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.

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.

Sensitivity impacts owing to the variations in the type of zero-range pairing forces on the fission properties using the density functional theory

Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were calculated.The volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov approximation.Variations in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and discussed.The fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap approximation.The results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing force.Based on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data.

A new method for evaluating the firing precision of multiple launch rocket system based on Bayesian theory

How to effectively evaluate the firing precision of weapon equipment at low cost is one of the core contents of improving the test level of weapon system.A new method to evaluate the firing precision of the MLRS considering the credibility of simulation system based on Bayesian theory is proposed in this paper.First of all,a comprehensive index system for the credibility of the simulation system of the firing precision of the MLRS is constructed combined with the group analytic hierarchy process.A modified method for determining the comprehensive weight of the index is established to improve the rationality of the index weight coefficients.The Bayesian posterior estimation formula of firing precision considering prior information is derived in the form of mixed prior distribution,and the rationality of prior information used in estimation model is discussed quantitatively.With the simulation tests,the different evaluation methods are compared to validate the effectiveness of the proposed method.Finally,the experimental results show that the effectiveness of estimation method for firing precision is improved by more than 25%.

Numerical Simulation of the Settling Flux of Biodeposition in a Bay with Cage Culture Through Similarity Theory and a Simplified Pollution Source

The settling flux of biodeposition affects the environmental quality of cage culture areas and determines their environmental carrying capacity.Simple and effective simulation of the settling flux of biodeposition is extremely important for determining the spatial distribution of biodeposition.Theoretically,biodeposition in cage culture areas without specific emission rules can be simplified as point source pollution.Fluent is a fluid simulation software that can simulate the dispersion of particulate matter simply and efficiently.Based on the simplification of pollution sources and bays,the settling flux of biodeposition can be easily and effectively simulated by Fluent fluid software.In the present work,the feasibility of this method was evaluated by simulation of the settling flux of biodeposition in Maniao Bay,Hainan Province,China,and 20 sampling sites were selected for determining the settling fluxes.At sampling sites P1,P2,P3,P4,P5,Z1,Z2,Z3,Z4,A1,A2,A3,A4,B1,B2,C1,C2,C3 and C4,the measured settling fluxes of biodeposition were 26.02,15.78,10.77,58.16,6.57,72.17,12.37,12.11,106.64,150.96,22.59,11.41,18.03,7.90,19.23,7.06,11.84,5.19 and 2.57 g d^(−1)m^(−2),respectively.The simulated settling fluxes of biodeposition at the corresponding sites were 16.03,23.98,8.87,46.90,4.52,104.77,16.03,8.35,180.83,213.06,39.10,17.47,20.98,9.78,23.25,7.84,15.90,6.06 and 1.65 g d^(−1)m^(−2),respectively.There was a positive correlation between the simulated settling fluxes and measured ones(R=0.94,P=2.22×10^(−9)<0.05),which implies that the spatial differentiation of biodeposition flux was well simulated.Moreover,the posterior difference ratio of the simulation was 0.38,and the small error probability was 0.94,which means that the simulated results reached an acceptable level from the perspective of relative error.Thus,if nonpoint source pollution is simplified to point source pollution and open waters are simplified based on similarity theory,the setting flux of biodeposition in the open waters can be simply and effectively simulated by the fluid simulation software Fluent.

New Rural Community Construction or Retention Development:A Comparative Analysis of Rural Settlement Transition Mechanism in Plain Agriculture Area of China Based on Actor Network Theory

It is an important way to realize rural revitalization and sustainable development to guide rural settlement transition(RST)in an appropriate way.This paper uses actor network theory(ANT)to construct a theoretical framework for the study of RST.Taking two typical villages with different transition paths in rural areas of North China Plain as examples,this paper reveals the mechanism of RST and makes a comparative analysis.The results show that:1)after identifying problems and obligatory passage point,key actors recruit heterogeneous actors into the actor network by entrusting them with common interests,and realize RST under the system operation.2)Rural settlements under different transition paths have similarities in the problems to be solved,collective actions and policy factors,but there are differences in the transition process,mechanism and effect.The actor network and mechanism of RST through the path of new rural community construction are more complex and the transition effect is more thorough.In contrast,the degree of RST of retention development path is limited if there is no resource and location advantage.3)Based on the applicable conditions of different paths,this paper designs a logical framework of‘Situation-Structure-Behavior-Result’to scientifically guide the identification of RST paths under the background of rural revitalization.

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.

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.

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.

