Progress in the application of Meleis transition theory in the nursing field

This paper reviews the development of Meleis transition theory,explores the trajectory of the development of transition theory,analyses of the transition theory at home and abroad and research status,discusses the research prospect of transition theory,in order to better apply Meleis transition theory to clinical nursing work,provide a certain basis for discipline development and nursing research.

A Study on the Effect of Comprehensive Intervention Based on Transition Theory on the Readiness for Discharge of Post-Operative Breast Cancer Patients

Purpose: To explore the effect of comprehensive intervention based on transition theory in enhancing the readiness for discharge of post-operative breast cancer patients. Method: In a non-simultaneous controlled study test, 99 post-operative breast cancer patients hospitalized between August 2019 and February 2020 were selected as the control group and 93 post-operative breast cancer patients hospitalized between March and August 2020 were selected as the test group at a Grade A tertiary tumor hospital. While the control group used the conventional care model, the test group added a comprehensive intervention based on transition theory to the routine nursing, which focused on stimulating patients’ awareness of health transitions, assisting patients to identify health critical events, strengthening social support and promoting self-management. The differences between the two groups were compared in terms of patient readiness for discharge and patient evaluation of the quality of discharge teaching. Result: The total score of readiness for discharge was higher in the test group than in the control group (171.7 ± 24.5 vs. 155.9 ± 28.9) and the scores for “Self-condition” (55.6 ± 8.2 vs. 50.8 ± 9.7), “Disease Knowledge” (64.7 ± 13.1 vs. 57.7 ± 13.8), “Coping Ability after Discharge” (24.6 ± 4.8 vs. 22.2 ± 5.6), “Expected Social Support after Discharge” (26.8 ± 4.5 vs. 25.2 ± 4.8) were higher than those of the control group, and all differences were statistically significant (p < 0.05). The total score of the test group on the quality of discharge teaching scale was higher than that of the control group (162.1 ± 19.9 vs. 152.6 ± 28.7), and the scores for “Content that Patients Self-perceived they required before discharge” (53.2 ± 9.5 vs. 49.4 ± 12.1), “Content that Patients Actually Acquired before Discharge” (51.2 ± 9.2 vs. 48.3 ± 11.3) and “Guiding Skills and Effects of Discharge for Nurses” (110.9 ± 12.6 vs. 104.3 ± 19.00) were also higher than those of the control group (p Conclusion: Comprehensive intervention based on transition theory for post-operative breast cancer patients is beneficial to improve the quality of discharge nursing guidance, thereby improving the readiness for discharge of patients and enhancing the sense of control and identity of patients after discharge.

Mechanism of K/Ni Etching for Biochar-H_(2)O Gasification

Biomass-H_(2)O gasification is a complex thermochemical reaction,including three processes of volatile removal:homogeneous/heterogeneous reforming,biochar gasification and etching.The rate-determining step is biochar-H_(2)O gasification and etching so the DFT is carried out to see the catalytic role of different metal elements(K/Ni)in the zigzag biochar model.The calculation results show that the gasification of biochar-H_(2)O needs to go through four processes:dissociative adsorption of water,hydrogen transfer(hydrogen desorption,hydrogen atom transfer),carbon dissolution and CO desorption.The energy barrier indicated that the most significant step in reducing the activation energy of K is reflected in the hydrogen transfer step,which is reduced from 374.14 kJ/mol to 152.41 kJ/mol;the catalytic effect of Ni is mainly reflected in the carbon dissolution step,which is reduced from 122.34 kJ/mol to 84.8 kJ/mol.The existence of K causes the edge to have a stronger attraction to H and does not destroy theπbonds of biochar molecules.The destruction ofπbonds is mainly due to the role of H free radicals,while the destruction ofπbonds will lead to easier C-C bond rupture.Ni shows a strong attraction to O in OH,which forms strong Ni-O chemical bonds.Ni can also destroy the aromatic structure directly,making the gasification easier to happen.This study explored the catalytic mechanism of K/Ni on the biochar-H_(2)O gasification at the molecular level and looked forward to the potential synergy of K/Ni,laying a foundation for experimental research and catalyst design.

