Atmospheric chemistry of diazomethane – an experimental and theoretical study

The kinetics of the O₃, OH and NO₃ radical reactions with diazomethane were studied in smog chamber experiments employing long-path FTIR and PTR-ToF-MS detection. The rate coefficients were determined to be k _CH2NN+O3?=?(3.2?±?0.4)?×?10^?17 and k _CH2NN+OH?=?(1.68?±?0.12)?×?10^?10 cm³ molecule^?1 s^?1 at 295?±?3?K and 1013?±?30 hPa, whereas the CH₂NN?+?NO₃ reaction was too fast to be determined in the static smog chamber experiments. Formaldehyde was the sole product observed in all the reactions. The experimental results are supported by CCSD(T*)-F12a/aug-cc-pVTZ//M062X/aug-cc-pVTZ calculations showing the reactions to proceed exclusively via addition to the carbon atom. The atmospheric fate of diazomethane is discussed.     

面心立方晶体外延膜沉积生长中失配位错的结构与形成过程

用分子动力学方法对5%负失配条件下面心立方晶体铝薄膜的原子沉积外延生长进行了三维模拟.铝原子间的相互作用采用嵌入原子法(EAM)多体势计算.模拟结果再现了失配位错的形成现象.分析表明，失配位错在形成之初即呈现为Shockley扩展位错，即由两个伯格斯矢量为〈211〉/6的部分位错和其间的堆垛层错组成，两个部分位错的间距、即层错宽度为1.8 nm,与理论计算结果一致；外延晶体薄膜沉积生长中，位错对会发生滑移，但其间距保持稳定.进一步观察发现，该扩展位错产生于一种类似于“局部熔融-重结晶”的表层局部无序紊乱- 关键词： 失配位错 外延生长 薄膜 分子动力学 铝     

Accredited dose measurements for validation of radiation sterilized products

The activities and services of the accredited Risø High Dose Reference Laboratory are described. The laboratory operates according to the European standard EN 45001 regarding Operation of Testing Laboratories, and it fulfills the requirements of being able to deliver traceable dose measurements for control of radiation sterilization. The accredited services include:

1. 1. Irradiation of dosimeters and test samples with cobalt-60 gamma rays.

2. 2. Irradiation of dosimeters and test samples with 10 MeV electrons.

3. 3. Issue of and measurement with calibrated dosimeters.

4. 4. Measurement of the dosimetric parameters of an irradiation facility.

5. 5. Measurement of absorbed dose distribution in irradiated products.

The paper describes these services and the procedures necessary for their execution.     

On the Linear Complexity Profile of Nonlinear Congruential Pseudorandom Number Generators with Dickson Polynomials

Linear complexity and linear complexity profile are important characteristics of a sequence for applications in cryptography and Monte-Carlo methods. The nonlinear congruential method is an attractive alternative to the classical linear congruential method for pseudorandom number generation. Recently, a weak lower bound on the linear complexity profile of a general nonlinear congruential pseudorandom number generator was proven by Gutierrez, Shparlinski and the first author. For most nonlinear generators a much stronger lower bound is expected. Here, we obtain a much stronger lower bound on the linear complexity profile of nonlinear congruential pseudorandom number generators with Dickson polynomials.     

Analytic continuation and identities involving heat,Poisson, wave and Bessel kernels

In this article we use classical formulas involving the K–Bessel function in two variables to express the Poisson kernel on a Riemannian manifold in terms of the heat kernel. We then use the small time asymptotics of the heat kernel on certain Riemannian manifolds to obtain a meromorphic continuation of the associated Poisson kernel to all values of complex time with identifiable singularities. This result reproves in a different setting by different means a well–known theorem due to Duistermaat and Guillemin [DG 75]. Also, we develop analytic expressions for the heat kernel beyond asymptotic expansions. (© 2003 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Zeeman transitions in deuterium atoms induced by ultra-relativistic electrons

We present data showing hyperfine transitions in an atomic deuterium beam induced by the (476 MHz) radio-frequency field of a 704 MeV electron beam in a storage ring. A polarized deuterium beam, produced in an atomic beam source, was crossed with a stored electron beam and analyzed with a Breit--Rabi polarimeter. Electron-beam induced transitions were singled out by injecting different combinations of hyperfine states. Transition probabilities as high as 70% were measured at large currents (~ 100 mA). All possible deuterium transitions for a radio-frequency of 476 MHz were observed. In addition, a 1--6 transition resulting from the first harmonic (952 MHz) was observed. The effects of these transitions are of general importance for the polarized internal target technique applied in nuclear and particle physics experiments. The data are reasonably described by numerical estimates. The observed mechanism can be exploited to create nuclear polarized atoms when injecting electron polarized atoms with no net nuclear polarization into a storage cell. However, when nuclear polarized atoms are injected, care should be taken to avoid this mechanism, since it would result in depolarization of the atoms. The studies enabled us to choose the magnetic guide field during our spin-dependent electron--deuteron scattering experiments, such that electron-beam induced depolarizing effects were avoided. This revised version was published online in July 2006 with corrections to the Cover Date.     

Adaptive application of operators in standard representation

Recently adaptive wavelet methods have been developed which can be shown to exhibit an asymptotically optimal accuracy/work balance for a wide class of variational problems including classical elliptic boundary value problems, boundary integral equations as well as certain classes of noncoercive problems such as saddle point problems. A core ingredient of these schemes is the approximate application of the involved operators in standard wavelet representation. Optimal computational complexity could be shown under the assumption that the entries in properly compressed standard representations are known or computable in average at unit cost. In this paper we propose concrete computational strategies and show under which circumstances this assumption is justified in the context of elliptic boundary value problems. Dedicated to Charles A. Micchelli on the occasion of his 60th birthday Mathematics subject classifications (2000) 41A25, 41A46, 65F99, 65N12, 65N55. This work has been supported in part by the Deutsche Forschungsgemeinschaft SFB 401, the first and third author are supported in part by the European Community's Human Potential Programme under contract HPRN-CT-202-00286 (BREAKING COMPLEXITY). The second author acknowledges the financial support provided through the European Union's Human Potential Programme, under contract HPRN-CT-2002-00285 (HASSIP) and through DFG grant DA 360/4–1.