Sc在L1_0-TiAl金属间化合物中占位的理论研究

基于密度泛函理论,运用第一原理赝势平面波方法,采用CASTEP量子力学能量软件包研究了Sc占据Ti位与Sc占据A l位的超胞晶格常数、原子形成热、超胞总态密度与电子密度差分图,两种情况对比下,在L10-TiA l合金中,Sc优先占据Ti位,这一结论为进一步研究三元系TiA l-Sc合金提供了理论研究的基础。

Structural model for the first wall W-based material in ITER project

The preparation, characterization, and test of the first wall materials designed to be used in the fusion reactor have remained challenging problems in the material science. This work uses the firstprinciples method as implemented in the CASTEP package to study the influ ences of the doped titanium carbide on the structural sta bility of the WTiC material. The calculated total energy and enthalpy have been used as criteria to judge the structural models built with consideration of symmetry. Our simulation indicates that the doped TiC tends to form its own domain up to the investigated nanoscale, which implies a possible phase separation. This result reveals the intrinsic reason for the composite nature of the WTiC material and provides an explanation for the experimen tally observed phase separation at the nanoscale. Our approach also sheds a light on explaining the enhancing effects of doped components on the durability, reliability, corrosion resistance, etc., in many special steels.

Mechanical properties of U-0.95 mass fraction of Ti alloy quenching and aging treatment:a first principles study

First principles plane wave pseudopotential method was executed to calculate the mechanical properties with respect to the uranium-0.95 mass fraction of titanium （U-0.95 mass fraction of Ti） alloy for quenching and aging, including the elastic modulus, the value of shear modulus to bulk modulus （G/B） and the ideal tensile strength. The further research has also been done about the crack mechanism through Griffith rupture energy. These results show that the elastic moduli are 195.1 GPa for quenching orthorhombic ~ phase and 201.8 GPa for aging formed Guinier-Preston （G.P） zones, while G/B values are 0.67 and 0.56, respectively. With the phase change of uranium-titanium （U-Ti） alloy via the quenching treatment, the ideal tensile strength is diverse and distinct with dif- ferent crystal orientations of the anisotropic ~ phase. Comparison of quenching and short time aging treatment, both of the strength and toughness trend to improve slightly. Further analysis about electronic density of states （DOS） in the electronic scale indicates that the strength increases continuously while toughness decreases with the aging proceeding. The equilibrium structure appears in overaging process, as a result of decomposition of metastable quenching 7 phase. Thereby the strength and toughness trend to decrease slightly. Finally, the ideal fracture energies of G.P zones and overaging structure are obtained within the framework of Griffith fracture theory, which are 4.67 J/m2 and 3.83 J/m2, respectively. These results theoretically demonstrate strengthening effect of quenching and aging heat treatment on U-Ti alloy.

Comparison of the Fabric Mechanical Properties Measured by the KESF and FAST Systems

In order to clarify the connections and differences be.tween KES- F and FAST, fifteen polyester- based fab-rics were selected and the experiments were strictly mea-sured. The test results between the two systems in termsof mechanical properties were compared, and highly sig-nificant correlation between two systems were obtaineddespite some considerable differences in the measurementprinciples of KES - F and FAST systems.

Stochastic optimal control of cable vibration in plane by using axial support motion

A stochastic optimal control strategy for a slightly sagged cable using support motion in the cable axial direction is proposed. The nonlinear equation of cable motion in plane is derived and reduced to the equations for the first two modes of cable vibration by using the Galerkin method. The partially averaged Ito equation for controlled system energy is further derived by applying the stochastic averaging method for quasi-non-integrable Hamiltonian systems. The dynamical programming equation for the controlled system energy with a performance index is established by applying the stochastic dynamical programming principle and a stochastic optimal control law is obtained through solving the dynamical programming equation. A bilinear controller by using the direct method of Lyapunov is introduced. The comparison between the two controllers shows that the proposed stochastic optimal control strategy is superior to the bilinear control strategy in terms of higher control effectiveness and efficiency.

Compliance-based testing method for fatigue crack propagation rates of mixed-modeⅠ-Ⅱcracks

Mixed-mode I-II crack-based fatigue crack propagation(FCPⅠ-Ⅱ)usually occurs in engineering structures;however,no theoretical formula or effective compliance test methods have been established for FCPI-IIto date.For mixed-mode I-II flawed components,based on the principle of mean-value energy equivalence,we propose a theoretical method to describe the relationship between material elastic parameters,geometrical dimensions,load(or displacement),and energy.Based on the maximum circumferential stress criterion,we propose a uniform compliance model for compact tensile shear(CTS)specimens with horizontal cracks deflecting and propagating(flat-folding propagation)under different loading angles,geometries,and materials.Along with an innovative design of the fixture of CTS specimens used for FCPI-IItests,we develop a new compliancebased testing method for FCPⅠ-Ⅱ.For the 30Cr2Ni4MoV rotor steel,the FCP rates of modeⅠ,modeⅡ,and mixed-modeⅠ-Ⅱcracks were obtained via FCP tests using compact tension,Arcan,and CTS specimens,respectively.The obtained da/d N versusΔJ curves of the FCP rates are close.The loading angleαand dimensionless initial crack length a0/W demonstrated negligible effects on the FCP rates.Hence,the FCP rates of mode I crack can be used to predict the residual life of structural crack propagation.