Tunable Electronic and Magnetic Properties from Structure Phase Transition of Layered Vanadium Diselenide

The atomic geometry, structure stability, electronic and magnetic properties of VSe2 were systematically investigated based on the density functional theory（DFT）. Varying from 3D to 2D four VSe2 structures, bulk 2H-VSe2 and 1T-VSe2, monolayer H-VSe2 and T-VSe2 are all demonstrated as thermodynamically stable by lattice dynamic calculations. More interestingly, the phase transition temperature is dramatically different due to the lattice size. Finally, owing to different crystal structures, H-VSe2 is semimetallic whereas T-VSe2 is totally metallic and also they have different magnetic moments. Our main argument is that being exfoliated from bulk to monolayer, 2H-VSe2 transforms to T-VSe2, accompanied by both semimetallic-metallic transition and dramatic magnetic moment variation. Our calculations provide a novel structure phase transition and an efficient way to modulate the electronic structure and magnetic moment of layered VSe2, which suggests potential applications as high-performance functional nanomaterial.

A brief analysis of the phase transitions and the overall correlation behavior in non uniformity computer network

With the developing of the computer, the network is more and more liked by the users. It has become an indispensable part of the living and production. However, with the expanding of network scale, there have been some problems in the operation of the network system. Most of people lack of understanding on these issues, so they couldn＇ t handle them well. Some people use the theory of phase transitions to explain the power law phenomena in computer network. But it only start from the theory, but ignores the correlation of network nodes. The lack of holistic thinking mode, make the development of computer network get into a stray area. This paper started from the phase transition theory, elaborated the connotations of phase transformation and the overall correlation, and described the problems about them.

Theoretical Study on the C-H Activation in Decarbonylation of Acetaldehyde by NiL_2(L=SO_3CH_3) Using Density Functional Theory

Density functional theory calculations were carried out to explore the potential energy surface（PES） associated with the gas-phase reaction of Ni L2（L=SO3CH3） with acetone. The geometries and energies of the reactants, intermediates, products and transition states of the triplet ground potential energy surfaces of [Ni, O, C2, H4] were obtained at the B3LYP/6-311＋＋G（d,p） levels in C,H,O atoms and B3LYP/ Lanl2 dz in Ni atom. It was found through our calculations that the decabonylation of acetaldehyde contains four steps including encounter complexation, C-C activation, aldehyde H-shift and nonreactive dissociation. The results revealed that C-C activation induced by Ni L2（L=SO3CH3） led to the decarbonylation of acetaldehyde.

Multiple Institutional Dynamics of Sustainable Housing Concepts in DenmarkOn the Role of Passive Houses

One of the central challenges of sustainable transition is the changing of the buildings. This involves social, cultural,political, and regulatory dynamics. Critically using transition theory conceptualization of a world of dynamics, the paper reviews institutional theory and actor network approaches in an attempt to better account for contemporary developments in Europe, encompassing EU reforms as well as multiple competing concepts. The emergence of ＂passive houses＂ in Denmark is used as a case of transition dynamics. The concept was developed in Germany and imported into Denmark. It is a technological niche, encompassing technologies, players, improvisation, and early customers. Passive houses have entered into fierce competition with other future institutions such as LEED （Leadership in Energy and Environmental Design）, DGNB （German Sustainable Building Council）/green building council, and active houses. Passive houses were at the outset a well-developed upcoming institution with design principles, software, certification and numerous reference buildings, strong enough to be a challenger institution. They are promoted by a characteristic alliance of architects, consulting engineers, a few clients, and an architect school, whereas the other concepts exhibit their specific actor alliances. Yet passive houses experience barriers such as the reputation of being expensive and non-user friendly, and are currently surpassed by the other concepts.

