Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures.However,stochastic density functional theory(SDFT)can overcome this limitation.Recently,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[Q.Liu and M.Chen,Phys.Rev.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 eV.Importantly,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long trajectories.Subsequently,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.

Transient response of doubly-curved bio-inspired composite shells resting on viscoelastic foundation subject to blast load using improved first-order shear theory and isogeometric approach

Investigating natural-inspired applications is a perennially appealing subject for scientists. The current increase in the speed of natural-origin structure growth may be linked to their superior mechanical properties and environmental resilience. Biological composite structures with helicoidal schemes and designs have remarkable capacities to absorb impact energy and withstand damage. However, there is a dearth of extensive study on the influence of fiber redirection and reorientation inside the matrix of a helicoid structure on its mechanical performance and reactivity. The present study aimed to explore the static and transient responses of a bio-inspired helicoid laminated composite(B-iHLC) shell under the influence of an explosive load using an isomorphic method. The structural integrity of the shell is maintained by a viscoelastic basis known as the Pasternak foundation, which encompasses two coefficients of stiffness and one coefficient of damping. The equilibrium equations governing shell dynamics are obtained by using Hamilton's principle and including the modified first-order shear theory,therefore obviating the need to employ a shear correction factor. The paper's model and approach are validated by doing numerical comparisons with respected publications. The findings of this study may be used in the construction of military and civilian infrastructure in situations when the structure is subjected to severe stresses that might potentially result in catastrophic collapse. The findings of this paper serve as the foundation for several other issues, including geometric optimization and the dynamic response of similar mechanical structures.

A Data Intrusion Tolerance Model Based on an Improved Evolutionary Game Theory for the Energy Internet

Malicious attacks against data are unavoidable in the interconnected,open and shared Energy Internet(EI),Intrusion tolerant techniques are critical to the data security of EI.Existing intrusion tolerant techniques suffered from problems such as low adaptability,policy lag,and difficulty in determining the degree of tolerance.To address these issues,we propose a novel adaptive intrusion tolerance model based on game theory that enjoys two-fold ideas:(1)it constructs an improved replica of the intrusion tolerance model of the dynamic equation evolution game to induce incentive weights;and (2)it combines a tournament competition model with incentive weights to obtain optimal strategies for each stage of the game process.Extensive experiments are conducted in the IEEE 39-bus system,whose results demonstrate the feasibility of the incentive weights,confirm the proposed strategy strengthens the system’s ability to tolerate aggression,and improves the dynamic adaptability and response efficiency of the aggression-tolerant system in the case of limited resources.

Timing theory integrated nursing combined behavior change integrated theory of nursing on primiparous influence

BACKGROUND The comprehension and utilization of timing theory and behavior change can offer a more extensive and individualized provision of support and treatment alternatives for primipara.This has the potential to enhance the psychological well-being and overall quality of life for primipara,while also furnishing healthcare providers with efficacious interventions to tackle the psychological and physiological obstacles encountered during the stages of pregnancy and postpartum.AIM To explore the effect of timing theory combined with behavior change on selfefficacy,negative emotions and quality of life in patients with primipara.METHODS A total of 80 primipara cases were selected and admitted to our hospital between August 2020 and May 2022.These cases were divided into two groups,namely the observation group and the control group,with 40 cases in each group.The nursing interventions differed between the two groups,with the control group receiving routine nursing and the observation group receiving integrated nursing based on the timing theory and behavior change.The study aimed to compare the pre-and post-nursing scores of Chinese Perceived Stress Scale(CPSS),Edinburgh Postpartum Depression Scale(EPDS),Self-rating Anxiety Scale(SAS),breast milk knowledge,self-efficacy,and SF-36 quality of life in both groups.RESULTS After nursing,the CPSS,EPDS,and SAS scores of the two groups was significantly lower than that before nursing,and the CPSS,EPDS,and SAS scores of the observation group was significantly lower than that of the control group(P=0.002,P=0.011,and P=0.001 respectively).After nursing,the breastfeeding knowledge mastery,selfefficacy,and SF-36 quality of life scores was significantly higher than that before nursing,and the breastfeeding knowledge mastery(P=0.013),self-efficacy(P=0.008),and SF-36 quality of life(P=0.011)scores of the observation group was significantly higher than that of the control group.CONCLUSION The integration of timing theory and behavior change integrated theory has been found to be an effective approach in alleviating negative mood and stress experienced by primipara individuals,while also enhancing their selfefficacy and overall quality of life.This study focuses on the key concepts of timing theory,behavior change,primipara individuals,negative mood,and quality of life.

