BASIC EQUATIONS, THEORY AND PRINCIPLE OF COMPUTATIONAL STOCK MARKET (Ⅰ)──BASIC EQUATIONS

This paper studies computational stock market by using network model and similar methodology used in solid mechanics. Four simultaneous basic equations, i. e., equation of interest rate and amount of circulating fond, equations of purchasing and selling of share, equation of changing rate of share price, and equation of interest rate, share price and its changing rate, have been established. Discussions mainly on the solution and its simple applications of the equation of interest rate and amount of circulating fond are given. The discussions also involve the proof of tending to the equilibrium state of network of stock market based on the time discrete form of the equation by using Banach theorem of contraction mapping, and the influence of amount of circulating fond with exponential attenuation due to the decreasing of banking interest rate.Keyworks: stock market; network model; differential equation; contraction mapping; elasticity; methodology

The Principle of Differentiation into Physical and Mathematical Theories

The article formulates the main principle of physics, which underlies this science. This principle has been called by the author of this article the Principle of differentiation into physical and mathematical theories. The article gives examples of the application of this principle in quantum mechanics and cosmology. A more detailed proof of the principle of equivalence of the electromagnetic field and the field of strong interaction to a free material particle is given. This principle, formulated in the article “Electrodynamics in Curvilinear Coordinates and the Equation of a Geodesic Line”, revealed the nature of the mass of elementary particles and became the basis for the formulation of the Principle of differentiation into physical and mathematical theories.

Density Functional Theory for Battery Materials

Batteries are the most widely used energy storage devices, and the lithiumion battery is the most heavily commercialized and most widely used battery type in the industry. However, the current rapid development of society requires a major advancement in battery materials to achieve high capacity,long life cycle, low cost, and reliable safety. Therefore, many new efficient energy storage materials and battery systems are being developed and explored, and their working mechanisms must be clearly understood before industrial application. In recent years, density functional theory (DFT) has been employed in the energy storage field and has made significant contributions to the understanding of electrochemical reaction mechanisms and to virtual screening of promising energy storage materials. In this review,the applications of DFT to battery materials are summarized and exemplified by some representative and up-to-date studies in the literature. The main focuses in this review include the following:1) structural stability estimation by cohesive energy, formation energy, Gibbs free energy, and phonon dispersion spectra calculations;2) the Gibbs free energy calculations for electrochemical reactions, corresponding open-circuit voltage, and theoretical capacity predictions of batteries;3) the analyses of molecule orbitals, band structures, density of states (DOS), and charge distribution of battery materials;4) ion transport kinetics in battery materials;5) simulations of adsorption processes. We conclude the review with the discussion of the assessments and validation of the popular functionals against several benchmarks, and a few suggestions have been given for the selection of density functionals for battery material systems.

Influence of nickel(II) oxide surface magnetism on molecule adsorption: A first-principles study

The influence of the magnetism of transition metal oxide,nickel(II)oxide(NiO),on its surface reactivity and the dependence of surface reactivity on surface orientation and reactant magnetism were studied by density functional theory plus U calculations.We considered five different antiferromagnetically ordered structures and one ferromagnetically ordered structure,NiO(001)and Ni(011)surfaces,paramagnetic molecule NO,and nonparamagnetic molecule CO.The calculations showed that the dependence of surface energies on magnetism was modest,ranging from49to54meV/?2for NiO(001)and from162to172meV/?2for NiO(011).On NiO(001),both molecules preferred the top site of the Ni cation exclusively for all NiO magnetic structures considered,and calculated adsorption energies ranged from?0.33to?0.37eV for CO and from?0.42to?0.46eV for NO.On NiO(011),both molecules preferred the bridge site of two Ni cations irrespective of the NiO magnetism.It was found that rather than the long‐range magnetism of bulk NiO,the local magnetic order of two coordinated Ni cations binding to the adsorbed molecule had a pronounced influence on adsorption.The calculated NO adsorption energy at the(↑↓)bridge sites ranged from?0.99to?1.05eV,and become stronger at the(↑↑)bridge sites with values of?1.21to?1.30eV.For CO,although the calculated adsorption energies at the(↑↓)bridge sites(?0.73to?0.75eV)were very close to those at the(↑↑)bridge sites(?0.71to?0.72eV),their electron hybridizations were very different.The present work highlights the importance of the local magnetic order of transition metal oxides on molecular adsorption at multi‐fold sites.

Theoretical calculations of structural, electronic, and elastic properties of CdSe_(1-x)Te_x:A first principles study

The plane wave pseudo-potential method was used to investigate the structural, electronic, and elastic properties of Cd Se_（1-x）Te_x in the zinc blende phase. It is observed that the electronic properties are improved considerably by using LDA ＋ U as compared to the LDA approach. The calculated lattice constants and bulk moduli are also comparable to the experimental results. The cohesive energies for pure Cd Se and Cd Te binary and their mixed alloys are calculated. The second-order elastic constants are also calculated by the Lagrangian theory of elasticity. The elastic properties show that the studied material has a ductile nature.

