaries and nucleation of new holes.However,most pertinent investigations in the field rely predominantly on fixed background mesh,which is never remeshed.Consequently,the mesh element partitioned by material interface during the optimization process necessitates approximation by using artificial interpolation models to obtain its element stiffness or other properties.This paper introduces a novel approach to topology op-timization by integrating the PLSM with body-fitted adaptive mesh and Helmholtz-type filter.Primarily,combining the PLSM with body-fitted adaptive mesh enables the regeneration of mesh based on the zero level-set interface.This not only precludes the direct traversal of the material interface through the mesh element during the topology optimization process,but also improves the accuracy of calculation.Additionally,the incorporation of a Helmholtz-type partial differential equation filter,relying solely on mesh information essential for finite element discretization,serves to regulate the topological complexity and the minimum feature size of the optimized structure.Leveraging these advantages,the topology optimization program demonstrates its versa-tility by successfully addressing various design problems,encompassing the minimum mean compliance problem and minimum energy dissipation problem.Ultimately,the result of numerical example indicates that the optimized structure exhibits a dis-tinct and smooth boundary,affirming the effective control over both topological complexity and the minimum feature size of the optimized structure.展开更多
Electrochemical models,characterized by high fidelity and physical interpretability,have been applied in var-ious fields such as fast charging,battery state estimation,and battery material design.Currently,widely util...Electrochemical models,characterized by high fidelity and physical interpretability,have been applied in var-ious fields such as fast charging,battery state estimation,and battery material design.Currently,widely utilized single particle-based model exhibits high computational efficiency but suffers from low simulation accuracy under high-rate charge/discharge conditions.In this work,an electrochemical model for lithium-ion batteries based on multi-particle hypothesis is developed.Two particles are employed to represent the electrode char-acteristics of the positive and negative electrodes,respectively.Through theoretical derivation,mathematical equations are established to describe various processes within the battery,including solid-phase diffusion,li-quidphase diffusion,reaction polarization,and ohmic polarization.In addition,a method for obtaining model parameters is proposed.Finally,the model is experimentally validated by using lithium iron phosphate and nickel-cobalt-manganese lithium-ion batteries under constant current conditions.The identified battery elec-trochemical model parameters are within reasonable accuracy as evidenced by the experimental validation results.展开更多
This study introduces a new ocean surface friction velocity scheme and a modified Thompson cloud microphysics parameterization scheme into the CMA-TYM model.The impact of these two parameterization schemes on the pred...This study introduces a new ocean surface friction velocity scheme and a modified Thompson cloud microphysics parameterization scheme into the CMA-TYM model.The impact of these two parameterization schemes on the prediction of the movement track and intensity of Typhoon Kompasu in 2021 is examined.Additionally,the possible reasons for their effects on tropical cyclone(TC)intensity prediction are analyzed.Statistical results show that both parameterization schemes improve the predictions of Typhoon Kompasu’s track and intensity.The influence on track prediction becomes evident after 60 h of model integration,while the significant positive impact on intensity prediction is observed after 66 h.Further analysis reveals that these two schemes affect the timing and magnitude of extreme TC intensity values by influencing the evolution of the TC’s warm-core structure.展开更多
(Quasi-)closed-form results for the statistical properties of unmanned aerial vehicle(UAV)airto-ground channels are derived for the first time using a novel spatial-vector-based method from a threedimensional(3-D)arbi...(Quasi-)closed-form results for the statistical properties of unmanned aerial vehicle(UAV)airto-ground channels are derived for the first time using a novel spatial-vector-based method from a threedimensional(3-D)arbitrary-elevation one-cylinder model.The derived results include a closed-form expression for the space-time correlation function and some quasi-closed-form ones for the space-Doppler power spectrum density,the level crossing rate,and the average fading duration,which are shown to be the generalizations of those previously obtained from the two-dimensional(2-D)one-ring model and the 3-D low-elevation one-cylinder model for terrestrial mobile-to-mobile channels.The close agreements between the theoretical results and the simulations as well as the measurements validate the utility of the derived channel statistics.Based on the derived expressions,the impacts of some parameters on the channel characteristics are investigated in an effective,efficient,and explicable way,which leads to a general guideline on the manual parameter estimation from the measurement description.展开更多
The Zebiak–Cane(ZC) model, renowned as a coupled ocean-atmosphere model specifically designed to simulate and predict El Ni??o-Southern Oscillation(ENSO), is an indispensable tool for ENSO studies. However, the origi...The Zebiak–Cane(ZC) model, renowned as a coupled ocean-atmosphere model specifically designed to simulate and predict El Ni??o-Southern Oscillation(ENSO), is an indispensable tool for ENSO studies. However, the original ZC model exhibits certain biases in reproducing the ENSO–related sea surface temperature anomalies and heating anomalies, limiting its broader applicability. To improve the accuracy of ENSO simulation, we propose a modified ZC model based on Xie et al.(2015), named the MZC_XJH model, through refining the heating parameterization scheme. The performance in simulating the nonlinear SST–precipitation relationship in the MZC_XJH model is firstly elaborated. Then, we investigate the impacts of three key atmospheric parameters on ENSO simulation by conducting experiments with the MZC_XJH model. Through assessing the performance in simulating five fundamental ENSO metrics(amplitude, periodicity,seasonality, diversity, and skewness), we uncover that the sensitivities of simulated ENSO behaviors to different parameters are distinct. Moreover, we explain why a particular parameter greatly affects some simulated ENSO behaviors while others exert minor influence. We also reveal that the nonlinear effect due to the covariation of multi-parameters on ENSO simulation warrants careful consideration when tuning multi-parameters synchronously. Lastly, we present an updated version of the MZC_XJH model, in which some biases have been mitigated but some remain obvious. Although there are no universally optimal parameters that would ensure flawless performance in simulating every aspect of ENSO, this study provides a valuable reference for tuning atmospheric parameters in the MZC_XJH model, rendering the MZC_XJH model applicable to some research objectives.展开更多
