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气相中亮氨酸单体构象的理论研究
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作者 杨忠志 韩雪 《辽宁师范大学学报(自然科学版)》 CAS 2010年第2期185-189,共5页
在密度泛函(DFT)B3LYP/6-311++g(2d,p)水平上,优化了气相中亮氨酸单体的稳定构象,在密度泛函和多体微扰2种理论水平上,分别采用6-311++g(2d,p)和cc-pVQZ基组对单体的稳定构象进行了单点能计算.结果表明:密度泛函理论计算出的2个能量最... 在密度泛函(DFT)B3LYP/6-311++g(2d,p)水平上,优化了气相中亮氨酸单体的稳定构象,在密度泛函和多体微扰2种理论水平上,分别采用6-311++g(2d,p)和cc-pVQZ基组对单体的稳定构象进行了单点能计算.结果表明:密度泛函理论计算出的2个能量最低构象Ⅰb1和Ⅱb1与实验测出的2种构象一致.用QM/MM方法计算了第1种氢键类型下9种构象的构象能,能量最高的Ⅰa3构象比能量最低的Ⅰb1构象的能量高出大约20 kJ/mol,这种能量差异主要是由空间位阻决定的.对Ⅰb1和Ⅱb1构象,采用B3LYP和MP2方法,多种基组进行重新优化,通过比照实验的旋转常数,可以发现Ⅰb1构象用MP2方法优化得到的旋转常数与实验值较接近,而Ⅱb1构象用B3LYP方法优化得到的旋转常数与实验值更接近. 展开更多
关键词 亮氨酸单体 稳定构象 分子内氢键 旋转常数
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潜盾隧道环片设计参数之研究
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作者 王庆麟 姚赐麟 《隧道建设》 2007年第S2期192-196,共5页
潜盾隧道环片设计之合理性,取决于设计参数的选择。这些参数主要包括:静止土压系数K0、土壤劲度Eg、地下水位高度、片间接头旋转弹簧常数Kθ、环间接头剪切弹簧常数Ks等。针对以上五个主要参数,考虑环片错缝拼接效应,以村上博智及小泉... 潜盾隧道环片设计之合理性,取决于设计参数的选择。这些参数主要包括:静止土压系数K0、土壤劲度Eg、地下水位高度、片间接头旋转弹簧常数Kθ、环间接头剪切弹簧常数Ks等。针对以上五个主要参数,考虑环片错缝拼接效应,以村上博智及小泉淳两位教授共同研发的计算机软件MOLEMAN-i,建立三环模式,进行参数敏感度分析,进而得到对环片设计有所帮助的建议。 展开更多
关键词 静止土压系数K0 土壤劲度Eg 旋转弹簧常数 剪力弹簧常数Ks 错缝拼接
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Rotationally symmetric pseudo-Khler metrics of constant scalar curvatures 被引量:2
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作者 DUAN XiaoJuan ZHOU Jian 《Science China Mathematics》 SCIE 2011年第5期925-938,共14页
We study the ordinary differential equations related to rotationally symmetric pseudo-Khler metricsof constant scalar curvatures. We present various solutions on various holomorphic line bundles over projectivespaces ... We study the ordinary differential equations related to rotationally symmetric pseudo-Khler metricsof constant scalar curvatures. We present various solutions on various holomorphic line bundles over projectivespaces and their disc bundles, and discuss the phase change phenomenon when one suitably changes initialvalues. 展开更多
关键词 pseudo-Kahler metrics rotationally symmetric constant scalar curvature phase change
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Numerical Investigation of the Unsteady Tip Leakage Flow and Rotating Stall Inception in a Transonic Compressor 被引量:6
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作者 Yanfeng Zhang Xingen Lu +1 位作者 Wuli Chu Junqiang Zhu 《Journal of Thermal Science》 SCIE EI CAS CSCD 2010年第4期310-317,共8页
It is well known that tip leakage flow has a strong effect on the compressor performance and stability. This paper reports on a numerical investigation of detailed flow structures in an isolated transonic compressor r... It is well known that tip leakage flow has a strong effect on the compressor performance and stability. This paper reports on a numerical investigation of detailed flow structures in an isolated transonic compressor rotor-NASA Rotor 37 at near stall and stalled conditions aimed at improving understanding of changes in 3D tip leakage flow structures with rotating stall inception.Steady and unsteady 3D Navier-Stokes analyses were conducted to investigate flow structures in the same rotor.For steady analysis,the predicted results agree well with the experimental data for the estimation of compressor rotor global performance.For unsteady flow analysis, the unsteady flow nature caused by the breakdown of the tip leakage vortex in blade tip region in the transonic compressor rotor at near stall condition has been captured with a single blade passage.On the other hand, the time-accurate unsteady computations of multi-blade passage at near stall condition indicate that the unsteady breakdown of the tip leakage vortex triggered the short length-scale-spike type rotating stall inception at blade tip region.It was the forward spillage of the tip leakage flow at blade leading edge resulting in the spike stall inception. As the mass flow ratio is decreased,the rotating stall cell was further developed in the blade passage. 展开更多
关键词 transonic axial-flow compressor tip clearance flow stall inception UNSTEADINESS
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Influence of linear birefringence on Faraday effect measurement for optical fibers
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作者 陈黄超 文建湘 +6 位作者 黄怿 东惟龙 庞拂飞 罗艳华 彭纲定 陈振宜 王廷云 《Optoelectronics Letters》 EI 2017年第2期147-150,共4页
The influence of the linear birefringence on magneto-optical property measurement for optical fibers is investigated theoretically and experimentally. The evolution of polarization in fibers is simulated by the Jones ... The influence of the linear birefringence on magneto-optical property measurement for optical fibers is investigated theoretically and experimentally. The evolution of polarization in fibers is simulated by the Jones matrix. To verify this theoretical model, a magneto-optical system is built to measure the input azimuth, output azimuth and ellipticity. The Faraday rotation of spun fibers with different pitches is measured. The Verdet constant increases, while the linear birefringence decreases as the pitch becomes smaller. For spun fibers with 1 mm pitch, the Verdet constant can be enhanced by about 20.7% at 660 nm, compared with that of the unspun fiber. The results indicate that smaller linear birefringence can provide more accurate Faraday rotation measurement. 展开更多
关键词 Faraday rotation magneto azimuth pitch verify elliptical Poincare closer instance
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A Study of Gaugeon Formalism for QED in Lorentz Violating Background
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作者 Mushtaq B.Shah Prince A.Ganai 《Communications in Theoretical Physics》 SCIE CAS CSCD 2018年第2期166-172,共7页
At the energy regimes close to Planck scales, the usual structure of Lorentz symmetry fails to address certain fundamental issues and eventually breaks down, thus paving the way for an alternative road map. It is thus... At the energy regimes close to Planck scales, the usual structure of Lorentz symmetry fails to address certain fundamental issues and eventually breaks down, thus paving the way for an alternative road map. It is thus argued that some subgroup of proper Lorentz group could stand consistent and might possibly help us to circumvent this problem.It is this subgroup that goes by the name of Very Special Relativity(VSR). Apart from violating rotational symmetry,VSR is believed to preserve the very tenets of special relativity. The gaugeon formalism due to type-I Yokoyama and type-II Izawa are found to be invariant under BRST symmetry. In this paper, we analyze the scope of this invariance in the scheme of VSR. Furthermore, we will obtain VSR modified Lagrangian density using path integral derivation. We will explore the consistency of VSR with regard to these theories. 展开更多
关键词 quantum electrodynamics very special relativity BRST symmetry gaugeon formalism
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