炸药条加载圆柱壳的数值模拟（Ⅰ）：流固耦合模拟

 对炸药条加载圆柱壳模拟X射线力学效应的试验进行了流固耦合数值模拟。首先建立了包括圆柱壳、两层缓冲橡胶、炸药条和空气在内的二维数值模型,其中,两层橡胶采用Ogden超弹性本构模型描述,炸药条及其爆轰产物采用高能炸药燃烧（High Explosive Burn）模型和JWL状态方程描述,空气采用多项式状态方程描述。然后采用多物质ALE流固耦合算法进行计算,获得了爆炸加载的物理图像、载荷传递与结构响应。结果表明,采用19条炸药条加载265 mm的圆柱壳模拟X射线余弦载荷作用,特征点应力响应基本等效;试验附加的两层橡胶对结构响应特征具有影响,在壳体质量较小和（或）刚度较低的情况下,紧密粘接会引起结构响应失真。     

食品微生物对超高压处理的逆境响应

 超高压（High Hydrostatic Pressure,HHP）作为一种非热杀菌技术,在食品工业中有着很广泛的应用,与传统的热加工处理相比,在保持食品品质、杀菌、钝酶等方面都有其明显的优势。通过对国内外相关文献的分析,对HHP处理后处于亚致死状态食品微生物的细胞膜、遗传与结构物质、机体代谢等方面,以及大部分食品微生物在应对外界的多种刺激时而进行的普遍性调控机制的研究进行了总结,探讨了经过HHP处理后处于亚致死状态的食品微生物在逆境下存活的应激反应。     

基于模式识别技术的色貌模型评价研究

选用Munsell新标数据集,采用基于模式识别技术的圆度、色相角偏差、明度线性度与空间投影点聚集度四个指标来分别评价目前八个典型色貌模型在彩度均匀性、色相预测准确性、明度均匀性、颜色的空间再现的能力。结果表明,不同的色貌模型在四个方面的颜色再现性上表现出不同的优势。八个色貌模型对彩度预测最好的是RLAB,每个色貌模型对红色和绿色预测比较好,CAM02在色相预测整体上占优势;明度的均匀性预测都比较好,尤其是CIELAB;LLAB的颜色的空间再现能力最好。     

硫脲21A激发态扭曲几何结构的共振拉曼光谱和理论研究

获得了硫脲在水和乙腈溶液中A吸收带的共振拉曼光谱,通过B3LYP/6-311++G(3df,3pd)和RCIS/6-311++G(3df,3pd)分别对硫脲的电子跃迁和2¹A 激发态鞍点结构进行了研究．对共振拉曼光谱进行了归属,并通过含时波包理论对吸收光谱和共振拉曼光谱进行拟合,结果表明硫脲动态结构特征主要沿着：C=S伸缩振动ν₆(|△|=0.95)、H₅N₃H₆+H₈N₄H₇弯曲振动ν₅(|△|=0.19)、NCN对称伸缩振动+C=S伸缩振动+N₃H₆+H₈N₄弯曲振动ν₄(|△|=0.18)．ν₁₅倍频2ν₁₅和4ν₁₅强度主要归因于ν₁₅激发态频率的改变而不是简正模位移量的变化．对S=CN₂面外变形振动ν₁₅倍频出现的机理进行了探究,结果表明Franck-Condon区域势能面鞍点是标准A项共振拉曼散射里的二次声子机制的驱动力,导致碳原子中心的锥形化,并使硫脲在2¹A激发态发生几何结构扭曲.     

Modulation of absorption and fluorescence of photochromic diarylethene by intramolecular hydrogen bond

Photochromic diarylethenes bearing an intramolecular hydrogen bond in bridge moiety have been prepared. It is found that intramolecular hydrogen bonding has a great effect on both absorption and fluorescence of diarylethenes. The color change of diarylethenes in a wide range (purple, blue and green) can be achieved by simple modification of the electronic properties of substituents in bridge moiety, and fluorescent diarylethenes are also obtained when diarylethenes bear an intramolecular hydrogen bond in bridge moiety. Copyright © 2011 John Wiley & Sons, Ltd.     

