Phase field simulation of interatomic potentials for double phase competition during early stage precipitation

Phase field model was employed to study the variations of interatomic potentials of Ni 3 Al (L1 2 phase) and Ni 3 V (DO 22 phase) as a function of temperature and concentration. The long-range order (LRO) parameter related interatomic potentials equations formulated by Khachaturyan were utilized to establish the inversion equations for L1 2 and DO 22 phases, with which interatomic potentials could be calculated. The interatomic potentials of Ni-Al and Ni-V exhibited approximately linear increases and decreases, individually, with enhanced Al concentration. Substituting the inverted interatomic potentials into the microscopic phase field equations led to three cases of precipitation sequence: the DO 22 phase preceded L1 2 phase precipitating at the interatomic potentials of Ni-V > Ni-Al; the vice cases; and two phases precipitated simultaneously at interatomic potentials of Ni-V and Ni-Al were equal.     

The effects of the guide field on the structures of electron density depletions in collisionless magnetic reconnection

Two-dimensional particle-in-cell simulations are performed to investigate the formation of electron density depletions in collisionless magnetic reconnection.In anti-parallel reconnection,the quadrupole structures of the out-of-plane magnetic field are formed,and four symmetric electron density depletion layers can be found along the separatrices due to the effects of magetic mirror.With the increase of the initial guide field,the symmetry of both the out-of-plane magnetic field and electron density depletion layers is distorted.When the initial guide field is sufficiently large,the electron density depletion layers along the lower left and upper right separatrices disappear.The parallel electric field in guide field reconnection is found to play an important role in forming such structures of the electron density depletion layers.The structures of the out-of-plane magnetic field By and electron depletion layers in anti-parallel and guide field reconnection are found to be related to electron flow or in-plane currents in the separatrix regions.In anti-parallel reconnection,electrons flow towards the X line along the separatrices,and are directed away from the X line along the magnetic field lines just inside the separatrices.In guide field reconnection,electrons can only flow towards the X line along the upper left and lower right separatrices due to the existence of the parallel electric field in these regions.     

Understanding atomic-scale phase separation of liquid Fe-Cu alloy

Using liquid Fe 60 Cu 40 alloy as a model, the structure of liquid Fe-Cu alloy systems is investigated in the temperature range 1200 2200 K, covering a large metastable undercooled regime, to understand the phase separation of liquid Fe-Cu alloys on the atomic scale. The total pair distribution functions (PDFs) indicate that liquid Fe 60 Cu 40 alloy is ordered in the short range and disordered in the long range. If the atom types are ignored, the total atom number densities and PDFs demonstrate that the atoms are distributed homogenously in the liquid alloy. However, the segregation of Fe and Cu atoms is very obvious with decreasing temperature. The partial PDFs and coordination numbers show that the Cu and Fe atoms are not apt to get together on the atomic scale at low temperatures; this will lead to large fluctuations and phase separation in liquid Fe-Cu alloy.     

Constitutive modeling for unsaturated soils considering gas hardening effect

The influence of gases on unsaturated soils is discussed in the paper.First,the selection of stress state variables is discussed.It is shown that gas pressure as well as generalized effective stress and modified suction are required to construct a constitutive model of an unsaturated soil.The deformation mechanisms of solid,liquid and gas phases in soils are then investigated.It is realized that the deformation of gas phase interacts with the deformations of the other two phases in soils.Gas laws are used to describe the gas behavior.Similar to the other two phases in soil,the change of gas volume can be divided into an elastic part and a plastic part, and the latter part is then introduced to the soil hardening equation to reflect the impact of the gas on the soil.Then,a simple elasto-plastic model considering the gas effect for isotropic states is developed.Finally,the model predictions are given and compared with existing experimental data.A good agreement between them is found.Comparisons of the predictions between our model and Wheeler’s model are also performed.     

基于组合码字的矢量量化编码算法

传统的矢量量化编码方法总是将待编码矢量以码书中唯一的最匹配码字作为其近似输出矢量,以实现数据压缩的目的.这种方法对远离码字的矢量无法避免显著的误差.本文提出组合编码的矢量量化方法,其思想是对远离码字的矢量进行主辅组合编码,对主码字编码造成的误差通过辅码字加以补偿.实验表明,该方法在很小降低压缩比率的条件下显著提高了矢量编码精度,能够在信号处理等领域发挥有效作用.     

