Dependence on interatomic distance of exchange coupling in rare-earth Al2 compounds

The effect of pressure on the Curie temperature of the heavy rare-earth dialuminides has been measured up to 3.5 kbar. The derivatives dT_c/d_p are 0.00(4), 0.09, 0.21, 0.39, 0.60 and 0.71 K/kbar respectively for TmAl₂ ErAl₂, HoAl₂, DyAl₂, TbAl₂ and GdAl₂ thus indicating a clear positive correlation between dT_c/dp and the de Gennes factor G. The results are discussed in terms of the RKKY model. However, the phenomenological parameter D/d, where D is the nearest-neighbour R-R distance and d the diameter of the 4f orbital, is used to reflect the non-δ-function character of the sf-coupling parameter Г. The experimental values of Г²D² and T_p/G are found to decrease linearly with increasing D/d. This is in keeping with the RKKY proportionality of $\text{T}{}_{\mathrm{c}}\text{?T}{}_{\mathrm{p}}$ to Γ²E^?1_FG. For GdAl₂, TbAl₂ and DyAl₂ the quantity $\text{?}\text{(}\text{d}\text{T}{}_{\mathrm{c}}\text{d}\text{p}\text{)}\text{k}{}_{\mathrm{l}}\text{(}\text{D}\text{d}\text{)}\text{G}$ coincides within the error limits with the slope of the T_p/G vs D/d plot.     

A simple model for a two-stage chemical reaction with diffusion

We analyse the evolution of a two-stage chemical reaction betweentwo neighbouring plumes of reactants. Under the assumption thatthe plumes are approximately Gaussian we derive a system ofordinary differential equations for the total amount, the centroidand the variance of each reactant. We compare the solution ofthese equations with full numerical simulation of the reaction.Excellent agreement is obtained, with solution of the near-Gaussianmodel requiring considerably less computational effort thanthe full simulations. Of key importance is the yield of thereaction, and we discuss this feature in particular.     

BODIL: a molecular modeling environment for structure-function analysis and drug design

BODIL is a molecular modeling environment geared to help the user to quickly identify key features of proteins critical to molecular recognition, especially (1) in drug discovery applications, and (2) to understand the structural basis for function. The program incorporates state-of-the-art graphics, sequence and structural alignment methods, among other capabilities needed in modern structure–function–drug target research. BODIL has a flexible design that allows on-the-fly incorporation of new modules, has intelligent memory management, and fast multi-view graphics. A beta version of BODIL and an accompanying tutorial are available at http://www.abo.fi/fak/mnf/bkf/research/johnson/bodil.html     

Gas-phase deprotonation of arylalkylamines. A collision-induced dissociation study

The collision-induced dissociation (CID) of deprotonated arylalkylamines of general formula R(1)C(6)H(4)CHR(2)CH(2)NR(3)(2) (where R(1) = H, OH, F or NO(2); R(2) = H or OH; R(3) = H or CH(3)) generated by negative chemical ionization with H(2)O and D(2)O as ionizing reagents, is discussed. The negative chemical ionization mass spectra show that, in the absence of a hydroxy group in the aromatic ring, deprotonation takes place at the benzylic position whereas the proton is lost from the OH group when present. The nitro compound forms only M(-.) ions. The CID spectra of the deprotonated molecules show that fragmentations are strongly dependent on the structural features of the molecules, namely the presence or absence of substituents in the aromatic ring or aliphatic chain. Copyright 1999 John Wiley & Sons, Ltd.     

Steering in computational science: Mesoscale modelling and simulation

This paper outlines the benefits of computational steering for high performance computing applications. Lattice-Boltzmann mesoscale fluid simulations of binary and ternary amphiphilic fluids in two and three dimensions are used to illustrate the substantial improvements which computational steering offers in terms of resource efficiency and time to discover new physics. We discuss details of our current steering implementations and describe their future outlook with the advent of computational grids.     

空气中激光烧蚀Cu产生等离子体发射光谱的研究

利用Q-开关Nd:YAG激光器产生的1.06 μm、10 ns的脉冲激光聚焦在空气中的Cu靶上,观测了激光诱导的Cu等离子体发射光谱.采用不同的激光能量,分析了波长范围为440 nm到540 nm的空间分辨发射光谱.在局部热力学平衡(LTE)条件近似下,根据谱线的相对强度,得到了等离子体电子温度约在104 K以上,给出了靶面附近电子温度的空间演化规律,并探讨了N(Ⅱ)500.52 nm谱线的谱线强度和半高全宽随激光能量的变化规律.     

Fallout 137Cs, 90Sr and 239+240Pu in soils polluted by heavy metals: Vertical distribution, residence half-times, and external gamma-dose rates

The industrial pollution of an ecosystem, e.g., by heavy metals, might also affect the behavior of fallout radionuclides in the soils of these areas. To study such effects, we determined at various distances from the huge copper-nickel smelters at Monchegorsk on the Kola Peninsula (Russia) and at a reference site: (1) the vertical distribution of fallout ¹³⁷Cs,⁹⁰Sr and^239+240Pu in the soil, (2) the corresponding residence half-times in different soil horizons, and (3) the resulting external gamma-dose rates at these sites in 1 m height due to ¹³⁷Cs in the soil. The data show that the residence half-times and the partitioning of the fallout radionuclides among the various soil horizons depend significantly on the extent of the heavy metal pollution at the sites. The resulting external gamma-dose rate in 1 m height due to ¹³⁷Cs in the soil is, however, rather similar at the various sites.     

Cosmological implications of anomalous redshifts—A possible working hypothesis

An analysis of the most recent experimental data shows that the isotropic and universal proportionality of redshift to distance, predicted for all distant objects by the expanding universe model, cannot be regarded as an established fact at the present stage of experimental knowledge. An interpretation of the conflicting data is given in terms of interactions between nonzero-mass photons and light scalar bosons. This leads to a new, static, Einstein-type hierarchical model of the universe, where the cosmological redshift results essentially from a tired-light effect.     

Method for obtaining high phase space density in a surface-mounted atom trap

We describe a method for obtaining a high phase space density of alkali atoms in a surface-mounted microscopic atom trap created above a transparent conductor or permanent magnet on a substrate prism. We show that the peak value of the phase space density can locally reach the level of 10^-2 when the microtrap is loaded with atoms from a gravito-optical surface trap. Initial spin polarization of the atoms is not required. PACS 32.80.Pj; 39.25.+k; 03.75.Be     

Effects of pressure on magnetic interactions in the rare earth intermetallics R2Ni17

The Curie temperatures of Y₂Ni₁₇ and Dy₂Ni₁₇ were observed to vary with hydrostatic pressure at a rate of –0.44 K/kbar. The results for the compounds R₂Ni₁₇ were compared with previously reporteddT _c/dp data for R₂Co₁₇ and R₂Fe₁₇ and discussed in terms of simplified collective and localizedd-electron models. The former model suggests that R₂Ni₁₇ and R₂Co₁₇ are relatively far from the Stoner instability limit, while the compounds R₂Fe₁₇ approach very weak itinerant ferromagnetism. The slow pressure variation of the compensation temperature of Dy₂Ni₁₇, –0.03 K/kbar, was attributed to the insensitivity of the R-Ni interaction to interatomic spacing.