Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations

By molecular dynamics simulations employing an embedded atom method potential,we have investigated structural transformations in single crystal Al caused by uniaxial strain loading along the [001],[011] and [111] directions. We find that the structural transition is strongly dependent on the crystal orientations. The entire structure phase transition only occurs when loading along the [001] direction,and the increased amplitude of temperature for [001] loading is evidently lower than that for other orientations. The morphology evolutions of the structural transition for [011] and [111] loadings are analysed in detail. The results indicate that only 20% of atoms transit to the hcp phase for [011] and [111] loadings,and the appearance of the hcp phase is due to the partial dislocation moving forward on {111} fcc family. For [011] loading,the hcp phase grows to form laminar morphology in four planes,which belong to the {111} fcc family; while for [111] loading,the hcp phase grows into a laminar structure in three planes,which belong to the {111} fcc family except for the (111) plane. In addition,the phase transition is evaluated by using the radial distribution functions.     

非定常Navier-Stokes方程基于完全重叠型区域分解的有限元并行算法

基于完全重叠型区域分解技巧,提出三种求解非定常Navier-Stokes方程的有限元并行算法.其基本思想是首先对空间施行完全重叠区域分解,然后各个处理器使用向后Euler格式独立并行求解关于时间t的常微分方程;对于非线性的对流项,分别采用半隐格式和全隐格式进行处理.算法中每个处理器所负责的子问题是一个全局问题,它定义在整个求解区域上,但绝大部分自由度来自其所负责的子区域,从而使得算法实现简单,通信需求少.数值算例验证了算法的有效性及其良好的并行性能.     

曲率相关的爆轰波在非结构四边形网格上的数值方法

假设爆轰波阵面的法向速度是曲率的线性函数,在非结构四边形网格上采用水平集方法模拟爆轰波阵面的运动过程.水平集方程的曲率无关项采用正格式离散,曲率项采用伽辽金等参有限元方法空间离散,时间离散采用半隐格式.在笛卡儿网格和随机网格上,含曲率的水平集方程的离散格式为强一阶精度,重新初始化方程的离散格式精度为近似一阶精度.曲率收缩的不光滑界面和多个爆轰波阵面相互作用的算例说明格式可有效地模拟爆轰波与曲率相关的运动.     

Low-temperature liquid phase deposited TiO2 films on stainless steel for photogenerated cathodic protection applications

The low-temperature synthesis of anatase TiO₂ films was an imperative requirement for their application to corrosion prevention of metals. In this paper, a liquid phase deposition (LPD) technique was developed to prepare TiO₂ films on SUS304 stainless steel (304SS) at a relatively low temperature (80 °C). The as-prepared films were characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy and X-ray photon spectroscopy (XPS). It was observed that a dense and crack-free anatase TiO₂ film with a thickness about 300 nm was obtained. The film contained some fluorine and nitrogen elements, and the amounts of these impurities were greatly decreased upon calcination. Under the white light illumination, the electrode potential of TiO₂ coated 304SS rapidly shifted to a more negative direction. Moreover, the photopotential of TiO₂/304SS electrode showed more negative values with increased film thickness. In conclusion, the photogenerated cathodic protection of 304SS was achieved by the low-temperature LPD-derived TiO₂ film.     

Preparation of a novel Ni/Co-based alloy gradient coating on surface of the crystallizer copper alloy by laser

A high wear-resistant gradient coating made of Ni/Co-based alloys on the surface of a Cu alloy substrate was synthesized using a YAG laser induced in situ reaction method. The coating consists of three layers: the first is a Ni-based alloy layer, the second and third are Co-based alloy layers. The microhardness increases gradually from 98 HV in the Cu alloy substrate to the highest level of 876 HV in the third layer. The main phase of the Co-based alloy layer is CoCr₂(Ni,O)₄, coexisting with the Fe₁₃Mo₂B₅, Cr(Co(Mo, and FeCr_0.29Ni_0.16C_0.06 phases. Wear tests indicate that the gradient coating has good bond strength and wear properties with a wear coefficient of 0.31 (0.50 for the Cu alloy substrate). Also, the wear loss of the coating is only 0.01 g after it has been abraded for 60 min, which is only one fifth of that of the Cu alloy of the crystallizer. Wear tests of the gradient coating reveal good adhesive friction and wear properties when sliding against steel under dry conditions. This novel technique may have good application to make an advanced coating on the surface of the Cu alloy crystallizer in a continuous casting process.     