卸载熔化状态铁/蓝宝石界面温度测量及其相变动力学研究

本文主要是研究金属铁经历冲击-卸载到熔化压力区,其内部发生熔化相变时,铁/蓝宝石界面的辐亮度和温度随时间演化特性,发现辐亮度随时间持续增强而界面却经历了一个慢降温过程,该特征与无相变或瞬时相变的热传导模型结论不一致,即无熔化相变或瞬时相变时,界面温度是一个稳定值.本文结合熔化相变动力学模型与热传导方程对实验现象给出一种理论解释.模型计算所给出的温度历史与观测结果一致,由此可以校对其它测量或者计算熔化温度的方法和模型计算的结果,并能够初步限定出该压力下铁的熔化成核速率和径向长大速率.     

相转移催化合成对苯乙炔聚合物发光材料中间体4-丁氧基苯酚的研究（Ⅰ）

 近几年来二烷氧基取代对苯乙炔聚合物(PPV)发光功能材料广泛应用于液晶彩电、电脑等家电和飞机彩色液晶显示屏中,该文研究了利用相转移催化反应在不同的催化剂反应条件下,合成二烷氧基取代对苯乙炔聚合物(PPV)发光功能材料的中间体4-丁氧基苯酚,在氢氧化钠存在下对苯二酚与溴代正丁烷60~65 ℃反应3 h条件下合成4-丁氧基苯酚,产品收率达90%以上。对不同的催化剂的使用和反应时间进行了条件优化,对产品4 丁氧基苯酚的IR谱图、NMR谱图进行了确认和详细的分析。     

含非线性色散项的Kadomtsev Petrishvili方程的破缺行波解

 应用平面动力系统分支理论的方法,在参数平面上给出了含非线性色散项的Kadomtsev Petrishvili方程的行波解的分支相图,从而揭示了其行波解与参数的依赖关系,并获得了该方程的破缺行波解的参数表示。     

铌铁酸铅-钛酸铅铁电陶瓷的结构相变

 通过钨锰铁矿预合成法制备了铌铁酸铅-钛酸铅(1-x)Pb(Fe_1/2Nb_1/2)O₃-xPbTiO₃ (PFN-PT)铁电陶瓷。X-ray衍射（XRD）测量和密度测试表明,1150 ℃烧结2.5 h制备的PFN-PT陶瓷呈现纯钙钛矿结构和较高的致密度。随着PbTiO₃（PT）质量含量的增加,PFN-PT的晶体结构从三方相向四方相转变,伴随着晶胞体积的减小和钙钛矿结构四方性因子（c/a）的增大。PFN-PT陶瓷呈现明显的介电频率色散现象,随着PT含量的增加,介电常数最大值温度T_m/T_C升高,介电响应从弥散、宽化的介电峰变得相对尖锐,介电损耗减小,频率色散现象减弱。MnO₂掺杂有效地改善了PFN-PT陶瓷的介电性能。w=0.25% MnO₂掺杂的0.66PFN-0.34PT陶瓷100 kHz的最大介电常数ε_m为13254,室温介电损耗tanδ为0.003 63,饱和极化强度P_s为6.18μC/cm2,矫顽场E_c为1.1 kV/mm,压电应变常量d₃₃为98pC/N。     

表面等离子共振检测葡萄糖浓度的数据处理方法

根据表面等离子共振(SPR)检测葡萄糖浓度时信号和噪声的特点,研究了寻找曲线最低点算法和基线动态调整方法等SPR数据后处理方法.采用加权质心法精确地捕获到了表面等离子共振曲线的最低点,采用固定计算点数的动态基线法调整基线位置,消除了基线附近点值的波动对测量结果的影响.模拟仿真及实验验证结果表明,采用固定点数的动态基线法和加权质心法处理SPR数据,能显著提高SPR检测葡萄糖的分辨率,在葡萄糖浓度检测技术中有很好的应用前景.