The patient suicide attempt-An ethical dilemma case study

Case description:Nurses face more and more ethical dilemmas during their practice nowadays,especially when they are taking care of the patient at end of life stage.The case study demonstrates an ethical dilemma when nursing staff are taking care of an end stage aggressive prostate cancer patient Mr Green who expressed the suicide thoughts to one of the nurses and ask that nurse keep secret for him in Brisbane,QLD,Australia.Ethical dilemma identification:The ethical dilemma is identified as“if the nursing staff should tell other health care team members about patient's suicide attempt without patient's consent”.Analysis:To better solving this case and making the best moral decision,the ethical theory,the ethical principles and the Australian nurses'code of ethics values statement,the associated literature relative with this case are analyzed before the decision making.Ethical decision making:After consider all of the above factors,in this case,the best ethical decision for the patient is that the nurse share the information of Mr Green's suicide attempt with other health care professionals.Results:In Mr Green's case,the nurse chose to share the information of Mr Green's suicide attempt with other health care professionals.The nursing team followed the self-harm and suicide protocol of the hospital strictly,they maintained the effective communication with Mr Green,identified the factors which cause patient's suicide attempt,provided the appropriate nursing intervention to deal will these risk factors and collaborated with other health care professionals to prefect the further care.The patient transferred to a palliative care service with no sign of suicide attempt and other self-harm behaviors and passed away peacefully 76 days after discharged with his relatives and pastors accompany.

Ab initio investigation of photoinduced non-thermal phase transition inβ-cristobalite

Using the linear-response method, we investigate the phonon properties of β-cristobalite crystal under electronic ex- citation effect. We find that the transverse-acoustic phonon frequency becomes imaginary as the electron temperature is increased, which means that the lattice of β-cristobalite becomes unstable under intense laser irradiation. In addition, for the optic phonon mode, the LO（H）-TO（H） splitting disappears when the electronic temperature reaches a certain value, corresponding to the whole transverse-acoustic phonon branches becoming negative. It means that the electronic excitation destroys the macroscopic electric field of β-cristobalite. Based on the calculated phonon band structures, some thermo- dynamic properties are calculated as a function of temperature at different electronic temperatures. These investigations provide evidence that non-thermal melting takes place during a femtosecond pulse laser interaction with β-cristobalite.

Basic theories and development of Miao medicine

Miao is an important ethnic minority in China.Miao medicine(MM)is a pivotal of traditional Chinese medicine.It is an accumulation of the Miao people's experience fighting against diseases for thousands of years and has been an important part of the Miao culture.The origin of MM is closely related to Miao culture,customs,and habits.MM gradually formed a traditional medical theoretical system with obvious regional characteristics,distinctive cultural characteristics,and unique efficacy.In this paper,we intro-duce and review the unique theoretical system of MM,including the basic theory of MM,the theory of medicine,nature,taste,and channel tropism,and the theory of entering the shelf.In addition,we summarize the development of MM to provide an overview of the theoretical characteristics and industrialisation of MM that is accessible to everyone.

The electronic and magnetic properties of wurtzite Mn：CdS, Cr：CdS and Mn：Cr：CdS： first principles calculations

In this article, density functional theory（DFT） based on generalized gradient approximation（GGA）and GGACU, U is Hubbard term, is used to study the electronic properties of CdS doped with different dopants（Cr, Mn）. The calculations are carried out for Mn-doped CdS, Cr-doped CdS, and co-doping of Mn/Cr in CdS simultaneously. It is found that hopping of electrons is possible with Cr：CdS and Mn：Cr：CdS while Mn：CdS does not allow the hopping of electrons. Moreover, double exchange interactions are observed in Cr：CdS and d-d superexchange interactions are observed in Mn：CdS. Now the problem becomes interesting when one magnetic ion（Cr） supporting double exchange interactions and another ion（Mn） supporting d-d super-exchange interactions are doped simultaneously in the same system（CdS）. The co-doped CdS is more stable even at high Curie temperature due to p-d double exchange interactions and d-d super exchange interactions. Furthermore, the Cr-3d and Mn-3d states present in-between the band gap are responsible for inner shell transitions and hence for optical properties.Therefore, the co-doped system is taken into account to enhance its applications in the field of spintronic and magneto-optical devices.

Investigation on AQ11, ID3 and the Principle of Discernibility Matrix

The principle of discernibility matrix serves as a tool to discuss and analyze two algorithms of traditional inductive machine learning, AQ11 and ID3. The results are: (1) AQ11 and its family can be completely specified by the principle of discernibility matrix; (2) ID3 can be partly, but not naturally, specified by the principle of discernibility matrix; and (3) The principle of discernibility matrix is employed to analyze Cendrowska sample set, and it shows the weaknesses of knowledge representation style of decision tree in theory.

Is There a Minimum Electrophilicity Principle in Chemical Reactions？

For 25 simple reactions, the changes of the hardness （△η）, polarizability （△α） and electrophilicity index （△ω） and their cube-roots （△η^1/3, △α^1/3, △ω^1/3） were calculated. It is shown that although the Maximum Hardness and Minimum Polarizability Principles are not valid for all reactions, but in most cases △ω^1/3〈0, whereas we always find △ω〈0. Our observation implies to this fact that for those chemical reactions in which the number of moles decreases or at least remains constant, the most stable species （reactants or products） have the lowest sum of electrophilicities. In other words ＂the natural direction of a chemical reaction is toward a state of minimum electrophilicity＂. This fact may be called Minimum Electrophilicity Principle （MEP）.