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.

How Sense of Ritual in Tourism Impacts Tourists’Co-Creation of Tourism Experience Values:A Study Based on the Theory of Value Co-Creation

Establishing a sense of ritual within tourism consumption scenarios offers tourists the opportunity for interactive engagement.Drawing upon the value co-creation theory,this study constructed an influence mechanism model to examine tourists'active engagement in the process of co-creating tourism experience values.It employed Partial Least Squares Structural Equation Modeling(PLS-SEM)to empirically test the proposed hypotheses.The findings demonstrate that the model constructed in the present study exhibits robust reliability,validity,and explanatory power.The perception of the sense of ritual in tourism exerts a significant positive influence on tourists’co-creation of tourism experience values,thereby significantly enhancing both the communitas and flow experienced by tourists during their travels.Moreover,such communitas and flow can mediate the influence of the sense of ritual in tourism on tourists’co-creation of tourism experience values.This study contributes to advancing the current research on tourists’co-creation of tourism experience values and the sense of ritual in tourism,thereby providing theoretical foundations for cultivating a sense of ritual within tourism consumption scenarios.

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 “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.

The Substructure of Elementary Particles Demonstrated by the I-Theory

Present studies in physics assume that elementary particles are the building blocks of all matter, and that they are zero-dimensional objects which do not occupy space. The new I-Theory predicts that elementary particles do indeed have a substructure, three dimensions, and occupy space, being composed of fundamental particles called I-particles. In this article we identify the substructural pattern of elementary particles and define the quanta of energy that form each elementary particle. We demonstrate that the substructure comprises two classes of quanta which we call “attraction quanta” and “repulsion quanta”. We create a model that defines the rest-mass energy of each elementary particle and can predict new particles. Lastly, in order to incorporate this knowledge into the contemporary models of science, a revised periodic table is proposed.

The Axiology of Consciousness in Mocombeian Consciousness Field Theory

This work explores the axiology of consciousness in Mocombe’s consciousness field in the material world.The paper critically assesses Mocombe’s consciousness field theory(CFT)within the larger body of contemporary ontological debates regarding the nature,origin,and constitution of consciousness in the universe.The work goes on to highlight the manifestation of Mocombe’s consciousness field in the material resource framework that is the earth,and the nature and origins of ethics and values.

Impact of applying the theory of human becoming and self-care deficit theory of nursing on insomnia in after stroke urinary incontinence patients

Objective:To determine the impact of applying the theory of human becoming and self-care deficit theory of nursing in overcoming insomnia in patients of urinary incontinence(UI)after stroke.Insomnia is a sleep disorder experienced by UI patients after stroke which can exacerbate problems related to brain damage and can complicate the recovery process.Methods:This study was a quasi-experimental conducted in 4 hospitals.Fifty-six patients were selected by convenience sampling and divided into 2 groups(the intervention and control group).Participants in the intervention group received“applying the theory of Human becoming and self-care deficit theory of nursing,”starting when the patient is about to go home from the hospital and continuing at the house.Measurement of insomnia is done using the Pittsburgh Sleep Quality Index(PSQI).Results:The mean insomnia scores of participants from both groups increased in the first and third measurements.The second and third insomnia measurements found a significant difference(P<0.001).This intervention decreased the average score of insomnia by 4.11 times in the second measurement and 5.82 times in the third measurement.The most important item that decreased in the third measurement of insomnia was sleep efficiency.Conclusions:Applying the theory of human becoming and self-care deficit theory of nursing in this study significantly decreased the insomnia score of post-stroke UI patients.It can be used as a guide for nurses,patients,and families in managing insomnia.In addition,the application of nursing theory in nursing practice can systematize nursing care plans and organize the knowledge of professionals into a conceptual framework,as well as provide effective guidance for nurses on what to do.

Infinitely Many Solutions and a Ground-State Solution for Klein-Gordon Equation Coupled with Born-Infeld Theory

In this paper, we intend to consider a kind of nonlinear Klein-Gordon equation coupled with Born-Infeld theory. By using critical point theory and the method of Nehari manifold, we obtain two existing results of infinitely many high-energy radial solutions and a ground-state solution for this kind of system, which improve and generalize some related results in the literature.

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.

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.

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.

Langmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Aminobenzoic Acid for Drug Nanosensor Application

Calix[n]arenes was utilized to detect PABA,the primary sunscreen component.This study investigates the interaction of calix[4]arene(C4),calix[6]arene(C6),and PABA using the Langmuir method and first-principle density functional theory(DFT).Using the Langmuir-Schaefer(LS)technique,an ultrathin film composed of calix[n]arenes and their complexes with PABA was deposited on various substrates.Based on the Langmuir study,the PABA molecule was bonded to the lower rims of both C4 and C6 with the host-guest ratio of 1:1.All of the LS films formed were then characterized by ultravioletvisible spectroscopy(UV-Vis),Fourier-transform infrared spectroscopy(FTIR)and carbon,hydrogen,nitrogen,sulfur elemental analyzer(CHNS).The band gap reduction obtained in the DFT study denotes the charge transfer interaction with promising reactivity between the calix[n]arenes and PABA.The sensing of PABA by C4 and C6 is successful based on the formation of bonding between them due to the hosts’effective trapping capacity.The outcomes of this study could be applied to drug delivery systems for future pharmaceutical and medical applications.