Enhancing the resolution of sparse rock property measurements using machine learning and random field theory

The travel time of rock compressional waves is an essential parameter used for estimating important rock properties,such as porosity,permeability,and lithology.Current methods,like wireline logging tests,provide broad measurements but lack finer resolution.Laboratory-based rock core measurements offer higher resolution but are resource-intensive.Conventionally,wireline logging and rock core measurements have been used independently.This study introduces a novel approach that integrates both data sources.The method leverages the detailed features from limited core data to enhance the resolution of wireline logging data.By combining machine learning with random field theory,the method allows for probabilistic predictions in regions with sparse data sampling.In this framework,12 parameters from wireline tests are used to predict trends in rock core data.The residuals are modeled using random field theory.The outcomes are high-resolution predictions that combine both the predicted trend and the probabilistic realizations of the residual.By utilizing unconditional and conditional random field theories,this method enables unconditional and conditional simulations of the underlying high-resolution rock compressional wave travel time profile and provides uncertainty estimates.This integrated approach optimizes the use of existing core and logging data.Its applicability is confirmed in an oil project in West China.

Optimization of Agricultural Industrial Structure in Changping District of Beijing Based on Grey Relational Analysis

In the economic development of Beijing,although the share of the total amount of agricultural industry in the overall economy is relatively low,it has an important impact on the daily life of residents,social stability and the development of other industries.Changping District,as an important agricultural production base of Beijing,its agricultural development has an indispensable strategic significance for the stability and growth of the entire regional economy.Therefore,it is very important to study the structure of agricultural industry in Changping District.Based on the detailed analysis of the agricultural industrial structure of Changping District,this paper uses the grey relation theory to analyze the different industries in the agricultural industrial structure of Changping District,including planting,forestry,animal husbandry,fishery and agricultural,forestry,service industries,in order to reveal the impact of these industries on the agricultural industrial structure of Changping District.Through this study,it comes up with specific and feasible suggestions for the optimization of agricultural industrial structure in Changping District,and provides valuable reference for the agricultural development of other areas in Beijing.

Significant genomic introgression from grey junglefowl(Gallus sonneratii)to domestic chickens(Gallus gallus domesticus)

Background Chicken is one of the most numerous and widely distributed species around the world,and many studies support the multiple ancestral origins of domestic chickens.The research regarding the yellow skin phenotype in domestic chickens(regulated by BCO2)likely originating from the grey junglefowl serves as crucial evidence for demonstrating the multiple origins of chickens.However,beyond the BCO2 gene region,much remains unknown about the introgression from the grey junglefowl into domestic chickens.Therefore,in this study,based on wholegenome data of 149 samples including 4 species of wild junglefowls and 13 local domestic chicken breeds,we explored the introgression events from the grey junglefowl to domestic chickens.Results We successfully detected introgression regions besides BCO2,including two associated with growth trait(IGFBP2 and TKT),one associated with angiogenesis(TIMP3)and two members of the heat shock protein family(HSPB2 and CRYAB).Our findings suggest that the introgression from the grey junglefowl may impact the growth performance of chickens.Furthermore,we revealed introgression events from grey junglefowl at the BCO2 region in multiple domestic chicken breeds,indicating a phenomenon where the yellow skin phenotype likely underwent strong selection and was retained.Additionally,our haplotype analysis shed light on BCO2 introgression event from different sources of grey junglefowl into domestic chickens,possibly suggesting multiple genetic flows between the grey junglefowl and domestic chickens.Conclusions In summary,our findings provide evidences of the grey junglefowl contributing to the genetic diversity of domestic chickens,laying the foundation for a deeper understanding of the genetic composition within domestic chickens,and offering new perspectives on the impact of introgression on domestic chickens.

Case Retrieval Strategy of Turning Process Based on Grey Relational Analysis

To solve the problem of long response time when users obtain suitable cutting parameters through the Internet based platform,a case-based reasoning framework is proposed.Specifically,a Hamming distance and Euclidean distance combined method is designed to measure the similarity of case features which have both numeric and category properties.In addition,AHP(Analytic Hierarchy Process)and entropy weight method are integrated to provide features weight,where both user preferences and comprehensive impact of the index have been concerned.Grey relation analysis is used to obtain the similarity of a new problem and alternative cases.Finally,a platform is also developed on Visual Studio 2015,and a case study is demonstrated to verify the practicality and efficiency of the proposed method.This method can obtain cutting parameters which is suitable without iterative calculation.Compared with the traditional PSO(Particle swarm optimization algorithm)and GA(Genetic algorithm),it can obtain faster response speed.This method can provide ideas for selecting processing parameters in industrial production.While guaranteeing the characteristic information is similar,this approach can select processing parameters which is the most appropriate for the production process and a lot of time can be saved.

Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory

We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.

Intelligent Transformation: General Intelligence Theory

This paper aims to formalize a general definition of intelligence beyond human intelligence. We accomplish this by re-imagining the concept of equality as a fundamental abstraction for relation. We discover that the concept of equality = limits the sensitivity of our mathematics to abstract relationships. We propose a new relation principle that does not rely on the concept of equality but is consistent with existing mathematical abstractions. In essence, this paper proposes a conceptual framework for general interaction and argues that this framework is also an abstraction that satisfies the definition of Intelligence. Hence, we define intelligence as a formalization of generality, represented by the abstraction ∆∞Ο, where each symbol represents the concepts infinitesimal, infinite, and finite respectively. In essence, this paper proposes a General Language Model (GLM), where the abstraction ∆∞Ο represents the foundational relationship of the model. This relation is colloquially termed “The theory of everything”.

Enhancing Hyper-Spectral Image Classification with Reinforcement Learning and Advanced Multi-Objective Binary Grey Wolf Optimization

Hyperspectral(HS)image classification plays a crucial role in numerous areas including remote sensing(RS),agriculture,and the monitoring of the environment.Optimal band selection in HS images is crucial for improving the efficiency and accuracy of image classification.This process involves selecting the most informative spectral bands,which leads to a reduction in data volume.Focusing on these key bands also enhances the accuracy of classification algorithms,as redundant or irrelevant bands,which can introduce noise and lower model performance,are excluded.In this paper,we propose an approach for HS image classification using deep Q learning(DQL)and a novel multi-objective binary grey wolf optimizer(MOBGWO).We investigate the MOBGWO for optimal band selection to further enhance the accuracy of HS image classification.In the suggested MOBGWO,a new sigmoid function is introduced as a transfer function to modify the wolves’position.The primary objective of this classification is to reduce the number of bands while maximizing classification accuracy.To evaluate the effectiveness of our approach,we conducted experiments on publicly available HS image datasets,including Pavia University,Washington Mall,and Indian Pines datasets.We compared the performance of our proposed method with several state-of-the-art deep learning(DL)and machine learning(ML)algorithms,including long short-term memory(LSTM),deep neural network(DNN),recurrent neural network(RNN),support vector machine(SVM),and random forest(RF).Our experimental results demonstrate that the Hybrid MOBGWO-DQL significantly improves classification accuracy compared to traditional optimization and DL techniques.MOBGWO-DQL shows greater accuracy in classifying most categories in both datasets used.For the Indian Pine dataset,the MOBGWO-DQL architecture achieved a kappa coefficient(KC)of 97.68%and an overall accuracy(OA)of 94.32%.This was accompanied by the lowest root mean square error(RMSE)of 0.94,indicating very precise predictions with minimal error.In the case of the Pavia University dataset,the MOBGWO-DQL model demonstrated outstanding performance with the highest KC of 98.72%and an impressive OA of 96.01%.It also recorded the lowest RMSE at 0.63,reinforcing its accuracy in predictions.The results clearly demonstrate that the proposed MOBGWO-DQL architecture not only reaches a highly accurate model more quickly but also maintains superior performance throughout the training process.

Management of Strawberry Grey Mold Disease Using Biocontrol Agents and Plant Extracts