Theoretical Study on Mechanism and Kinetics of Reaction of O（^3p） with Propane

The reaction of C3H8＋O（^3p）→C3HT＋OH is investigated using ab initio calculation and dynamical methods. Electronic structure calculations for all stationary points are obtained using a dual-level strategy. The geometry optimization is performed using the unrestricted second-order Moller-Plesset perturbation method and the single-point energy is computed us- ing the coupled-cluster singles and doubles augmented by a perturbative treatment of triple excitations method. Results indicate that the main reaction channel is C3Hs＋O（^3p）→i- C3HT＋OH. Based upon the ab initio data, thermal rate constants are calculated using the variational transition state theory method with the temperature ranging from 298 K to 1000 K. These calculated rate constants are in better agreement with experiments than those reported in previous theoretical studies, and the branching ratios of the reaction are also calculated in the present work. Furthermore, the isotope effects of the title reaction are calculated and discussed. The present work reveals the reaction mechanism of hydrogenabstraction from propane involving reaction channel competitions is helpful for the understanding of propane combustion.

Theoretical Studies on the Kinetics and Mechanisms of Reactions for Methyl Vinyl Ether and Ozone

The interconversion between the two distinct isomers of methyl vinyl ether （MVE）, the formation of the primary ozonides from O3-initated reactions of MVE, the transformation between the primary ozonides, and the subsequent fragmentation were studied using quantum chemical methods at the BHandHLYP/6311＋＋G（d,p） level of theory for optimized geometries and frequency calculations and at the QCISD/631G（d,p） level for the single point energy calculations. The rate coefficients were calculated for the temperature range 280-440 K by using the canonical transition state theory （TST）. For ozone addition to MVE, there are two different possibilities discussed on the basis of two different possible orientations for ozone attack. The results of the theoretical study indicate that although the synperiplanar-MVE is 7.11 kJ/mol more stable than the antiperiplanar-MVE, the antiperiplanar-MVE plays a more important role in formation of the primary ozonides because the primary ozonides formed from the ozone addition antiperiplanar-MVE are more stable and the energy barriers corresponding to transition states are lower. The intereonversion between the primary ozonides formed from the ozone addition to antiperiplanar-MVE is the most accessible compared with the transformations between other primary ozonides. The cleavage of the primary ozonides mainly leads to the formation of the CH2OO, which is in agreement with the experimental estimates. The calculated overall rate constant for the ozone-initiated reactions is 4.8× 10^-17 cm^3/（molecule.s） at 298.15 K, which agrees with the experimental value for ethyl vinyl ether.

Theoretical and Experimental Studies on the Reaction Mechanism of Cl_2 + I_2 = 2ICl

The gas phase reaction mechanism of Cl2 ＋ I2 = 2ICl has been theoretically investigated by DFF method at the B3LYP/3-21 G＊ level. Transition states of three reaction channels were consequently given. The results indicate that in the title reaction the least activation energy of bi-molecular reaction was smaller than the dissociation energies of I2 and Cl2, and thus the reaction mechanism was the course of molecule-molecule interaction at low reaction rate. If other factors such as illumination were taken into account, I2 could dissociate into I atoms and then react with Cl2, or Cl2 dissociates into CI atoms and reacts with I2. These were photochemical reactions with high reaction speed. The theoretical results were further validated with absorbance measurement at 516 nm.

Experimental and Theoretical Study on Pyrolysis of Isopsoralen

The pyrolysis of isopsoralen was studied by synchrotron vacuum ultraviolet photoionization mass spectrometry at low pressure. The pyrolysis products were detected at different photon energies, the ratios of products to precursor were measured at various pyrolysis temperatures. The experimental results demonstrate that the main pyrolysis products are primary CO and sequential CO elimination products （C10H602 and C9H60）. The decomposition channels of isopsoralen were also studied by the density functional theory, then rate constants for competing pathways were calculated by the transition state theory. The dominant decom- position channels of isopsoralen and the molecular structures for corresponding products were identified by combined experimental and theoretical studies.

A statistical model for predicting thermal chemical reaction rate

A simple model based on the statistics of individual atoms [Europhys. Lett. 94 40002 （2011）] or molecules [Chin. Phys. Lett. 29 080504 （2012）] was used to predict chemical reaction rates without empirical parameters, and its physical basis was further investigated both theoretically and via MD simulations. The model was successfully applied to some reactions of extensive experimental data, showing that the model is significantly better than the conventional transition state theory. It is worth noting that the prediction of the model on ab initio level is much easier than the transition state theory or unimolecular RRKM theory.