Problem-solving model guided by stimulus-organism-response theory:State of mind and coping styles of depressed mothers after cesarean delivery

BACKGROUND The use of a problem-solving model guided by stimulus-organism-response(SOR)theory for women with postpartum depression after cesarean delivery may inform nursing interventions for women with postpartum depression.AIM To explore the state of mind and coping style of women with depression after cesarean delivery guided by SOR theory.METHODS Eighty postpartum depressed women with cesarean delivery admitted to the hospital between January 2022 and October 2023 were selected and divided into two groups of 40 cases each,according to the random number table method.In the control group,the observation group adopted the problem-solving nursing model under SOR theory.The two groups were consecutively intervened for 12 weeks,and the state of mind,coping styles,and degree of post-partum depression were analyzed at the end of the intervention.RESULTS The Edinburgh Postnatal Depression Scale and Hamilton Depression Scale-24-item scores of the observation group were lower than in the control group after care,and the level of improvement in the state of mind was higher than that of the control group(P<0.05).The level of coping with illness in the observation group after care(26.48±3.35)was higher than that in the control group(21.73±3.20),and the level of avoidance(12.04±2.68)and submission(8.14±1.15)was lower than that in the control group(15.75±2.69 and 9.95±1.20),with significant differences(P<0.05).CONCLUSION Adopting the problem-solving nursing model using SOR theory for postpartum depressed mothers after cesarean delivery reduced maternal depression,improved their state of mind,and coping level with illness.

Research on Data Theory of Value

This paper explores the data theory of value along the line of reasoning epochal characteristics of data-theoretical innovation-paradigmatic transformation and,through a comparison of hard and soft factors and observation of data peculiar features,it draws the conclusion that data have the epochal characteristics of non-competitiveness and non-exclusivity,decreasing marginal cost and increasing marginal return,non-physical and intangible form,and non-finiteness and non-scarcity.It is the epochal characteristics of data that undermine the traditional theory of value and innovate the“production-exchange”theory,including data value generation,data value realization,data value rights determination and data value pricing.From the perspective of data value generation,the levels of data quality,processing,use and connectivity,data application scenarios and data openness will influence data value.From the perspective of data value realization,data,as independent factors of production,show value creation effect,create a value multiplier effect by empowering other factors of production,and substitute other factors of production to create a zero-price effect.From the perspective of data value rights determination,based on the theory of property,the tragedy of the private outweighs the comedy of the private with respect to data,and based on the theory of sharing economy,the comedy of the commons outweighs the tragedy of the commons with respect to data.From the perspective of data pricing,standardized data products can be priced according to the physical product attributes,and non-standardized data products can be priced according to the virtual product attributes.Based on the epochal characteristics of data and theoretical innovation,the“production-exchange”paradigm has undergone a transformation from“using tangible factors to produce tangible products and exchanging tangible products for tangible products”to“using intangible factors to produce tangible products and exchanging intangible products for tangible products”and ultimately to“using intangible factors to produce intangible products and exchanging intangible products for intangible products”.

Ecological Remediation Measures for Non-point Source Pollution Based on Source-Sink Landscape Theory: A Case Study of Huanghou Basin

The growth of society and population has led to a range of water pollution issues.Among these,non-point source pollution assessment and treatment pose a particular challenge due to its formation mechanism.This has become a focal point and challenge in water pollution treatment research.The study area for this research was the Huanghou basin in Guizhou Province,southwest China.The land use type of the basin was analyzed using remote sensing technology,and water quality data was collected by distributing points throughout the basin,based on source-sink landscape theory.The distribution map of the basin’s source-sink landscape and the results of water quality data accurately and efficiently identified the areas with high risk of non-point source pollution in the western and southwestern residential and agricultural areas of the upper basin.Hence,a strategy of“increasing sinks and decreasing sources”was proposed.The strategy was implemented at both macro and micro levels to address non-point source pollution in the basin using ecological remediation techniques.The work to control karst rocky desertification should continue at a macro level.The rocky desertification area in the basin should gradually transform into grassland and forested land,while increasing the overall area of the sink landscape.Ecological restoration techniques,such as slope planting,riparian zone vegetation restoration,increasing plant abundance,and restoring aquatic plants,can effectively control non-point source pollution at the micro level.Compared to traditional control methods,this remediation strategy focuses on source and process control.It is more effective and does not require large-scale water pollution control projects,which can save a lot of environmental control funds and management costs.Therefore,it has greater research significance and application value.

