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.

Post-COVID-19 Challenges for Full-Time Employees in China: Job Insecurity, Workplace Anxiety and Work-Life Conflict

Background:Though the COVID-19 pandemic recedes,and our society gradually returns to normal,Chinese people’s work and lifestyles are still influenced by the“pandemic aftermath”.In the post-pandemic era,employees may feel uncertainty at work due to the changed organizational operations and management and perceive the external environment to be more dynamic.Both these perceptions may increase employees’negative emotions and contribute to conflicts between work and life.Drawing from the ego depletion theory,this study aimed to examine the impact of job insecurity during the post-pandemic era on employees’work-life conflicts,and the mediating effect of workplace anxiety in this relationship.Besides,this study also considered the uncertainty of the external macro environment as a boundary condition on the direct and indirect relationship between job insecurity and work-life conflicts.Methods:A two-wave questionnaire survey was conducted from October to December 2023 to collect data.MBA students and graduates from business school with full-time jobs are invited to report their perception of job insecurity,work anxiety,perceived environment uncertainty,and work-life conflict.This resulted in 253 valid responses.Data analysis was performed using the SPSS,Amos,and PROCESS.Results:The results showed that:(1)Employees’job insecurity would directly intensify the work-life conflict(B=0.275,p<0.001,95%CI[0.182,0.367]).(2)Employees’workplace anxiety mediates the relationship between job insecurity and work-life conflict(B=0.083,p<0.001,95%CI[0.047,0.130]).(3)The mediating effect of workplace anxiety between job insecurity and work-life conflict exists when perceived environmental uncertainty is high(B=0.049,95%CI[0.011,0.114]),while vanishes when perceived environmental uncertainty is low(B=0.024,95%CI[−0.005,0.068]).Conclusion:Job insecurity combined with perceived environmental uncertainty in the postpandemic era fuels employees’workplace anxiety and work-life conflicts.Post-pandemic trauma lingers,necessitating urgent attention and response.

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”.

The Influence of Preschool Teachers’Social Skills on Job Burnout:A Moderated Mediation Model

Background:Teacher burnout is a serious issue in the field of education,particularly in early childhood education,where teachers face high levels of work stress and emotional labor,leading to emotional exhaustion and job burnout.However,past research has not sufficiently explored the mechanisms of social skills,empathy,and mindfulness in mitigating teacher burnout.Therefore,this study aims to investigate the relationship between preschool teachers’social skills,empathy,and mindfulness with job burnout,in order to provide theoretical basis and practical guidance for reducing teacher burnout.Methods:This research utilized a convenience sampling approach to target preschool teachers for a questionnaire survey.A total of 1109 questionnaires were collected.To ensure the quality of the data,we excluded questionnaires that were not carefully filled out in terms of lie scale questions,those with abnormal demographic variables,and outliers identified based on response time.Ultimately,901 valid questionnaires were obtained,achieving a valid response rate of 81.2%.Participants’levels of social skills,empathy,mindfulness,and job burnout were assessed using the Social Skills Scale(SKS),Empathy Scale(Measure of Empathy,ME),Mindful Attention Awareness Scale(MAAS),and the Maslach Burnout Inventory-Educators Survey(MBI-ES),respectively.Data analysis was conducted using SPSS.Results:After controlling for gender,age,teaching experience,educational level,grade taught,and location of the kindergarten,the study found:(1)There is a negative correlation between preschool teachers’social skills and the level of job burnout(r=−0.238);(2)Empathy has a dual-track effect on job burnout,where cognitive empathy negatively affects job burnout(r=−0.245),while emotional empathy has a positive effect(r=0.045);(3)Cognitive empathy partially mediates the relationship between social skills and job burnout(β=−0.124);(4)Mindfulness significantly impacts social skills,cognitive empathy,and job burnout(r=0.278;r=0.286;r=−0.539),and plays a moderating role in the mediation model(β=0.003;β=−0.023).Conclusion:These findings provide theoretical support for the development of burnout prevention and intervention strategies targeted at preschool teachers.They also point out new directions for future research and potential intervention targets,suggesting that enhancing preschool teachers’social skills and cognitive empathy,as well as increasing their mindfulness level,can help them cope with work-related stress and emotional labor,thereby alleviating job burnout.

Strengthened Dominance Relation NSGA-Ⅲ Algorithm Based on Differential Evolution to Solve Job Shop Scheduling Problem

The job shop scheduling problem is a classical combinatorial optimization challenge frequently encountered in manufacturing systems.It involves determining the optimal execution sequences for a set of jobs on various machines to maximize production efficiency and meet multiple objectives.The Non-dominated Sorting Genetic Algorithm Ⅲ(NSGA-Ⅲ)is an effective approach for solving the multi-objective job shop scheduling problem.Nevertheless,it has some limitations in solving scheduling problems,including inadequate global search capability,susceptibility to premature convergence,and challenges in balancing convergence and diversity.To enhance its performance,this paper introduces a strengthened dominance relation NSGA-Ⅲ algorithm based on differential evolution(NSGA-Ⅲ-SD).By incorporating constrained differential evolution and simulated binary crossover genetic operators,this algorithm effectively improves NSGA-Ⅲ’s global search capability while mitigating pre-mature convergence issues.Furthermore,it introduces a reinforced dominance relation to address the trade-off between convergence and diversity in NSGA-Ⅲ.Additionally,effective encoding and decoding methods for discrete job shop scheduling are proposed,which can improve the overall performance of the algorithm without complex computation.To validate the algorithm’s effectiveness,NSGA-Ⅲ-SD is extensively compared with other advanced multi-objective optimization algorithms using 20 job shop scheduling test instances.The experimental results demonstrate that NSGA-Ⅲ-SD achieves better solution quality and diversity,proving its effectiveness in solving the multi-objective job shop scheduling problem.

