Predictions of pressure-induced structural transition,mechanical and thermodynamic properties of α-and β-Si₃N₄ ceramics:ab initio and quasi-harmonic Debye modeling

The plane-wave pseudo-potential method within the framework of ab initio technique is used to investigate the structural and elastic properties of α-and β-Si3N4.The ground-state parameters accord quite well with the experimental data.Our calculation reveals that α-Si3N4 can retain its stability to at least 40 GPa when compressed at 300 K.The α→β phase transformation would not occur in a pressure range of 0-40 GPa and a temperature range of 0-300 K.Actually,the α→β transition occurs at 1600 K and 7.98 GPa.For α-and β-Si3N4,the c axes are slightly more incompressible than the a axes.We conclude that β-Si3N4 is a hard material and ductile in nature.On the other hand,β-Si3N4 is also found to be an ionic material and can retain its mechanical stability in a pressure range of 0-10 GPa.Besides,the thermodynamic properties such as entropy,heat capacity,and Debye temperature of α-and β-Si3N4 are determined at various temperatures and pressures.Significant features in these properties are observed at high temperature.The calculated results are in good agreement with available experimental data and previous theoretical values.Many fundamental solid-state properties are reported at high pressure and high temperature.Therefore,our results may provide useful information for theoretical and experimental investigations of the Si3N4 polymorphs.     

聚碳硅烷热解SiC陶瓷结构与微波吸收性能

以聚碳硅烷(PCS)为原料,通过800-1200℃热解制备了PCS-SiC陶瓷,采用SEM、XRD与拉曼光谱对样品形貌、晶相及自由碳结构进行了表征。测量了样品直流电导率,并用矩形波导法测试了试样在8.2-12.4 GHz(X波段)频率范围的复介电常数,根据传输线理论计算出不同厚度材料的反射损耗。结果表明,随着热解温度的升高,样品电导率升高,同时复介电常数实部与虚部增加,吸波性能得到改善。PCS-SiC陶瓷中自由碳石墨化是引起极化能力及电导损耗提高的原因。     

扫描质子微探针质子束刻写

质子束刻写技术利用MeV能量的聚焦质子束对抗蚀剂材料直接刻写m甚至nm尺度微结构。研究了质子束刻写中抗蚀剂胶层样品厚度与涂层机旋转速度的关系以及曝光对抗蚀剂的影响,解决了质子束刻写中抗蚀剂厚胶层样品的制备、固化、显影等技术问题,利用扫描质子微探针系统,在正型抗蚀剂胶层上刻写出m尺度的海宝图形、 双矩形结构,在负型抗蚀剂上刻写出m尺度的平行线条、十字形微结构。     

线性荷载作用下外简支环板的极限荷载分析

对于线性荷载作用下外简支环板,引入统一强度理论,进行了极限荷载分析。并分别求出了两种特殊形式的线性荷载作用下的极限荷载统一解,得出参数b值及材料的拉压比α对极限荷载的影响曲线。统一强度理论中,选择不同的参数b,可以得到一系列不同的屈服准则,不同的b值可以对应不同的工程材料,其中b=0和b=1分别给出了下限解和上限解。工程实际中,α可根据实际材料的拉压强度直接确定。当α=1时,统一强度理论适用于拉压强度相同的材料,当a≠1时,适用于拉压强度不同的材料。因此文中所给出的解可以灵活应用于各种性能的材料,可以充分反映材料的SD效应及中间主应力效应。已有的Tresca准则,Mises准则,双剪应力屈服准则以及双剪统一屈服准则的解答均为本文解答的特例或线性逼近。     

片状热容激光器热效应有限元分析

 基于激光介质的非均匀内热源模型,利用有限元数值方法,模拟计算了热容模式下高功率激光二极管阵列(LDA) 重复脉冲泵浦片状激光介质的瞬态温度分布和热应力分布及其波前畸变和应力双折射。结果表明:热容模式下,当增益介质不能够被全口径泵浦时,也会出现严重的热效应,介质的表面靠近边缘处会出现大的拉应力集中,介质表面的最大轴向位移和最大拉应力随泵浦光斑尺寸缩小而增大;而当全口径泵浦时,介质表面热形变大大减弱,较小的拉应力存在于介质内部,而且泵浦光斑和介质的几何形状对热分布有很大影响。结果还表明,介质片表面变形和热光效应是产生波前畸变的主要原因,而热应力双折射产生的附加相移与激光介质的切割方向有关,它对光束产生较大的退偏作用,从而影响激光器的输出性能。理论模型得到了实验结果的验证。     

级联菲涅尔衍射光学图像安全系统

计算机模拟验证了系统用于光学图像加密和隐藏的可行性.理论分析揭示了本系统面向应用的三个性质：相位分布的台阶数可以作为系统设计的自由度;增加系统衍射级次可以提高秘密图像的解密质量,但此时系统受到波长微变的影响也较显著;轴向位移也会产生噪音信号,其衍射距离越长,解密质量越差.     

Electron dynamics of molecular frustrated double ionization driven by strong laser fields

We theoretically investigate the frustrated double ionization(FDI) of molecules with different alignment-dependence using a three-dimensional classical ensemble method. The numerical results show that the FDI probability decreases with increasing wavelength, which is similar to the wavelength dependence of the FDI probability of atoms. Tracing the classical trajectories reveals that the contributions to molecular FDI from single-recollision and multiple-recollision mechanisms are equal in the sh...