The shale gas development in China faces challenges such as complex reservoir conditions and high development costs.Based on the pore pressure and geostress coupling theory,this paper studies the geostress evolution l...The shale gas development in China faces challenges such as complex reservoir conditions and high development costs.Based on the pore pressure and geostress coupling theory,this paper studies the geostress evolution laws and fracture network characteristics of shale gas infill wells.A mechanism model of CN platform logging data and geomechanical parameters is established to simulate the influence of parent well’s production on the geostress in the infill well area.It is suggested that with the increase of production time,normal fault stress state and horizontal stress deflection will occur.The smaller the parent well spacing and the longer the production time,the earlier the normal fault stress state appears and the larger the range.Based on the model,the fracture network morphology and construction parameters of infill wells are optimized.parentparentparentparent The results indicate that:1:A well spacing of 500 m achieves a Pareto optimum between“full reserve coverage”and“stress barrier”;2:A parent well recovery degree of 30%corresponds to the critical point of stress reversal,where the lateral deflection rate of the infill fracture is less than 8%and the SRV loss is minimized;3:6-cluster intensive completion with twice the liquid intensity increases the fracture complexity index by 1.7 times,enhances well group EUR by 15.4%,and reduces single-well cost by 22%.This research fills the theoretical gap in the collaborative optimization of“multi-parameter,multi-objective and multi-constraint”and provide parameter optimization basis for shale gas infill well development in China and help to improve the development efficiency and economic benefits.展开更多
Load frequency control(LFC)is a critical function to balance the power consumption and generation.Thegrid frequency is a crucial indicator for maintaining balance.However,the widely used information and communication ...Load frequency control(LFC)is a critical function to balance the power consumption and generation.Thegrid frequency is a crucial indicator for maintaining balance.However,the widely used information and communication infrastructure for LFC increases the risk of being attacked by malicious actors.The dynamic load altering attack(DLAA)is a typical attack that can destabilize the power system,causing the grid frequency to deviate fromits nominal value.Therefore,in this paper,we mathematically analyze the impact of DLAA on the stability of the grid frequency and propose the network parameter regulation(NPR)to mitigate the impact.To begin with,the dynamic LFC model is constructed by highlighting the importance of the network parameter.Then,we model the DLAA and analyze its impact on LFC using the theory of second-order dynamic systems.Finally,we model the NPR and prove its effect in mitigating the DLAA.Besides,we construct a least-effort NPR considering its infrastructure cost and aim to reduce the operation cost.Finally,we carry out extensive simulations to demonstrate the impact of the DLAA and evaluate the mitigation performance of NPR.The proposed cost-benefit NPR approach can not only mitigate the impact of DLAA with 100%and also save 41.18$/MWh in terms of the operation cost.展开更多
Laser-assisted drilling combined with full-size polycrystalline diamond compact(PDC)bit is considered a feasible solution to enhance the drilling performance of engineering machinery.In this method,determining the opt...Laser-assisted drilling combined with full-size polycrystalline diamond compact(PDC)bit is considered a feasible solution to enhance the drilling performance of engineering machinery.In this method,determining the optimal collaborative control parameters that support rapid drilling is crucial for improving the combined performance.This study used average drilling speed,average torque,and total specificenergy for quantitative analysis to characterize the efficiencyand economy of combined rock breaking.Given the advantage of the response surface methodology in providing high-precision predictions with limited experimental data,regression models of the average drilling speed,average torque,and total specificenergy were established.The results showed that as the laser power and irradiation time increased,the average drilling speed firstincreased rapidly and then leveled off,while the average torque decreased sharply before decelerating.The total specificenergy initially decreased and then increased,with the combined drilling outperforming conventional mechanical drilling within specific parameter ranges.As the weight on bit increased,both the average torque and total specificenergy first decreased and then increased.With rising rotating speed,the average torque exhibited a trend of initial increase,then decrease,and finalincrease,whereas the total specificenergy increased slowly at firstand then sharply.Both parameters exhibited optimal values at which the average torque and total specific energy remained at minimal levels.For granite combined drilling,the optimal performance was achieved at a laser power of 3000 W,irradiation time of 31 s,the weight on bit of 2.4 kN,and the rotating speed of 97 r/min.展开更多
Accurate parameter extraction of photovoltaic(PV)models plays a critical role in enabling precise performance prediction,optimal system sizing,and effective operational control under diverse environmental conditions.W...Accurate parameter extraction of photovoltaic(PV)models plays a critical role in enabling precise performance prediction,optimal system sizing,and effective operational control under diverse environmental conditions.While a wide range of metaheuristic optimisation techniques have been applied to this problem,many existing methods are hindered by slow convergence rates,susceptibility to premature stagnation,and reduced accuracy when applied to complex multi-diode PV configurations.These limitations can lead to suboptimal modelling,reducing the efficiency of PV system design and operation.In this work,we propose an enhanced hybrid optimisation approach,the modified Spider Wasp Optimization(mSWO)with Opposition-Based Learning algorithm,which integrates the exploration and exploitation capabilities of the Spider Wasp Optimization(SWO)metaheuristic with the diversityenhancing mechanism of Opposition-Based Learning(OBL).The hybridisation is designed to dynamically expand the search space coverage,avoid premature convergence,and improve both convergence speed and precision in highdimensional optimisation tasks.The