Hcp-icosahedron structural transformation induced by the change in Ag concentration during the freezing of （CoAg）561 clusters

The synergy effect of alloy elements in bimetallic clusters can be used to tune the chemical and physical properties. Research on the influences of alloy concentration and distribution on the frozen structure of bimetallic clusters plays a key rolc in exploring new structural materials. In this paper, we study the influence of Ag concentration on the frozen structure of the （AgCo）561 cluster by using molecular dynamics simulation with a general embedded atom method. The results indicate that tt~e structure and chemical ordering of the （AgCo）561 cluster are strongly related to Ag concentration. Hcp-icosahedron structural transformation in the frozen （CoAg）561 cluster can be induced by changing Ag concentration. The chemical ordering also transforms to Janus-like Co Ag from core-shell Co-Ag.     

The stabilities, electronic structures and elastic properties of Rbben As systems

The structural, electronic and elastic properties of Rb-As systems (RbAs in NaP, LiAs and AuCu structures, RbAs₂ in the MgCu₂ structure, Rb₃As in Na₃As, Cu₃P and Li₃Bi structures, and Rb₅As₄ in the A₅B₄ structure) are investigated with the generalized gradient approximation in the frame of density functional theory. The lattice parameters, cohesive energies, formation energies, bulk moduli and the first derivatives of the bulk moduli (to fit Murnaghan's equation of state) of the considered structures are calculated and reasonable agreement is obtained. In addition, the phase transition pressures are also predicted. The electronic band structures, the partial densities of states corresponding to the band structures and the charge density distributions are presented and analysed. The second-order elastic constants based on the stress-strain method and other related quantities such as Young's modulus, the shear modulus, Poisson's ratio, sound velocities, the Debye temperature and shear anisotropy factors are also estimated.     

用不同光泽和色差等级的彩色印刷样品检验均匀颜色空间

用不同光泽纸张和不同色差等级彩色印刷样品的目视评价色差数据拟合色度椭圆,研究各均匀颜色空间在评价不同光泽度和色差样本时的表现,检验基于CIELAB,DIN99,OSA和CIECAM02共7个颜色空间的均匀性。用局部均匀性和全局均匀性因子分别检验不同颜色空间色度椭圆的椭圆度和空间中不同位置椭圆尺寸的一致性。结果表明,其他所有颜色空间的表现均优于CIELAB和OSA颜色空间,OSA-Gp-Eu和DIN99d颜色空间在评价印刷品颜色差异的表现上较为接近,同时优于其他的颜色空间。     

低光泽度印刷色谱色貌数据组的建立与评价

色貌预测是现代颜色科学领域的基本理论和技术。为了评价低光泽度彩色印刷色谱的色貌,以丽印胶版纸印制的彩色印刷色谱为研究对象,根据颜色科学和心理物理学相关实验,建立其色貌参数样本数据组。采用相对系数R2和差异系数CV等数理统计方法,评价这种印刷色谱中Y-M内页在三种不同的照明光源下色貌的视觉评估结果。实验数据分析表明,在D65、A和TL84三种光源中,人眼在A光源下对颜色的识别能力明显不同于D65和TL84光源;同样在这三种光源中人眼对明度和色调的评估准确度最高,彩度最差。     

三维显示中基于彩色叠栅条纹的视差障栅参数设计

为确定三维显示中视差障栅(PB)的最优参数,提出一种基于彩色叠栅条纹的PB参数设计方法。液晶显示器(LCD)和PB简化为相应参数的黑白光栅模型,而具有特定参数的特定辐射光栅作为周期和倾角变化的PB模型,通过序数方程和傅里叶分析方法分析特定辐射光栅和LCD单色等效黑白光栅的叠加图样,由此推断出不同PB周期的低频主导条纹频率组项,然后利用傅里叶理论的部分和提取方法(PSE)分析不同PB周期的低频主导叠栅条纹的强度轮廓,得出PB的最佳节距和相应倾斜角度。实验结果表明,所设计的PB三维显示系统没有出现降低像质的叠栅条纹,具有较好的三维显示效果。