The Emergence of Loving Pedagogy in the L2 Affective Domain:How Affective Pedagogy Accounts for Chinese EFL Teachers’Professional Success and Job Satisfaction?

The success of teachers in professional environments has a desirable influence on their mental condition.Simply said,teachers’professional success plays a crucial role in improving their mental health.Due to the invaluable role of professional success in teachers’mental health,personal and professional variables helping teachers succeed in their profession need to be uncovered.While the role of teachers’personal qualities has been well researched,the function of professional variables has remained unknown.To address the existing gap,the current investigation measured the role of two professional variables,namely job satisfaction and loving pedagogy,in Chinese EFL teachers’professional success.To do this,three validated scales were provided to 1591 Chinese EFL teachers.Participants’answers to the questionnaires were analyzed using the Spearman correlation test and structural equation modeling.The data analysis demonstrated a strong,positive link between the variables.Moreover,loving pedagogy was found to be the positive,strong predictor of Chinese EFL teachers’job satisfaction and professional success.The findings of the current inquiry may help educational administrators enhance their instructors’professional success,which in turn promotes their mental and psychological conditions at work.

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.

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.

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.

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.

Local thermal conductivity of inhomogeneous nano-fluidic films:A density functional theory perspective

Combining the mean field Pozhar-Gubbins(PG)theory and the weighted density approximation,a novel method for local thermal conductivity of inhomogeneous fluids is proposed.The correlation effect that is beyond the mean field treatment is taken into account by the simulation-based empirical correlations.The application of this method to confined argon in slit pore shows that its prediction agrees well with the simulation results,and that it performs better than the original PG theory as well as the local averaged density model(LADM).In its further application to the nano-fluidic films,the influences of fluid parameters and pore parameters on the thermal conductivity are calculated and investigated.It is found that both the local thermal conductivity and the overall thermal conductivity can be significantly modulated by these parameters.Specifically,in the supercritical states,the thermal conductivity of the confined fluid shows positive correlation to the bulk density as well as the temperature.However,when the bulk density is small,the thermal conductivity exhibits a decrease-increase transition as the temperature is increased.This is also the case in which the temperature is low.In fact,the decrease-increase transition in both the small-bulk-density and low-temperature cases arises from the capillary condensation in the pore.Furthermore,smaller pore width and/or stronger adsorption potential can raise the critical temperature for condensation,and then are beneficial to the enhancement of the thermal conductivity.These modulation behaviors of the local thermal conductivity lead immediately to the significant difference of the overall thermal conductivity in different phase regions.

The “Dead Universe” Theory: Natural Separation of Galaxies Driven by the Remnants of a Supermassive Dead Universe

This article explores the dead universe theory as a novel interpretation for the origin and evolution of the universe, suggesting that our cosmos may have originated from the remnants of a preceding universe. This perspective challenges the conventional Big Bang theory, particularly concerning dark matter, the expansion of the universe, and the interpretation of phenomena such as gravitational waves.

Argа-Bilig theory in traditional Mongolian medicine:a theoretical and practical perspective

The concept of Arga and Bilig serves as a foundational principle in both ancient Mongolian philosophy and traditional Mongolian medicine (TMM). Arga, symbolized by brightness and associated with qualities of fire and activity, complements Bilig, symbolized by darkness and representing attributes of water and stillness. Together, these opposing forces permeate all aspects of existence, from the genesis of parenthood to the interplay of day and night. Understanding Arga-Bilig is crucial for diagnosing and treating diseases, as it illuminates the source of imbalance within the body. This review provides an overview of the significance of Arga-Bilig in Mongolian philosophy and its application in TMM, emphasizing the dynamic interplay of these opposing forces and their role in maintaining balance and harmony within the body.

Comparative study on phase transition behaviors of fractional molecular field theory and random-site Ising model

Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to verify the feasibility of this theory,this paper fits it to the Monte Carlo simulations of specific heat and susceptibility versus temperature of two-dimensional(2D)random-site Ising model(2D-RSIM).The results indicate that the FMFT deviates from the 2D-RSIM significantly.The main reason for the deviation is that the 2D-RSIM is a typical system of component random distribution,where the real order parameter is spatially heterogeneous and has no symmetry of space translation,but the basic assumption of FMFT means that the parameter is spatially uniform and has symmetry of space translation.

Foundations of the Scale-Symmetric Theory and the Illusory Total Width of the Off-Shell Higgs Bosons

Here we present the foundations of the Scale-Symmetric Theory (SST), i.e. the fundamental phase transitions of the initial inflation field, the atom-like structure of baryons and different types of black holes. Within SST we show that the transition from the nuclear strong interactions in the off-shell Higgs boson production to the nuclear weak interactions causes that the real total width of the Higgs boson from the Higgs line shape (i.e. 3.3 GeV) decreases to 4.3 MeV that is the illusory total width. Moreover, there appear some glueballs/condensates with the energy 3.3 GeV that accompany the production of the off-shell Higgs bosons.

The Fate of Supersymmetry in Quantum Field Theories

We analyze the significance of supersymmetry in two topological models and the standard model (SM). We conclude that the two topological field theory models favor hidden supersymmetry. The SM superpartners, instead, have not been found.