mSWO algorithm is applied to three well-established PV configurations:the single diode model(SDM),the double diode model(DDM),and the triple diode model(TDM).Real experimental current-voltage(I-V)datasets from a commercial PV module under standard test conditions(STC)are used for evaluation.Comparative analysis is conducted against eighteen advanced metaheuristic algorithms,including BSDE,RLGBO,GWOCS,MFO,EO,TSA,and SCA.Performance metrics include minimum,mean,and maximum root mean square error(RMSE),standard deviation(SD),and convergence behaviour over 30 independent runs.The results reveal that mSWO consistently delivers superior accuracy and robustness across all PV models,achieving the lowest RMSE values of 0.000986022(SDM),0.000982884(DDM),and 0.000982529(TDM),with minimal SD values,indicating remarkable repeatability.Convergence analyses further show that mSWO reaches optimal solutions more rapidly and with fewer oscillations than all competing methods,with the performance gap widening as model complexity increases.These findings demonstrate that mSWO provides a scalable,computationally efficient,and highly reliable framework for PV parameter extraction.Its adaptability to models of growing complexity suggests strong potential for broader applications in renewable energy systems,including performance monitoring,fault detection,and intelligent control,thereby contributing to the optimisation of next-generation solar energy solutions.展开更多
The internal flow fields within a three-dimensional inward-tunning combined inlet are extremely complex,especially during the engine mode transition,where the tunnel changes may impact the flow fields significantly.To...The internal flow fields within a three-dimensional inward-tunning combined inlet are extremely complex,especially during the engine mode transition,where the tunnel changes may impact the flow fields significantly.To develop an efficient flow field reconstruction model for this,we present an Improved Conditional Denoising Diffusion Generative Adversarial Network(ICDDGAN),which integrates Conditional Denoising Diffusion Probabilistic Models(CDDPMs)with Style GAN,and introduce a reconstruction discrimination mechanism and dynamic loss weight learning strategy.We establish the Mach number flow field dataset by numerical simulation at various backpressures for the mode transition process from turbine mode to ejector ramjet mode at Mach number 2.5.The proposed ICDDGAN model,given only sparse parameter information,can rapidly generate high-quality Mach number flow fields without a large number of samples for training.The results show that ICDDGAN is superior to CDDGAN in terms of training convergence and stability.Moreover,the interpolation and extrapolation test results during backpressure conditions show that ICDDGAN can accurately and quickly reconstruct Mach number fields at various tunnel slice shapes,with a Structural Similarity Index Measure(SSIM)of over 0.96 and a Mean-Square Error(MSE)of 0.035%to actual flow fields,reducing time costs by 7-8 orders of magnitude compared to Computational Fluid Dynamics(CFD)calculations.This can provide an efficient means for rapid computation of complex flow fields.展开更多
Aiming at the problems in current cam profile optimization processes, such as simple dynamics models, limited geometric accuracy and low design automatization level, a new dynamic optimization mode is put forward. Bas...Aiming at the problems in current cam profile optimization processes, such as simple dynamics models, limited geometric accuracy and low design automatization level, a new dynamic optimization mode is put forward. Based on the parameterization modeling technique of MSC. ADAMS platform, the different steps in current mode are reorganized, thus obtaining an upgraded mode called the ＂parameterized-prototype-based cam profile dynamic optimization mode＂. A parameterized prototype（PP） of valve mechanism is constructed in the course of dynamic optimization for cam profiles. Practically, by utilizing PP and considering the flexibility of the parts in valve mechanism, geometric accuracy and design automatization are improved.展开更多
This article presents a parameterized configuration modeling approach to develop a 6 degrees of freedom （DOF） rigid-body model for air-breathing hypersonic vehicle （AHV）. The modeling process involves the paramete...This article presents a parameterized configuration modeling approach to develop a 6 degrees of freedom （DOF） rigid-body model for air-breathing hypersonic vehicle （AHV）. The modeling process involves the parameterized configuration design, inviscous hypersonic aerodynamic force calculation and scramjet engine modeling. The parameters are designed for airframe-propulsion integration configuration, the aerodynamic force calculation is based on engineering experimental methods, and the engine model is acquired from gas dynamics and quasi-one dimensional combustor calculations. Multivariate fitting is used to obtain analytical equations for aerodynamic force and thrust. Furthermore, the fitting accuracy is evaluated by relative error （RE）. Trim results show that the model can be applied to the investigation of control method for AHV during the cruise phase. The modeling process integrates several disciplines such as configuration design, aerodynamic calculation, scramjet modeling and control method. Therefore the modeling method makes it possible to conduct AHV aerodynamics/propulsion/control integration design.展开更多
Most of recent research on carbody lightweighting has focused on substitute material and new processing technologies rather than structures. However, new materials and processing techniques inevitably lead to higher c...Most of recent research on carbody lightweighting has focused on substitute material and new processing technologies rather than structures. However, new materials and processing techniques inevitably lead to higher costs. Also, material substitution and processing lightweighting have to be realized through body structural profiles and locations. In the huge conventional workload of lightweight optimization, model modifications involve heavy manual work, and it always leads to a large number of iteration calculations. As a new technique in carbody lightweighting, the implicit parameterization is used to optimize the carbody structure to improve the materials utilization rate in this paper. The implicit parameterized structural modeling enables the use of automatic modification and rapid multidisciplinary design optimization （MDO） in carbody structure, which is impossible in the traditional structure finite element method （FEM） without parameterization. The structural SFE parameterized model is built in accordance with the car structural FE model in concept development stage, and it is validated by some structural performance data. The validated SFE structural parameterized model can be used to generate rapidly and automatically FE model and evaluate different design variables group in the integrated MDO loop. The lightweighting result of body-in-white （BIW） after the optimization rounds reveals that the implicit parameterized model makes automatic MDO feasible and can significantly improve the computational efficiency of carbody structural lightweighting. This paper proposes the integrated method of implicit parameterized model and MDO, which has the obvious practical advantage and industrial significance in the carbody structural lightweighting design.展开更多