Strawberry (Fragaria × ananassa Duch.) is a significant global soft fruit crop, prized for its nutrient content and pleasant flavor. However, diseases, particularly grey mold caused by Botrytis cinerea Pers. Fr. poses major constraints to strawberry production and productivity. Grey mold severely impacts fruit quality and quantity, diminishing market value. This study evaluated five B. cinerea isolates from various locations in the Ri-Bhoi district of Meghalaya. All isolates were pathogenic, with isolate SGM 2 identified as highly virulent. Host range studies showed the pathogen-producing symptoms in the fava bean pods, marigold, gerbera, and chrysanthemum flowers and in the fava bean, gerbera, and lettuce leaves. In vitro tests revealed that neem extract (15% w/v) achieved the highest mycelial growth inhibition at 76.66%, while black turmeric extract (5% w/v) had the lowest inhibition at 9.62%. Dual culture methods with bio-control agents indicated that Bacillus subtilis recorded the highest mean inhibition at 77.03%, while Pseudomonas fluorescens had the lowest at 20.36% against the two virulent isolates. Pot evaluations demonstrated that B. subtilis resulted in the lowest percent disease index at 20.59%, followed by neem extract at 23.31%, with the highest disease index in the control group at 42.51%. Additionally, B. subtilis significantly improved plant growth, yielding an average of 0.32 kg compared to 0.14 kg in the control. The promising results of B. subtilis and neem leaf extract from this study suggest their potential for eco-friendly managing grey mold in strawberries under field conditions.

Contract Mechanism of Water Environment Regulation for Small and Medium Sized Enterprises Based on Optimal Control Theory

The small and scattered enterprise pattern in the county economy has formed numerous sporadic pollution sources, hindering the centralized treatment of the water environment, increasing the cost and difficulty of treatment. How enterprises can make reasonable decisions on their water environment behavior based on the external environment and their own factors is of great significance for scientifically and effectively designing water environment regulation mechanisms. Based on optimal control theory, this study investigates the design of contractual mechanisms for water environmental regulation for small and medium-sized enterprises. The enterprise is regarded as an independent economic entity that can adopt optimal control strategies to maximize its own interests. Based on the participation of multiple subjects including the government, enterprises, and the public, an optimal control strategy model for enterprises under contractual water environmental regulation is constructed using optimal control theory, and a method for calculating the amount of unit pollutant penalties is derived. The water pollutant treatment cost data of a paper company is selected to conduct empirical numerical analysis on the model. The results show that the increase in the probability of government regulation and public participation, as well as the decrease in local government protection for enterprises, can achieve the same regulatory effect while reducing the number of administrative penalties per unit. Finally, the implementation process of contractual water environmental regulation for small and medium-sized enterprises is designed.

A Function-Aware Mimic Defense Theory and Its Practice

In recent years,network attacks have been characterized by diversification and scale,which indicates a requirement for defense strategies to sacrifice generalizability for higher security.As the latest theoretical achievement in active defense,mimic defense demonstrates high robustness against complex attacks.This study proposes a Function-aware,Bayesian adjudication,and Adaptive updating Mimic Defense(FBAMD)theory for addressing the current problems of existing work including limited ability to resist unknown threats,imprecise heterogeneous metrics,and over-reliance on relatively-correct axiom.FBAMD incorporates three critical steps.Firstly,the common features of executors’vulnerabilities are obtained from the perspective of the functional implementation(i.e,input-output relationships extraction).Secondly,a new adjudication mechanism considering Bayes’theory is proposed by leveraging the advantages of both current results and historical confidence.Furthermore,posterior confidence can be updated regularly with prior adjudication information,which provides mimic system adaptability.The experimental analysis shows that FBAMD exhibits the best performance in the face of different types of attacks compared to the state-of-the-art over real-world datasets.This study presents a promising step toward the theo-retical innovation of mimic defense.

Energy-Saving Distributed Flexible Job Shop Scheduling Optimization with Dual Resource Constraints Based on Integrated Q-Learning Multi-Objective Grey Wolf Optimizer

The distributed flexible job shop scheduling problem(DFJSP)has attracted great attention with the growth of the global manufacturing industry.General DFJSP research only considers machine constraints and ignores worker constraints.As one critical factor of production,effective utilization of worker resources can increase productivity.Meanwhile,energy consumption is a growing concern due to the increasingly serious environmental issues.Therefore,the distributed flexible job shop scheduling problem with dual resource constraints(DFJSP-DRC)for minimizing makespan and total energy consumption is studied in this paper.To solve the problem,we present a multi-objective mathematical model for DFJSP-DRC and propose a Q-learning-based multi-objective grey wolf optimizer(Q-MOGWO).In Q-MOGWO,high-quality initial solutions are generated by a hybrid initialization strategy,and an improved active decoding strategy is designed to obtain the scheduling schemes.To further enhance the local search capability and expand the solution space,two wolf predation strategies and three critical factory neighborhood structures based on Q-learning are proposed.These strategies and structures enable Q-MOGWO to explore the solution space more efficiently and thus find better Pareto solutions.The effectiveness of Q-MOGWO in addressing DFJSP-DRC is verified through comparison with four algorithms using 45 instances.The results reveal that Q-MOGWO outperforms comparison algorithms in terms of solution quality.