Simple statistical model for predicting thermal atom diffusion on crystal surfaces

A simple model based on the statistics of single atoms is developed to predict the diffusion rate of thermal atoms in （or on） bulk materials without empirical parameters. Compared with vast classical molecular-dynamics simulations for predicting the self-diffusion rate of Pt, Cu, and Ar adatoms on crystal surfaces, the model is proved to be much more accurate than the Arrhenius law and the transition state theory. Applying this model, the theoretical predictions agree well with the experimental values in the presented paper about the self-diffusion of Pt （Cu） adatoms on the surfaces.

Various Extensions of Original Born-Kramers-Slater Model for Reactions Kinetics Based on Brownian Motion and Fokker-Plank Equation Including 1D, 2D, 3D, and Multi-dimensional Approaches

Different extensions, such as Transition State theory of Eyring-Polanyi-Evans model of the original Born-Kramers-Slater Model for the Velocity of Chemical Reactions are discussed based on Smoluchowski and Fokker-Plank equations with various properties of Brownian motion and including 1-, 2-, 3-, and multi- dimensional models with applications in Neuroscience.

Variational transition state theory study of the reactions Li+HF and Li+HCl on the BO potential energy surfaces

Variational transition state theory is used to study the kinetics of the reactions Li+HF and Li+HCl on the BO potential energy surfaces, fitted to ab initio values by Lagana et al. The saddle point, the location of generalized transition state and other kinetic features on the bottleneck of the po- tential energy surface are obtained. We point out that the location of generalized transition state tends to the direction in which the two atoms with larger reduced mass separate off. It can be determined whether a potential energy surface is accurate or not by a fine analysis of its bottleneck region and a comparison of kinetic calculation with experimental result. This is helpful for building a more accurate potential energy surface.

Dynamic Transition and Pattern Formation in Taylor Problem

The main objective of this article is to study both dynamic and structural transitions of the Taylor-Couette flow, by using the dynamic transition theory and geometric theory of incompressible flows developed recently by the authors. In particular, it is shown that as the Taylor number crosses the critical number, the system undergoes either a continuous or a jump dynamic transition, dictated by the sign of a computable, nondimensional parameter R. In addition, it is also shown that the new transition states have the Taylor vortex type of flow structure, which is structurally stable.

Transit time difference and equal or non-equal transit time theory for airfoils with lift

The transit time difference of fluid particles moving along the upper and lower surfaces of a lift-producing airfoil is studied here both theoretically and numerically.We show that,under thin airfoil assumption and for potential flow,the transit time difference is equal to the circulation divided by the square of the inflow velocity and the lift coefficient is equal to half of the number of chords travelled by the airfoil during the transit time difference.An analysis of transit time difference for very thick airfoil(c.f.very large angle of attack)suggests the transit time may change sign beyond thin airfoil assumption,a conclusion supported by an example of flow with an attached vortex.Thus,fluid particles may transit the upper surface with less,equal and more time than those transiting the lower surface for lift producing airfoils,depending on the configuration of flow structure and geometry.

New Kinetics Equation for Stress Relaxation of Semi-crystalline Polymers below Glass Transition Temperature

The stress relaxation of semi-crystalline nylon 1010 cannot be fitted by the Kohlrausch-Williams-Watts formula when the experiments were performed at pre-yielding regime below the glass transition temperature.We study this problem and identify the two-step mechanism of stress relaxation.At short time scale,relaxation is fast,dominated by stress biased thermal fluctuation with a fixed short-range length scale(activation volume).At long time scale,relaxation is slow due to the emergence of a cooperative long-range length scale determined by the stress fluctuation.The cooperative length scale is proportional to the reciprocal of stress and the amplitude of stress fluctuation is the product of stress and activation volume.Based on this two-step mechanism,we propose a new kinetics equation to capture the stress relaxation effectively,where the short time relaxation is described by an Eyring-like local activation and the long-time relaxation is captured by a cooperative excitation process resorting to an extension from the random first order transition theory.Our equation fits the experimental data well and can serve as a model to guide the related experiments of relaxation processes in crystalline solids.