Intensive studies have been carried out on generations of waverider geometry and hypersonic inlet geometry. However, integration efforts of waverider and related air-intake system are restricted majorly around the X43...Intensive studies have been carried out on generations of waverider geometry and hypersonic inlet geometry. However, integration efforts of waverider and related air-intake system are restricted majorly around the X43A-like or conical flow field induced configuration, which adopts mainly the two-dimensional air-breathing technology and limits the judicious visions of developing new aerodynamic profiles for hypersonic designers. A novel design approach for integrating the inward turning inlet with the traditional parameterized waverider is proposed. The proposed method is an alternative means to produce a compatible configuration by linking the off-the-shelf results on both traditional waverider techniques and inward turning inlet techniques. A series of geometry generations and optimization solutions is proposed to enhance the lift-to-drag ratio. A quantitative but efficient aerodynamic performance evaluation approach （the hypersonic flow panel method） with lower computational cost is employed to play the role of objective function for opti- mization purpose. The produced geometry compatibility with a computational fluid dynamics （CFD） solver is also verified for detailed flow field investigation. Optimization results and other numerical validations are obtained for the feasibility demonstration of the proposed method.展开更多
In this paper, by applying the technique of the sharp maximal function and the equivalent representation of the norm in the Lebesgue spaces with variable exponent, the boundedness of the parameterized Litflewood-Paley...In this paper, by applying the technique of the sharp maximal function and the equivalent representation of the norm in the Lebesgue spaces with variable exponent, the boundedness of the parameterized Litflewood-Paley operators, including the parameterized Lusin area integrals and the parameterized Littlewood-Paley gλ^＊- functions, is established on the Lebesgue spaces with variable exponent. Furthermore, the boundedness of their commutators generated respectively by BMO functions and Lipschitz functions are also obtained.展开更多
Many interesting characteristics of sea ice drift depend on the atmospheric drag coefficient （Ca） and oceanic drag coefficient （Cw）. Parameterizations of drag coefficients rather than constant values provide us a ...Many interesting characteristics of sea ice drift depend on the atmospheric drag coefficient （Ca） and oceanic drag coefficient （Cw）. Parameterizations of drag coefficients rather than constant values provide us a way to look insight into the dependence of these characteristics on sea ice conditions. In the present study, the parameterized ice drag coefficients are included into a free-drift sea ice dynamic model, and the wind factor a and the deflection angle θ between sea ice drift and wind velocity as well as the ratio of Ca to Cw are studied to investigate their dependence on the impact factors such as local drag coefficients, floe and ridge geometry. The results reveal that in an idealized steady ocean, Ca/Cw increases obviously with the increasing ice concentration for small ice floes in the marginal ice zone, while it remains at a steady level （0.2-0.25） for large floes in the central ice zone. The wind factor a increases rapidly at first and approaches a steady level of 0.018 when A is greater than 20%. And the deflection angle ~ drops rapidly from an initial value of approximate 80° and decreases slowly as A is greater than 20% without a steady level like a. The values of these parameters agree well with the previously reported observations in Arctic. The ridging intensity is an important parameter to determine the dominant contribution of the ratio of skin friction drag coefficient （Cs＇/Cs） and the ratio of ridge form drag coefficient （Cr＇/Cr） to the value of Ca/Cw, a, and 8, because of the dominance of ridge form drag for large ridging intensity and skin friction for small ridging intensity among the total drag forces. Parameterization of sea ice drag coefficients has the potential to be embedded into ice dynamic models to better account for the variability of sea ice in the transient Arctic Ocean.展开更多
基金supported by the Advanced Materials-National Science and Technology Major Project(Grant No.2025ZD0618401)the National Natural Science Foundation of China(Grant No.12504285)+1 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20250472)NFSG grant from BITS-Pilani,Dubai campus。
文摘The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.
文摘The dramatic rise in the number of people living in cities has made many environmental and social problems worse.The search for a productive method for disposing of solid waste is the most notable of these problems.Many scholars have referred to it as a fuzzy multi-attribute or multi-criteria decision-making problem using various fuzzy set-like approaches because of the inclusion of criteria and anticipated ambiguity.The goal of the current study is to use an innovative methodology to address the expected uncertainties in the problem of solid waste site selection.The characteristics(or sub-attributes)that decision-makers select and the degree of approximation they accept for various options can both be indicators of these uncertainties.To tackle these problems,a novel mathematical structure known as the fuzzy parameterized possibility single valued neutrosophic hypersoft expert set(ρˆ-set),which is initially described,is integrated with a modified version of Sanchez’s method.Following this,an intelligent algorithm is suggested.The steps of the suggested algorithm are explained with an example that explains itself.The compatibility of solid waste management sites and systems is discussed,and rankings are established along with detailed justifications for their viability.This study’s strengths lie in its application of fuzzy parameterization and possibility grading to effectively handle the uncertainties embodied in the parameters’nature and alternative approximations,respectively.It uses specific mathematical formulations to compute the fuzzy parameterized degrees and possibility grades that are missing from the prior literature.It is simpler for the decisionmakers to look at each option separately because the decision is uncertain.Comparing the computed results,it is discovered that they are consistent and dependable because of their preferred properties.
基金Supported by the National Natural Science Foundation of China(Grant No.12201500)。
文摘In this paper,the authors prove that the parameterized area integralμ_(Ω,S)^(ρ)and the parameterized Littlewood-Paley g_(δ)^(*)-functionμ_(Ω,δ)^(*,ρ)are bounded on two-weight grand homogeneous variable Herz-Morrey spaces MK_(p),θ,q(·))^(α(·),λ)(ω_(1),ω_(2)),where θ>0,λ∈(2,∞),q(·)∈B(R^(n)),α(·)∈L^(∞)(R^(n)),ω_(1)∈A_(p_(ω_(1)))for p_(ω_(1))∈[1,∞]and ω_(2) is a weight.Furthermore,the authors prove that the commutators[b,μ_(Ω,S)^(ρ)]which is formed by b∈BMO(R^(n))and the μ_(Ω,S)^(ρ),and the[b,μ_(Ω,δ)^(*,ρ)]generated by b∈BMO(R^(n))and theμ_(Ω,δ)^(*,ρ)are bounded on MK_(p),θ,q(·))^(α(·),λ)(ω_(1),ω_(2)),respectively.
基金supported by the National Natural Science Foundation of China(Grant Nos.12372200 and 12072242).
文摘Parameterized level-set method(PLSM)has been proposed and developed for many years,and is renowned for its efficacy in ad-dressing topology optimization challenges associated with intricate boundaries and nucleation of new holes.However,most pertinent investigations in the field rely predominantly on fixed background mesh,which is never remeshed.Consequently,the mesh element partitioned by material interface during the optimization process necessitates approximation by using artificial interpolation models to obtain its element stiffness or other properties.This paper introduces a novel approach to topology op-timization by integrating the PLSM with body-fitted adaptive mesh and Helmholtz-type filter.Primarily,combining the PLSM with body-fitted adaptive mesh enables the regeneration of mesh based on the zero level-set interface.This not only precludes the direct traversal of the material interface through the mesh element during the topology optimization process,but also improves the accuracy of calculation.Additionally,the incorporation of a Helmholtz-type partial differential equation filter,relying solely on mesh information essential for finite element discretization,serves to regulate the topological complexity and the minimum feature size of the optimized structure.Leveraging these advantages,the topology optimization program demonstrates its versa-tility by successfully addressing various design problems,encompassing the minimum mean compliance problem and minimum energy dissipation problem.Ultimately,the result of numerical example indicates that the optimized structure exhibits a dis-tinct and smooth boundary,affirming the effective control over both topological complexity and the minimum feature size of the optimized structure.
基金Supported by the National Natural Science Foundation of China(Grant Nos.52407238,52177210)the Youth Foundation of Shandong Provincial Natural Science Foundation(Grant No.ZR2023QE036).
文摘Electrochemical models,characterized by high fidelity and physical interpretability,have been applied in var-ious fields such as fast charging,battery state estimation,and battery material design.Currently,widely utilized single particle-based model exhibits high computational efficiency but suffers from low simulation accuracy under high-rate charge/discharge conditions.In this work,an electrochemical model for lithium-ion batteries based on multi-particle hypothesis is developed.Two particles are employed to represent the electrode char-acteristics of the positive and negative electrodes,respectively.Through theoretical derivation,mathematical equations are established to describe various processes within the battery,including solid-phase diffusion,li-quidphase diffusion,reaction polarization,and ohmic polarization.In addition,a method for obtaining model parameters is proposed.Finally,the model is experimentally validated by using lithium iron phosphate and nickel-cobalt-manganese lithium-ion batteries under constant current conditions.The identified battery elec-trochemical model parameters are within reasonable accuracy as evidenced by the experimental validation results.
基金supported by the National Key R&D Program of China[grant number 2023YFC3008004]。
文摘This study introduces a new ocean surface friction velocity scheme and a modified Thompson cloud microphysics parameterization scheme into the CMA-TYM model.The impact of these two parameterization schemes on the prediction of the movement track and intensity of Typhoon Kompasu in 2021 is examined.Additionally,the possible reasons for their effects on tropical cyclone(TC)intensity prediction are analyzed.Statistical results show that both parameterization schemes improve the predictions of Typhoon Kompasu’s track and intensity.The influence on track prediction becomes evident after 60 h of model integration,while the significant positive impact on intensity prediction is observed after 66 h.Further analysis reveals that these two schemes affect the timing and magnitude of extreme TC intensity values by influencing the evolution of the TC’s warm-core structure.
基金supported in part by the National Key Research and Development Program of China(2021YFB2900501)in part by the Shaanxi Science and Technology Innovation Team(2023-CX-TD-03)+3 种基金in part by the Science and Technology Program of Shaanxi Province(2021GXLH-Z-038)in part by the Natural Science Foundation of Hunan Province(2023JJ40607 and 2023JJ50045)in part by the Scientific Research Foundation of Hunan Provincial Education Department(23B0713 and 24B0603)in part by the National Natural Science Foundation of China(62401371,62101275,and 62372070).