Landscape Architecture Planning and Design Based on Landscape Ecology Theory:A Case Study of Waterfront Landscape Planning and Design of Dapo Town

With the rapid development of urbanization,landscape architecture has become an indispensable component of daily life.In order to achieve better landscape effects and protect the ecological environment,landscape ecology theory can be integrated into landscape planning to carry out disciplinary crossing and integration research between landscape ecology and landscape architecture.In this study,based on the basic theories of landscape ecology,the waterfront landscape of Dapo Town was designed,with the aim to achieve ecological balance in planning,showcase biodiversity,and create a harmonious landscape ecological environment which can benefit both nature and people.This design combined artificial and natural elements while improving the natural environment,which promoted a harmonious relationship between humans and nature,thus enriching the spatial organization of the city,and playing a role in regulating the urban environment and climate.

Towards 6D Little String Theory of Particles

A model for particles based on preons in chiral, vector and tensor/graviton supermultiplets of unbroken global supersymmetry is engineered. The framework of the model is little string theory. Phenomenological predictions are discussed.

The Place of Nursing Theory in the Management of Post-Operative Infections in a Hospital Environment: Case of Cibitoke District Hospital

Introduction: Post-operative infections, such as surgical site infections (SSIs), are a significant concern in healthcare settings. Nurses play a crucial role in the prevention and management of these infections. The use of nursing theory could contribute to the prevention of SSIs. The aim of this study was to evaluate the role of nursing theory in the management of surgical site infections (SSIs) in a hospital environment. Method: A cross-sectional study was conducted using descriptive and analytical methods to assess the role of nursing theory in the management of Post-operative infections (POI) in a hospital setting in October 2023. The study population consisted of nurses working in the Surgery, Emergency, and Maternity units at Cibitoke District Hospital. A sample size of 71 nurses working full or part time in the Surgery were invited to participate in this study. A questionnaire was used to collect the data, and SPSS version 21.0 software was used for analysis. Results: The study found that nursing theory did not have any statistically significant place in the management of POI (p-value = 0.523). However, the results showed that experience was the only significant factor influencing the management of POI (p-value = 0.004). This is explained by the analysis of the net effects of the explanatory variable where we noticed that those who had more experience were more likely to manage post-operative infections. The participants’ knowledge regarding nursing theory in the management was poor as they scored less than 30% in all the variables used to measure their knowledge. Conclusion: The study revealed that nurses’ knowledge of nursing theories and their applications in the management of SSIs was poor. Continuing professional development, curriculum review, and in-service training were highly recommended.

Mirror Stage Theory Analysis of Bravery in Zootopia(2016)and Nezha(2019)

American Hollywood animated films have conquered the world.In recent years,many successful works have appeared in domestic animated films,bringing new vitality to the Chinese animated film industry.Based on Lacan’s Mirror Stage Theory,this study attempts to start from the bravery of Judy and Nezha,the protagonists of Zootopia(2016)and Nezha(2019).It analyzes and compares their embodiment,formation,influence and reflection with real society to solve the problems of the two brave characters’formation causes,characteristic differences and social influences,including racial discrimination,individualism in American society and family problems in Chinese society.This study sheds light on the transmission of intercultural values in animated films.

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.

Research on the Chinese Translation of Brand Advertisements from the Perspective of Skopos Theory

This study is based on the Skopos theory,using the translation of selected brand advertising slogans as examples.It analyzes the characteristics of advertising slogans and summarizes translation strategies to illustrate the research value of translating advertising slogans into Chinese.This research aims to help domestic consumers accurately understand the meaning of imported product advertisements and provide reference for the translation of domestic brand advertisements,thereby contributing to the development of national enterprises.

Discourse Analysis Based on Face-Threatening Theory-A Case Study of TucaodahuiⅢ

Face and politeness are very important parts in people’s daily communication.But people will violate the principle of politeness for protecting their own face.Therefore,they usually choose to use more humorous words or jocular words to communicate in order to avoid direct contradictions.Starting from the face-threatening acts in the face theory and politeness principle,this paper briefly analyzes the face-threatening acts and its humorous usage in the TucaodahuiⅢ.

Transcreation in Advertisement Slogans from the Perspective of Communicative Translation Theory

Through in-depth analysis of advertisement slogans,the present study probes into the unique contribution of trancreation in conveying brand messages and triggering emotional resonance of the audience.The study firstly outlines theoretical basis of transcreation from the perspective of Communicative Translation Theory,emphasizing its uniqueness in the traditional translation paradigm.Then the four key steps of transcreation,including in-depth understanding of the brand essence,sensitive response to cultural differences,flexible use of language skills,and incorporation of creative elements,are examined by means of case analysis in advertisement translation.Finally,the article sums up the positive impact of transcreation on cultural exchange,brand communication and translation field,particularly in the era of globalisation.