Ballistic phonon transport through a Fibonacci array of acoustic nanocavities in a narrow constriction

We investigate the ballistic phonon transport through a Fibonacci array of acoustic nanocavities in a narrow constriction of a semiconductor nanowire at low temperatures. It is found that the transmission spectrum of such a system consists of quasiband gaps and narrow resonances caused by the coupling of phonon waves. Both phonon transmission and thermal conductance exhibit the similarity due to the Fibonacci sequence structure. The similarity is sensitive to the number n and parameters of nanocavities. The results are compared with those in a periodic acoustic nanocavities.     

Generalized equation for describing the magnetization in spoiled gradient-echo imaging

The purpose of this study was to demonstrate a generalized equation for describing the magnetization in spoiled gradient-echo (SPGR) imaging in which the in-pulse relaxation and magnetization transfer (MT) effects are taken into account. First, the time-dependent Bloch equations for the two-pool exchange model with MT effect were reduced to an inhomogeneous linear differential equation, and then a simple equation was derived to solve it using a matrix operation. Second, the equations describing the magnetization before and after the radiofrequency (RF) pulse were derived based on the above solution for the RF-pulse excitation and evolution phases. Finally, a generalized equation describing the steady-state magnetization was derived. The validity of this equation was investigated by comparing with the transverse magnetization obtained by the regular Ernst equation and analytical solution in which the in-pulse transverse relaxation is considered. When the same assumption was made in our method, there were good agreements between them, indicating the validity of our method. The in-pulse transverse and longitudinal relaxations decreased the transverse magnetization compared to the case in which these effects were neglected, whereas MT increased it. In conclusion, we derived a generalized equation for describing the magnetization in SPGR imaging. This equation will provide a suitable basis for understanding the signal intensity in SPGR imaging and/or T₁ measurement using an SPGR sequence in cases in which the effect of in-pulse relaxation and/or MT cannot be neglected.     

The magnetocaloric effect in Nd(Co1−xFex)12B6 alloys

The first-order phase transitions in NdFe₁₂B₆ and PrFe₁₂B₆ alloys give rise to giant values of magnetic entropy changes in relatively low field. However, the metastable nature of these alloys associates with a special procedure of preparation and considerable amount of impurities inevitably. By alloying NdFe₁₂B₆ with the iso-structural compound of NdCo₁₂B₆ appropriately, a Nd(Co_1−xFe_x)₁₂B₆ system which possesses the stable SrNi₁₂B₆-type structure can be obtained directly via the standard casting-and-annealing method. Remarkably improved thermal and magnetic reversibility are observed in the present system. The second-order phase transitions in NdCo₁₂B₆ alloy give rise to the relative cooling power, which is comparable with that of NdFe₁₂B₆ alloy around the ordering temperature.     

Dynamic phase transitions in the kinetic spin-1 Blume-Capel model on the Bethe lattice

The stationary states of the kinetic spin-1 Blume-Capel (BC) model on the Bethe lattice are analyzed in detail in terms of recursion relations. The model is described using a Glauber-type stochastic dynamics in the presence of a time-dependent oscillating external magnetic field (h) and crystal field (D) interactions. The dynamic order parameter, the hysteresis loop area and the dynamic correlation are calculated. It is found that the magnetization oscillates around nonzero values at low temperatures (T) for the ferromagnetic (F) phase while it only oscillates around zero values at high temperatures for the paramagnetic (P) phase. There are regions of the phase space where the two solutions coexist. The dynamic phase diagrams are obtained on the (kT/J,h/J) and (kT/J,D/J) planes for the coordination number q=4. In addition to second-order and first-order phase transitions, dynamical tricritical points and triple points are also observed.     

抑制高阶谐波误差的随机相移条纹分析算法

高阶谐波和随机相移误差是影响条纹分析精度的主要因素。为了同时解决这两个问题,提出了基于频域滤波的迭代相移算法。该算法采用巴特沃斯低通滤波器,从频域上滤除条纹的高阶谐波分量,再运用最小二乘迭代方法从三帧随机相移条纹图像中提取相位信息。数值模拟和实验结果表明,该算法可有效地抑制由高阶谐波和随机相移引入的波纹误差,误差PV值和RMS值分别为0.368 8 rad和0.025 3 rad,其精度高于传统的三步相移算法和Wang算法。该方法适合于高精度干涉测量和三维物体表面轮廓测量。