文摘(Quasi-)closed-form results for the statistical properties of unmanned aerial vehicle(UAV)airto-ground channels are derived for the first time using a novel spatial-vector-based method from a threedimensional(3-D)arbitrary-elevation one-cylinder model.The derived results include a closed-form expression for the space-time correlation function and some quasi-closed-form ones for the space-Doppler power spectrum density,the level crossing rate,and the average fading duration,which are shown to be the generalizations of those previously obtained from the two-dimensional(2-D)one-ring model and the 3-D low-elevation one-cylinder model for terrestrial mobile-to-mobile channels.The close agreements between the theoretical results and the simulations as well as the measurements validate the utility of the derived channel statistics.Based on the derived expressions,the impacts of some parameters on the channel characteristics are investigated in an effective,efficient,and explicable way,which leads to a general guideline on the manual parameter estimation from the measurement description.
基金supported by the National Key Research and Development Program of China (Grant No.2022YFF0802004)the Excellent Youth Natural Science Foundation of Jiangsu Province (BK20230061)+1 种基金the Joint Open Project of KLME&CIC-FEMD (Grant No.KLME202501)Jiangsu Innovation Research Group (Grant No.JSSCTD 202346)。
文摘The Zebiak–Cane(ZC) model, renowned as a coupled ocean-atmosphere model specifically designed to simulate and predict El Ni??o-Southern Oscillation(ENSO), is an indispensable tool for ENSO studies. However, the original ZC model exhibits certain biases in reproducing the ENSO–related sea surface temperature anomalies and heating anomalies, limiting its broader applicability. To improve the accuracy of ENSO simulation, we propose a modified ZC model based on Xie et al.(2015), named the MZC_XJH model, through refining the heating parameterization scheme. The performance in simulating the nonlinear SST–precipitation relationship in the MZC_XJH model is firstly elaborated. Then, we investigate the impacts of three key atmospheric parameters on ENSO simulation by conducting experiments with the MZC_XJH model. Through assessing the performance in simulating five fundamental ENSO metrics(amplitude, periodicity,seasonality, diversity, and skewness), we uncover that the sensitivities of simulated ENSO behaviors to different parameters are distinct. Moreover, we explain why a particular parameter greatly affects some simulated ENSO behaviors while others exert minor influence. We also reveal that the nonlinear effect due to the covariation of multi-parameters on ENSO simulation warrants careful consideration when tuning multi-parameters synchronously. Lastly, we present an updated version of the MZC_XJH model, in which some biases have been mitigated but some remain obvious. Although there are no universally optimal parameters that would ensure flawless performance in simulating every aspect of ENSO, this study provides a valuable reference for tuning atmospheric parameters in the MZC_XJH model, rendering the MZC_XJH model applicable to some research objectives.
文摘The shale gas development in China faces challenges such as complex reservoir conditions and high development costs.Based on the pore pressure and geostress coupling theory,this paper studies the geostress evolution laws and fracture network characteristics of shale gas infill wells.A mechanism model of CN platform logging data and geomechanical parameters is established to simulate the influence of parent well’s production on the geostress in the infill well area.It is suggested that with the increase of production time,normal fault stress state and horizontal stress deflection will occur.The smaller the parent well spacing and the longer the production time,the earlier the normal fault stress state appears and the larger the range.Based on the model,the fracture network morphology and construction parameters of infill wells are optimized.parentparentparentparent The results indicate that:1:A well spacing of 500 m achieves a Pareto optimum between“full reserve coverage”and“stress barrier”;2:A parent well recovery degree of 30%corresponds to the critical point of stress reversal,where the lateral deflection rate of the infill fracture is less than 8%and the SRV loss is minimized;3:6-cluster intensive completion with twice the liquid intensity increases the fracture complexity index by 1.7 times,enhances well group EUR by 15.4%,and reduces single-well cost by 22%.This research fills the theoretical gap in the collaborative optimization of“multi-parameter,multi-objective and multi-constraint”and provide parameter optimization basis for shale gas infill well development in China and help to improve the development efficiency and economic benefits.
基金supported by the project Major Scientific and Technological Special Project of Guizhou Province([2024]014).
文摘Load frequency control(LFC)is a critical function to balance the power consumption and generation.Thegrid frequency is a crucial indicator for maintaining balance.However,the widely used information and communication infrastructure for LFC increases the risk of being attacked by malicious actors.The dynamic load altering attack(DLAA)is a typical attack that can destabilize the power system,causing the grid frequency to deviate fromits nominal value.Therefore,in this paper,we mathematically analyze the impact of DLAA on the stability of the grid frequency and propose the network parameter regulation(NPR)to mitigate the impact.To begin with,the dynamic LFC model is constructed by highlighting the importance of the network parameter.Then,we model the DLAA and analyze its impact on LFC using the theory of second-order dynamic systems.Finally,we model the NPR and prove its effect in mitigating the DLAA.Besides,we construct a least-effort NPR considering its infrastructure cost and aim to reduce the operation cost.Finally,we carry out extensive simulations to demonstrate the impact of the DLAA and evaluate the mitigation performance of NPR.The proposed cost-benefit NPR approach can not only mitigate the impact of DLAA with 100%and also save 41.18$/MWh in terms of the operation cost.
基金funded by the National Natural Science Foundation of China(Grand No.52325904)National Key Research and Development Program of China(Grant No.2023YFB2390200)the National Natural Science Foundation of China(Grant No.52309134).