Functional microfluidics:theory,microfabrication,and applications

Microfluidic devices are composed of microchannels with a diameter ranging from ten to a few hundred micrometers.Thus,quite a small(10-9–10-18l)amount of liquid can be manipulated by such a precise system.In the past three decades,significant progress in materials science,microfabrication,and various applications has boosted the development of promising functional microfluidic devices.In this review,the recent progress on novel microfluidic devices with various functions and applications is presented.First,the theory and numerical methods for studying the performance of microfluidic devices are briefly introduced.Then,materials and fabrication methods of functional microfluidic devices are summarized.Next,the recent significant advances in applications of microfluidic devices are highlighted,including heat sinks,clean water production,chemical reactions,sensors,biomedicine,capillaric circuits,wearable electronic devices,and microrobotics.Finally,perspectives on the challenges and future developments of functional microfluidic devices are presented.This review aims to inspire researchers from various fields engineering,materials,chemistry,mathematics,physics,and more—to collaborate and drive forward the development and applications of functional microfluidic devices,specifically for achieving carbon neutrality.

Game theory attack pricing for mining pools in blockchain-based IoT

The malicious mining pool can sacrifice part of its revenue to employ the computing power of blockchain network.The employed computing power carries out the pool mining attacks on the attacked mining pool.To realize the win-win game between the malicious mining pool and the employee,the paper proposes an Employment Attack Pricing Algorithm(EAPA)of mining pools in blockchain based on game theory.In the EAPA,the paper uses mathematical formulas to express the revenue of malicious mining pools under the employment attack,the revenue increment of malicious mining pools,and the revenue of the employee.It establishes a game model between the malicious mining pool and the employee under the employment attack.Then,the paper proposes an optimal computing power price selection strategy of employment attack based on model derivation.In the strategy,the malicious mining pool analyzes the conditions for the employment attack,and uses the derivative method to find the optimal utilization value of computing power,employees analyze the conditions for accepting employment,and use the derivative method to find the optimal reward value of computing power.Finally,the strategy finds the optimal employment computing power price to realize Nash equilibrium between the malicious mining pool and the employee under the current computing power allocation.The simulation results show that the EAPA could find the employment computing power price that realizes the win-win game between the malicious mining pool and the employee.The EAPA also maximizes the unit computing power revenue of employment and the unit computing power revenue of honest mining in malicious mining pool at the same time.The EAPA outperforms the state-of-the-art methods such as SPSUCP,DPSACP,and FPSUCP.

Optimized numerical density functional theory calculation of rotationally symmetric jellium model systems

In real space density functional theory calculations,the effective potential depends on the electron density,requiring self-consistent iterations,and numerous integrals at each step,making the process time-consuming.In our research,we propose an optimization method to expedite density functional theory(DFT)calculations for systems with large aspect ratios,such as metallic nanorods,nanowires,or scanning tunneling microscope tips.This method focuses on employing basis set to expand the electron density,Coulomb potential,and exchange-correlation potential.By precomputing integrals and caching redundant results,this expansion streamlines the integration process,significantly accelerating DFT computations.As a case study,we have applied this optimization to metallic nanorod systems of various radii and lengths,obtaining corresponding ground-state electron densities and potentials.

Prospect Theory Based Individual Irrationality Modelling and Behavior Inducement in Pandemic Control

Understanding and modeling individuals’behaviors during epidemics is crucial for effective epidemic control.However,existing research ignores the impact of users’irrationality on decision-making in the epidemic.Meanwhile,existing disease control methods often assume users’full compliance with measures like mandatory isolation,which does not align with the actual situation.To address these issues,this paper proposes a prospect theorybased framework to model users’decision-making process in epidemics and analyzes how irrationality affects individuals’behaviors and epidemic dynamics.According to the analysis results,irrationality tends to prompt conservative behaviors when the infection risk is low but encourages risk-seeking behaviors when the risk is high.Then,this paper proposes a behavior inducement algorithm to guide individuals’behaviors and control the spread of disease.Simulations and real user tests validate our analysis,and simulation results show that the proposed behavior inducement algorithm can effectively guide individuals’behavior.

Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds

Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion batteries.In this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur compounds.Results showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface activity.Notably,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped systems.In addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents.