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91.
Maria E. Amato Antonio Grassi Kenny B. Lipkowitz Giuseppe M. Lombardo Giuseppe C. Pappalardo Claudia Sadun 《Journal of Inorganic and Organometallic Polymers and Materials》1996,6(3):237-253
Suitable parameter sets for the CHARMm force field were derived for the structural units in polychlorophosphazene [P=N, P N, P Cl] using the Dinur Hagler energy second derivative procedure based on quantum mechanical SCI calculations using the 6–31G* basis set. To validate the reliability of the parameter set, structural results obtained with CHARMm for the adopted model compounds (OP2NCl5 and OP3N2Cl5) were compared with those derived fromab initio quantum mechanics using the 6–31G* basis set. Application of molecular dynamics (MD) simulations in combinatioin with the available X-ray diffraction data provided structural and conformational information on the polymer. The calculation made using the periodic boundary conditions (PBC) agree well with the polychlorophosphazene ordered in a monoclinic unit cell (a=5.98,b=12.99,c=4.92 A; β=111.7). This model was stabilized mainly by the image atoms contribution to the electrostatic energy term and had aquasi-planar conformation of the backbone chain (glide symmetry). The MD calculations also provided evidence that the difference between single and double PN bonds is less marked than that measured experimentally. This result is, however, in agreement with more recent and accurate X-ray studies on poly(methylphosphazene). Validation of the polymer model provided a complete picture, otherwise experimentally inaccessible, of the internal fluctuations of the polymeric chains. 相似文献
92.
A mixed-potential integral equation (MPIE) is formulated for the electric and magnetic currents on a multilayered aperture-coupled patch antenna. The integral equation is solved via the method of moments (MoM) using subsectional basis functions that allow the analysis of nonrectangular aperture and patch shapes. The input impedance and radiation efficiency of various aperture-coupled elements are calculated using the proposed technique and compared to measured results. The advantages and disadvantages of several aperture and patch configurations are discussed, and six methods of numerically de-embedding the element's input impedance are compared 相似文献
93.
介绍了非稳态法测试液体在低温下(-100~50℃)的热导率的测试原理、方法,测试了全氟三乙胺的低温热导率。为了提高测试的重复性,采用了相对比较法,并给出了测试装置及测试结果和误差分析。 相似文献
94.
Wrinkling is a well known phenomenon experimented by tension membranes in Civil Engineering applications. This paper will
present an efficient numerical technique for the computational simulation of such wrinkles in a prestressed membrane. In particular,
the relaxed energy approach (Pipkin in IMA J Appl Math 36:85–99, 1986) is particularized for prestressed membranes (Gil in
Textile composites and inflatable structures, CIMNE, 2003) undergoing moderate strains. Wrinkling conditions in terms of the
Euler-Lagrange finite deformation tensor along principal directions will be obtained. This will provide a framework to describe
properly the initial instant when wrinkles start to be encountered in a prestressed Saint Venant–Kirchhoff hyperelastic membrane.
Subsequently, a modified Helmholtz’s free energy functional will be introduced with the purpose of describing the modified
constitutive behaviour of the continuum after the onset of wrinkling. Consistent derivations of the stress tensor as well
as the constitutive tensor will de depicted. The results will be particularized for membranes and cables in a Finite Element
discretization basis. Some numerical examples will prove the accuracy and robustness of the described algorithm. 相似文献
95.
96.
97.
Antonio J. Pérez-López José Manuel López-Nicolás Angel A. Carbonell-Barrachina 《European Food Research and Technology》2007,225(2):255-260
Consumers demand organic products because they believe that the organic products are more flavorful and respectful to the
environment and human health. The effects of organic farming on the minerals contents and aroma composition of Clemenules
mandarin juices were studied. Minerals (Fe, Cu, Mn, Zn, Ca, Mg, K, and Na) were quantified using atomic absorption-emission
spectroscopy, while volatile compounds were extracted using the dynamic headspace technique and were identified and quantified
by GC–MS. In general, organic farming produced a mandarin juice with a higher quality than that produced by conventional agricultural
practices. Higher concentrations of both minerals and positive volatile compounds were found in the organic juice, while the
formation of off-flavors was higher in the conventional juice, although threshold values were not reached. 相似文献
98.
节理岩体的代表单元集合体模型及弹性参数预测 总被引:8,自引:0,他引:8
本文明确提出了节理岩体“代表单元集合体”的概念和模型,通过对节理岩体的“代表单元集合体”进行数值模拟,研究了节理岩体的“代表单元集合体”的变形特性,建立了节理岩体的弹性模型,提出了预测节理岩体宏观等效弹性参数的计算机模拟方法,并将其应用于岩体工程稳定性分析中。 相似文献
99.
100.
V. Recarte R. B. Pérez-Sáez J. San Juan E. H. Bocanegra M. L. Nó 《Metallurgical and Materials Transactions A》2002,33(8):2581-2591
The martensitic transformation temperatures and the types of martensitic phases have been determined in a wide concentration
range of technological interest for Cu-Al-Ni shape-memory alloys (SMAs) A stability diagram of martensitic phases as a function
of alloy concentration has been determined. It is found that when the aluminum content increases, the transformation changes
from β
3 ⇒ β′3 to β
3 ⇒ γ′3, with an intermediate concentration range where both martensites coexist due to a β
3 ⇒ γ′3+β′3 transformation. On the other hand, an increase of nickel content stabilizes the martensite β′3, changing from a mixed β
3 ⇒ γ′3 + β′3 to a single β
3 ⇒ β′3 transformation. Furthermore, linear relationships between M
s
and Al and Ni concentrations have been obtained for all types of martensitic phases. 相似文献