文摘Laser-assisted drilling combined with full-size polycrystalline diamond compact(PDC)bit is considered a feasible solution to enhance the drilling performance of engineering machinery.In this method,determining the optimal collaborative control parameters that support rapid drilling is crucial for improving the combined performance.This study used average drilling speed,average torque,and total specificenergy for quantitative analysis to characterize the efficiencyand economy of combined rock breaking.Given the advantage of the response surface methodology in providing high-precision predictions with limited experimental data,regression models of the average drilling speed,average torque,and total specificenergy were established.The results showed that as the laser power and irradiation time increased,the average drilling speed firstincreased rapidly and then leveled off,while the average torque decreased sharply before decelerating.The total specificenergy initially decreased and then increased,with the combined drilling outperforming conventional mechanical drilling within specific parameter ranges.As the weight on bit increased,both the average torque and total specificenergy first decreased and then increased.With rising rotating speed,the average torque exhibited a trend of initial increase,then decrease,and finalincrease,whereas the total specificenergy increased slowly at firstand then sharply.Both parameters exhibited optimal values at which the average torque and total specific energy remained at minimal levels.For granite combined drilling,the optimal performance was achieved at a laser power of 3000 W,irradiation time of 31 s,the weight on bit of 2.4 kN,and the rotating speed of 97 r/min.
基金funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number(PNURSP2025R442)Princess Nourah bint Abdulrahman University,Riyadh,Saudi Arabia.
文摘Accurate parameter extraction of photovoltaic(PV)models plays a critical role in enabling precise performance prediction,optimal system sizing,and effective operational control under diverse environmental conditions.While a wide range of metaheuristic optimisation techniques have been applied to this problem,many existing methods are hindered by slow convergence rates,susceptibility to premature stagnation,and reduced accuracy when applied to complex multi-diode PV configurations.These limitations can lead to suboptimal modelling,reducing the efficiency of PV system design and operation.In this work,we propose an enhanced hybrid optimisation approach,the modified Spider Wasp Optimization(mSWO)with Opposition-Based Learning algorithm,which integrates the exploration and exploitation capabilities of the Spider Wasp Optimization(SWO)metaheuristic with the diversityenhancing mechanism of Opposition-Based Learning(OBL).The hybridisation is designed to dynamically expand the search space coverage,avoid premature convergence,and improve both convergence speed and precision in highdimensional optimisation tasks.The mSWO algorithm is applied to three well-established PV configurations:the single diode model(SDM),the double diode model(DDM),and the triple diode model(TDM).Real experimental current-voltage(I-V)datasets from a commercial PV module under standard test conditions(STC)are used for evaluation.Comparative analysis is conducted against eighteen advanced metaheuristic algorithms,including BSDE,RLGBO,GWOCS,MFO,EO,TSA,and SCA.Performance metrics include minimum,mean,and maximum root mean square error(RMSE),standard deviation(SD),and convergence behaviour over 30 independent runs.The results reveal that mSWO consistently delivers superior accuracy and robustness across all PV models,achieving the lowest RMSE values of 0.000986022(SDM),0.000982884(DDM),and 0.000982529(TDM),with minimal SD values,indicating remarkable repeatability.Convergence analyses further show that mSWO reaches optimal solutions more rapidly and with fewer oscillations than all competing methods,with the performance gap widening as model complexity increases.These findings demonstrate that mSWO provides a scalable,computationally efficient,and highly reliable framework for PV parameter extraction.Its adaptability to models of growing complexity suggests strong potential for broader applications in renewable energy systems,including performance monitoring,fault detection,and intelligent control,thereby contributing to the optimisation of next-generation solar energy solutions.
文摘The internal flow fields within a three-dimensional inward-tunning combined inlet are extremely complex,especially during the engine mode transition,where the tunnel changes may impact the flow fields significantly.To develop an efficient flow field reconstruction model for this,we present an Improved Conditional Denoising Diffusion Generative Adversarial Network(ICDDGAN),which integrates Conditional Denoising Diffusion Probabilistic Models(CDDPMs)with Style GAN,and introduce a reconstruction discrimination mechanism and dynamic loss weight learning strategy.We establish the Mach number flow field dataset by numerical simulation at various backpressures for the mode transition process from turbine mode to ejector ramjet mode at Mach number 2.5.The proposed ICDDGAN model,given only sparse parameter information,can rapidly generate high-quality Mach number flow fields without a large number of samples for training.The results show that ICDDGAN is superior to CDDGAN in terms of training convergence and stability.Moreover,the interpolation and extrapolation test results during backpressure conditions show that ICDDGAN can accurately and quickly reconstruct Mach number fields at various tunnel slice shapes,with a Structural Similarity Index Measure(SSIM)of over 0.96 and a Mean-Square Error(MSE)of 0.035%to actual flow fields,reducing time costs by 7-8 orders of magnitude compared to Computational Fluid Dynamics(CFD)calculations.This can provide an efficient means for rapid computation of complex flow fields.
文摘Aiming at the problems in current cam profile optimization processes, such as simple dynamics models, limited geometric accuracy and low design automatization level, a new dynamic optimization mode is put forward. Based on the parameterization modeling technique of MSC. ADAMS platform, the different steps in current mode are reorganized, thus obtaining an upgraded mode called the ＂parameterized-prototype-based cam profile dynamic optimization mode＂. A parameterized prototype（PP） of valve mechanism is constructed in the course of dynamic optimization for cam profiles. Practically, by utilizing PP and considering the flexibility of the parts in valve mechanism, geometric accuracy and design automatization are improved.
