Research on the Course of Principles of Concrete Structure Design

Nowadays,education and teaching have become a hot topic,and teaching in colleges and universities is facing a brand-new development direction.Principles of Concrete Structure Design,as one of the main courses,transmits professional knowledge for students,enhances the students’professional ability,and further carries out in-depth research on the course to bring a better teaching effect for students.The article mainly focuses on the research of the principles of concrete structure design course,conducts an analysis of the teaching characteristics of the principles of concrete structure design course,and reasonably sets the teaching content from the optimization of the course teaching objectives;innovative course teaching methods can deepen the effect of knowledge understanding;reform of experimental practice teaching can lay down the effect of the internalization of knowledge,etc.The in-depth description and discussion of the relevant aspects of the research aim to provide guidelines for related research.

First-principles simulation of Raman spectra and structural properties of quartz up to 5 GPa

The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasing pressure and the a-axis is more compressible than the c axis. The Si–O bond distance decreases with increasing pressure, which is in contrast to experimental results reported by Hazen et al. [Hazen R M, Finger L W, Hemley R J and Mao H K 1989 Solid State Communications 725 507–511], and Glinnemann et al. [Glinnemann J, King H E Jr, Schulz H, Hahn T, La Placa S J and Dacol F 1992 Z. Kristallogr. 198 177–212]. The most striking changes are of inter-tetrahedral O–O distances and Si–O–Si angles. The volume of the SiO4^4- tetrahedron decreased by 0.9%（from 0 to 5 GPa）, which suggests that it is relatively rigid.Vibrational models of the quartz modes are identified by visualizing the associated atomic motions. Raman vibrations are mainly controlled by the deformation of the Si O4-4tetrahedron and the changes in the Si–O–Si bonds. Vibrational directions and intensities of atoms in all Raman modes just show little deviations when pressure increases from 0 to 5 GPa.The pressure derivatives（dνi/d P） of the 12 Raman frequencies are obtained at 0 GPa–5 GPa. The calculated results show that first-principles methods can well describe the high-pressure structural properties and Raman spectra of quartz. The combination of first-principles simulations of the Raman frequencies of minerals and Raman spectroscopy experiments is a useful tool for exploring the stress conditions within the Earth.

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.

Ground-State Structure and Physical Properties of NB_2 Predicted from First Principles

Using the newly developed particle swarm optimization algorithm on crystal structural prediction, we predict a new class of boron nitride with stoicMometry of NB2 at ambient pressure, which belongs to the tetragonal 14m2 space group. Then, its structure, elastic properties, electronic structure, and chemical bonding are investigated by first-principles calculations with the density functional theory. The phonon calculation and elastic constants confirm that the predicted NB2 is dynamically and mechanically stable, respectively. The large bulk modulus, large shear modulus, large Young＇s modulus, and small Poisson＇s ratio show that the 14m2 NB2 should be a new superhard material with a calculated theoretical Vickers hardness value of 66 GPa. Further analysis on density of states and electron localization function demonstrate that the strong B B and 13 N covalent bonds are the main reason for its high hardness in 14m2 NB2.

Electronic Structure and Optical Properties in Uranium Dioxide:the First Principle Calculations

We report a study of the electronic structure and optical properties of uranium dioxide （U02） based on the ab-initio density-functional theory and using the generalized gradient approximation. To correctly describe the strong correlation between 5 f electrons of a uranium atom, we employ the on-site Hubbard U correction term and optimize the correlation parameter of the bulk uranium dioxide. Then we give the structural and electronic properties of the ground state of uranium dioxide. Based on the accurate electronic structure, we calculate the complex dielectric function of UO2 and the related optieM properties, such as reflectivity, refractive index, extinction index, energy loss spectra, and absorption coefficient.

THE THEORY OF STATIC DECAY IN COMPUTATIONAL MECHANICS

In this paper, a new mathematical form, matrix, continued fraction (MCF) is introduced to describe the decay of effects of an equilibrant system of forces acting on a sphere of an elastic body. By this way, the famous Saint-Venant's principle is proved often but not always valid in computational mechanics.

First Principles Study of Structural Stability and Magnetic Property of Non-equilibrium Co–Mo Alloys

First principles calculations are carried out to investigate the structural stability of several non-equilibrium intermetallic phases in the cobalt（Co）–Mo system using spin polarized projected augmented-wave potentials. It is revealed that the Co3Mo, CoMo, and CoMo3 alloys are energetically favored to be in D019, B11, and A15 structures, respectively,and that the magnetic moments of Co atoms would decrease rapidly with an increasing percentage of Mo content and would most probably disappear when the content of Mo is no less than 50 at%. Generally, the calculated results in the present work match well with the available experimental observations.

Formation Principles of Similar Systems

In this paper some new concepts, i.e, Ordered Structure of Systems, Universal Information, Strength of Information Field are proposed. Based on Similarity System Theory and Similology, five principles for investigating similarity formation, i.e., Principle of Ordered Structue, Information Principle, Consanguining Principle, Coadaptation Principle and Governing Principle are introduced. The origin of similar systems, and way of similarity formation are expounded. Thus, formation principles of similar systems is presented.