Systems Theory-Driven Framework for AI Integration into the Holistic Material Basis Research of Traditional Chinese Medicine

This paper introduces a systems theory-driven framework to integration artificial intelligence(AI)into traditional Chinese medicine(TCM)research,enhancing the understanding of TCM’s holistic material basis while adhering to evidence-based principles.Utilizing the System Function Decoding Model(SFDM),the research progresses through define,quantify,infer,and validate phases to systematically explore TCM’s material basis.It employs a dual analytical approach that combines top-down,systems theory-guided perspectives with bottom-up,elements-structure-function methodologies,provides comprehensive insights into TCM’s holistic material basis.Moreover,the research examines AI’s role in quantitative assessment and predictive analysis of TCM’s material components,proposing two specific AIdriven technical applications.This interdisciplinary effort underscores AI’s potential to enhance our understanding of TCM’s holistic material basis and establishes a foundation for future research at the intersection of traditional wisdom and modern technology.

Prediction and critical transition mechanism for granite fracture:Insights from critical slowing down theory

Rock fracture warning is one of the significant challenges in rock mechanics.Many true triaxial and synchronous acoustic emission(AE)tests were conducted on granite samples.The investigation focused on the characteristics of AE signals preceding granite fracture,based on the critical slowing down(CSD)theory.The granite undergoes a transition from the stable phase to the fracture phase and exhibits a clear CSD phenomenon,characterized by a pronounced increase in variance and autocorrelation coefficient.The variance mutation points were found to be more identifiable and suitable as the primary criterion for predicting precursor information related to granite fracture,compared to the autocorrelation coefficient.It is noteworthy to emphasize that the CSD factor holds greater potential in elucidating the underlying mechanisms responsible for the critical transition of granite fracture,in comparison to the AE timing parameters.Furthermore,a novel multi-parameter collaborative prediction method for rock fracture was developed by comprehensively analyzing predictive information,including abnormal variation modes and the CSD factor of AE characteristic parameters.This method enhances the understanding and prediction of rock fracture-related geohazards.

An Improved CREAM Model Based on DS Evidence Theory and DEMATEL

Cognitive Reliability and Error Analysis Method(CREAM)is widely used in human reliability analysis(HRA).It defines nine common performance conditions(CPCs),which represent the factors thatmay affect human reliability and are used to modify the cognitive failure probability(CFP).However,the levels of CPCs are usually determined by domain experts,whichmay be subjective and uncertain.What’smore,the classicCREAMassumes that the CPCs are independent,which is unrealistic.Ignoring the dependence among CPCs will result in repeated calculations of the influence of the CPCs on CFP and lead to unreasonable reliability evaluation.To address the issue of uncertain information modeling and processing,this paper introduces evidence theory to evaluate the CPC levels in specific scenarios.To address the issue of dependence modeling,the Decision-Making Trial and Evaluation Laboratory(DEMATEL)method is used to process the dependence among CPCs and calculate the relative weights of each CPC,thus modifying the multiplier of the CPCs.The detailed process of the proposed method is illustrated in this paper and the CFP estimated by the proposed method is more reasonable.

Island biogeography theory and the habitat heterogeneity jointly explain global patterns of Rhododendron diversity

Mountain biodiversity is of great importance to biogeography and ecology.However,it is unclear what ecological and evolutionary processes best explain the generation and maintenance of its high levels of species diversity.In this study,we determined which of six common hypotheses(e.g.,climate hypotheses,habitat heterogeneity hypothesis and island biogeography theory)best explain global patterns of species diversity in Rhododendron.We found that Rhododendron diversity patterns were most strongly explained by proxies of island biogeography theory(i.e.,mountain area)and habitat heterogeneity(i.e.,elevation range).When we examined other relationships important to island biogeography theory,we found that the planimetric area and the volume of mountains were positively correlated with the Rhododendron diversity,whereas the‘mountains-to-mainland’distance was negatively correlated with Rhododendron diversity and shared species.Our findings demonstrate that Rhododendron diversity can be explained by island biogeography theory and habitat heterogeneity,and mountains can be regarded as islands which supported island biogeography theory.

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.

Distributed Matching Theory-Based Task Re-Allocating for Heterogeneous Multi-UAV Edge Computing

Many efforts have been devoted to efficient task scheduling in Multi-Unmanned Aerial Vehicle(UAV)edge computing.However,the heterogeneity of UAV computation resource,and the task re-allocating between UAVs have not been fully considered yet.Moreover,most existing works neglect the fact that a task can only be executed on the UAV equipped with its desired service function(SF).In this backdrop,this paper formulates the task scheduling problem as a multi-objective task scheduling problem,which aims at maximizing the task execution success ratio while minimizing the average weighted sum of all tasks’completion time and energy consumption.Optimizing three coupled goals in a realtime manner with the dynamic arrival of tasks hinders us from adopting existing methods,like machine learning-based solutions that require a long training time and tremendous pre-knowledge about the task arrival process,or heuristic-based ones that usually incur a long decision-making time.To tackle this problem in a distributed manner,we establish a matching theory framework,in which three conflicting goals are treated as the preferences of tasks,SFs and UAVs.Then,a Distributed Matching Theory-based Re-allocating(DiMaToRe)algorithm is put forward.We formally proved that a stable matching can be achieved by our proposal.Extensive simulation results show that Di Ma To Re algorithm outperforms benchmark algorithms under diverse parameter settings and has good robustness.

SHARP MORREY REGULARITY THEORY FOR A FOURTH ORDER GEOMETRICAL EQUATION

This paper is a continuation of recent work by Guo-Xiang-Zheng[10].We deduce the sharp Morrey regularity theory for weak solutions to the fourth order nonhomogeneous Lamm-Rivière equation △^{2}u=△(V▽u)+div(w▽u)+(▽ω+F)·▽u+f in B^(4),under the smallest regularity assumptions of V,ω,ω,F,where f belongs to some Morrey spaces.This work was motivated by many geometrical problems such as the flow of biharmonic mappings.Our results deepens the Lp type regularity theory of[10],and generalizes the work of Du,Kang and Wang[4]on a second order problem to our fourth order problems.

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.