基金Aeronautical Science Foundation of China (2008ZA51002)
文摘This article presents a parameterized configuration modeling approach to develop a 6 degrees of freedom （DOF） rigid-body model for air-breathing hypersonic vehicle （AHV）. The modeling process involves the parameterized configuration design, inviscous hypersonic aerodynamic force calculation and scramjet engine modeling. The parameters are designed for airframe-propulsion integration configuration, the aerodynamic force calculation is based on engineering experimental methods, and the engine model is acquired from gas dynamics and quasi-one dimensional combustor calculations. Multivariate fitting is used to obtain analytical equations for aerodynamic force and thrust. Furthermore, the fitting accuracy is evaluated by relative error （RE）. Trim results show that the model can be applied to the investigation of control method for AHV during the cruise phase. The modeling process integrates several disciplines such as configuration design, aerodynamic calculation, scramjet modeling and control method. Therefore the modeling method makes it possible to conduct AHV aerodynamics/propulsion/control integration design.
基金Supported by National Natural Science Foundation of China(Grant No.51175214)Scientific and Technological Planning Project of China(Grant No.2011BAG03B02-1)
文摘Most of recent research on carbody lightweighting has focused on substitute material and new processing technologies rather than structures. However, new materials and processing techniques inevitably lead to higher costs. Also, material substitution and processing lightweighting have to be realized through body structural profiles and locations. In the huge conventional workload of lightweight optimization, model modifications involve heavy manual work, and it always leads to a large number of iteration calculations. As a new technique in carbody lightweighting, the implicit parameterization is used to optimize the carbody structure to improve the materials utilization rate in this paper. The implicit parameterized structural modeling enables the use of automatic modification and rapid multidisciplinary design optimization （MDO） in carbody structure, which is impossible in the traditional structure finite element method （FEM） without parameterization. The structural SFE parameterized model is built in accordance with the car structural FE model in concept development stage, and it is validated by some structural performance data. The validated SFE structural parameterized model can be used to generate rapidly and automatically FE model and evaluate different design variables group in the integrated MDO loop. The lightweighting result of body-in-white （BIW） after the optimization rounds reveals that the implicit parameterized model makes automatic MDO feasible and can significantly improve the computational efficiency of carbody structural lightweighting. This paper proposes the integrated method of implicit parameterized model and MDO, which has the obvious practical advantage and industrial significance in the carbody structural lightweighting design.
基金supported by the National Natural Science Foundation of China (Grant No.61004089)
文摘Intensive studies have been carried out on generations of waverider geometry and hypersonic inlet geometry. However, integration efforts of waverider and related air-intake system are restricted majorly around the X43A-like or conical flow field induced configuration, which adopts mainly the two-dimensional air-breathing technology and limits the judicious visions of developing new aerodynamic profiles for hypersonic designers. A novel design approach for integrating the inward turning inlet with the traditional parameterized waverider is proposed. The proposed method is an alternative means to produce a compatible configuration by linking the off-the-shelf results on both traditional waverider techniques and inward turning inlet techniques. A series of geometry generations and optimization solutions is proposed to enhance the lift-to-drag ratio. A quantitative but efficient aerodynamic performance evaluation approach （the hypersonic flow panel method） with lower computational cost is employed to play the role of objective function for opti- mization purpose. The produced geometry compatibility with a computational fluid dynamics （CFD） solver is also verified for detailed flow field investigation. Optimization results and other numerical validations are obtained for the feasibility demonstration of the proposed method.
基金supported by National Natural Foundation of China (Grant Nos. 11161042 and 11071250)
文摘In this paper, by applying the technique of the sharp maximal function and the equivalent representation of the norm in the Lebesgue spaces with variable exponent, the boundedness of the parameterized Litflewood-Paley operators, including the parameterized Lusin area integrals and the parameterized Littlewood-Paley gλ^＊- functions, is established on the Lebesgue spaces with variable exponent. Furthermore, the boundedness of their commutators generated respectively by BMO functions and Lipschitz functions are also obtained.
基金The National Natural Science Foundation of China under contracts Nos 41276191 and 41306207the Public Science and Technology Research Funds Projects of Ocean under contract No.201205007-05the Global Change Research Program of China under contract No.2015CB953901
文摘Many interesting characteristics of sea ice drift depend on the atmospheric drag coefficient （Ca） and oceanic drag coefficient （Cw）. Parameterizations of drag coefficients rather than constant values provide us a way to look insight into the dependence of these characteristics on sea ice conditions. In the present study, the parameterized ice drag coefficients are included into a free-drift sea ice dynamic model, and the wind factor a and the deflection angle θ between sea ice drift and wind velocity as well as the ratio of Ca to Cw are studied to investigate their dependence on the impact factors such as local drag coefficients, floe and ridge geometry. The results reveal that in an idealized steady ocean, Ca/Cw increases obviously with the increasing ice concentration for small ice floes in the marginal ice zone, while it remains at a steady level （0.2-0.25） for large floes in the central ice zone. The wind factor a increases rapidly at first and approaches a steady level of 0.018 when A is greater than 20%. And the deflection angle ~ drops rapidly from an initial value of approximate 80° and decreases slowly as A is greater than 20% without a steady level like a. The values of these parameters agree well with the previously reported observations in Arctic. The ridging intensity is an important parameter to determine the dominant contribution of the ratio of skin friction drag coefficient （Cs＇/Cs） and the ratio of ridge form drag coefficient （Cr＇/Cr） to the value of Ca/Cw, a, and 8, because of the dominance of ridge form drag for large ridging intensity and skin friction for small ridging intensity among the total drag forces. Parameterization of sea ice drag coefficients has the potential to be embedded into ice dynamic models to better account for the variability of sea ice in the transient Arctic Ocean.
