铜在空气中生成碱式碳酸铜的热力学分析

从热力学角度研究了酸度、湿度、水的存在状态不同时,单质铜在空气中生成碱式碳酸铜的电动势及其自由能变。通过计算发现:在酸性条件下,p H的大小对于反应的自发性没有影响;大气中二氧化碳溶解达到饱和时,空气湿度增加,反应的自发性略微增加;相同条件下,水由气态变为液态时,反应的自发性增幅较大。     

分子动力学模拟冲击波加载下CL-20/BTF共晶的分解

本文采用Reax FF-lg分子反应性力场研究了六硝基六氮杂异伍兹烷(CL-20)和苯并三氧化呋咱(BTF)形成的共晶在冲击波加载下的反应情况。结果发现:冲击波速度为Us=9 km·s-1时,含能分子快速分解。冲击加载在不同方向上时,分解速率不同,冲击波沿X轴方向时分解最快。反应早期主要是N-NO2键的断裂,生成NO2。较大分子质量的团簇会出现在反应前期,随着反应的进行团簇数量增加。整个模拟过程中,主要产物N2的数目有较大波动,28 ps达最大值。冲击波速度对反应后期的影响较小。     

Natural and artificial light-harvesting systems utilizing the functions of carotenoids

Carotenoids are essential pigments in natural photosynthesis. They absorb in the blue–green region of the solar spectrum and transfer the absorbed energy to (bacterio-)chlorophylls, and so expand the wavelength range of light that is able to drive photosynthesis. This process is an example of singlet–singlet energy transfer and so carotenoids serve to enhance the overall efficiency of photosynthetic light reactions. Carotenoids also act to protect photosynthetic organisms from the harmful effects of excess exposure to light. In this case, triplet–triplet energy transfer from (bacterio-)chlorophyll to carotenoid plays a key role in this photoprotective reaction. In the light-harvesting pigment–protein complexes from purple photosynthetic bacteria and chlorophytes, carotenoids have an additional role, namely the structural stabilization of those complexes. In this article we review what is currently known about how carotenoids discharge these functions. The molecular architecture of photosynthetic systems will be outlined to provide a basis from which to describe the photochemistry of carotenoids, which underlies most of their important functions in photosynthesis. Then, the possibility to utilize the functions of carotenoids in artificial photosynthetic light-harvesting systems will be discussed. Some examples of the model systems are introduced.     

随机结构正交展开分析的Ritz动力聚缩法

针对随机结果正交展开理论计算上的弱点 ,本文在分析扩阶矩阵特性的基础上 ,于 Ritz模态向量子空间中对扩阶方程实现动力聚缩 ,大大提高了正交展开理论对实际工程问题的分析能力。分析实例表明 :即使结构参数具有很大变异性 (如δ =0 .4 )时 ,该算法依然能理想地与 Monte Carlo法模拟结果相吻合 ,计算时间则远远小于 Monte Carlo模拟法。同时 ,分析例证再一次强化了在结构动力分析中考虑结构参数随机性的必要性     

应用分区非线性变分原理的杂交薄壳单元

本文讨论了高次杂交壳体元在材料非线性分析中的应用，为了更精确估计单元内各部分应力的不同影响，本文应用了分区非线性变分原理推导出杂交壳元在应力增量下应用初始应力法的失衡节点力，这使得高次杂交元在非线性分析中的优点得以充分的发挥，从而大大提高了计算精度。     

Characterization of different substrates for Raman spectroscopic imaging of eukaryotic cells

For Raman spectroscopic analyses of the cells and other biological samples, the choice of the right substrate material is very important to avoid loss of information in characteristic spectral features because of competing background signals. In the current study, Raman spectroscopy is used to characterize several potential Raman substrates. Raman vibrational bands of the substrate material are discussed. The surface topography is analyzed by atomic force microscopy, and the root mean square surface roughness values are reported. Biocompatibility of the substrates is tested with Hep G2 cells evaluating cellular morphology as well as live/dead staining. Calcium fluoride, silicon, fused silica, borofloat glass, and silicon nitride membranes support cell growth and adherence. Silicon, borofloat glass, and fused silica give rise to Raman signals in the region of interest. Calcium fluoride substrate (UV grade) is suitable for Raman spectroscopic investigation of living cells. Nickel foil is suitable substrate for Raman spectroscopic investigation but cellular adherence and viability depend on the quality of the foil. Silicon nitride membranes coated with nickel chrome is a suitable Raman substrate in closed microfluidic systems. Copyright © 2016 John Wiley & Sons, Ltd.     

Equivariant Sternberg–Chen Theorem

Smooth (C ) vector fields with linear symmetries and anti-symmetries are considered. We prove that provided symmetry group is compact then a smooth conjugacy in Sternberg–Chen Theorem can be chosen symmetric.     

涉及肌肉作用影响的髓内钉屈曲分析

在骨折的修复过程中，常发生髓内钉断骨内的情况。其主要原因是涉及肌肉影响后，髓内钉不是单钝的受压杆件，而是多种组合变形的屈曲问题。文中利用有限元法对目前较新结构的髓内钉在骨折治疗中涉及肌肉作用影响进行多方面的压、弯曲与扭转组合变形屈曲分析。得出了三叶瓣型髓内钉在涉及肌肉影响时的屈曲临界压力比单纯受压时髓内钉的屈曲临界压力小51％。并得出髓内钉只能额外承受15Nm左右的外来扭力。这些结果可供髓内钉进一步发展及临床应用参考。通过有限元的分析还可以对髓内钉受力状态的薄弱环节有一个全面的认识，为髓内钉合理设计、材料的选择等进行优化设计提供依据。     

Explicit integration of one problem of motion of the generalized Kowalevski top

In the problem of motion of the Kowalevski top in a double force field the four-dimensional invariant submanifold of the phase space was pointed out by [Kharlamov, M.P., 2002. Mekh. Tverd. Tela 32, 33–38]. We show that the equations of motion on this manifold can be separated by the appropriate change of variables, the new variables s₁, s₂ being elliptic functions of time. The natural phase variables (components of the angular velocity and the direction vectors of the forces with respect to the movable basis) are expressed via s₁, s₂ explicitly in elementary algebraic functions.     

Unique Orbital Normal Form for Vector Fields of Hopf-Zero Singularity

Normal forms for vector fields of Hopf-zero singularity in R³ are studied. Multiple Lie bracket method is used to give unique normal forms under both conjugacy and orbital equivalence for such vector fields with a generic quadratic part.Dedicated to Professor Shui-Nee Chow on the occasion of his 60th birthday.