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21.
A. Vukics H. Ritsch 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,44(3):585-599
We present a framework for efficiently performing Monte Carlo
wave-function simulations in cavity QED with moving particles. It
relies heavily on the object-oriented programming paradigm as realised
in C++, and is extensible and applicable for simulating open
interacting qua
ntum dynamics in general. The user is provided with a
number of “elements”, e.g. pumped moving particles, pumped lossy
cavity modes, and various interactions to compose complex interacting
systems, which contain several particles moving in electromagnetic
fields of various configurations, and perform wave-function
simulations on such systems. A number of tools are provided to
facilitate the implementation of new elements. 相似文献
22.
本文报道了一种测角单晶NMR探头。该探头采用单线圃双调谐电路,工作频率在90MHz-110 MHz连续可调,可进行交叉极化大功率去耦实验。文中提出了一种简单而有效的测角装置,可使单晶绕三个互相垂直轴转动实现单晶的NMR测量。作为典型的应用例子,本文利用该探头实现了单晶DGO(2NH2CH2COOH·H2C2O4)屏蔽张量的测量。 相似文献
23.
Eric Gifford Mark Johnson Chun-che Tsai 《Journal of computer-aided molecular design》1991,5(4):303-322
Summary The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits. 相似文献
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26.
Yunshan Dong 《Applied Surface Science》2006,252(14):5057-5062
A series of Zr-Si-N composite films with different Si contents were synthesized in an Ar and N2 mixture atmosphere by the bi-target reactive magnetron sputtering method. These films’ composition, microstructure and mechanical properties were characterized by energy dispersive spectroscopy, X-ray diffraction, scanning electron microscopy, atomic force microscopy and nanoindentation. Experimental results revealed that after the addition of silicon, Si3N4 interfacial phase formed on the surface of ZrN grains and prevented them from growing up. Zr-Si-N composite films were strengthened at low Si content with the hardness and elastic modulus reaching their maximum values of 29.8 and 352 GPa at 6.2 at% Si, respectively. With a further increase of Si content, the crystalline Zr-Si-N films gradually transformed into amorphous, accompanied with a remarkable fall of films’ mechanical properties. This limited enhancement of mechanical properties in the Zr-Si-N films may be due to the low wettability of Si3N4 on the surface of ZrN grains. 相似文献
27.
We use the PCP-SAFT equation of state, which is of the Van der Waals type and has a sound physical basis, to predict mixture properties, such as vapor–liquid and liquid–liquid equilibria, as well as excess enthalpies. We use molecular properties, such as dipole moment, quadrupole moment, polarizability and dispersion interaction coefficients, that have been determined quantum mechanically in Part I of this publication and adjust the remaining three pure compound parameters to pure compound data. We finally present a new combination rule for the dispersion energy parameter ? that is based on the quantum mechanically determined data. The predictions based on quantum mechanically determined pure compound properties along with the new combination rule show an improved performance compared to the original PCP-SAFT combination rule. 相似文献
28.
在Linux操作平台下应用FAST_wmg有限元前后处理软件对机械密封焊接金属波纹管膜片建立了有限元模型并进行了非线性有限元分析.在同等条件下对焊接金属波纹管采用了S型膜片和V型膜片,并分别进行了有限元强度评价和对比分析.结果表明,两种膜片最大应力集中都在膜片两端周围发生.这与文献所叙述的波纹管的主要失效发生在膜片两端与焊谷接近的部位非常吻合,但是,在同样边界条件下,在同样位移量时S型膜片最大应力值比V型膜片最大应力值小,压缩量大. 相似文献
29.
Nanometer scale Al/AlN multilayers have been prepared by dc magnetron sputtering technique with a columnar target. A set of Al/AlN multilayers with the Al layer thickness of 2.9 nm and the AlN layer thickness variation from 1.13 to 6.81 nm were determined. Low angle X-ray diffraction (LAXRD) was used to analyze the layered structure of multilayers. The phase structure of the coatings was investigated with grazing angle XRD (GAXRD). Mechanical properties of these multilayers were thoroughly studied using a nanoindentation and ball-on-disk micro-tribometer. It was found that the multilayer hardness and reduced modulus showed no strong dependence on the AlN layer thickness. Al2.9 nm/AlN1.13 nm multilayer had more excellent tribological properties than single layers and other proportion multilayers with a lowest friction coefficient of 0.15. And the tribological properties of all the multilayers are superior to the AlN single layer. 相似文献
30.
熔制了掺铒碲铌玻璃样品(100-X)TeO2-XNb2O5(X=5,10,15,20mol%),测试了其密度、折射率、转变温度、析晶温度、维氏机械强度、吸收光谱、荧光光谱、荧光寿命等参量。利用Judd-Ofelt和McCumber理论分别计算了铒离子强度参量Ωt(t=2,4,6)和受激发射截面σemi的大小,研究了掺铒碲铌玻璃样品光谱参量对Nb2O5成分的依赖性,并与典型的碲锌钠玻璃(75TeO2-20ZnO-5Na2O)在热学、机械强度、光谱性质和放大品行四个方面进行了比较. 相似文献