Molecular dynamics simulations of diffusion of submonolayer polar liquid lubricant films on solid surfaces

A fundamental understanding of the diffusion phenomena of submonolayer polar liquid films is important for achieving reliable lubrication between moving mechanical parts separated by a nanometer-sized gap. To acquire this understanding, we conducted molecular dynamics (MD) simulations of diffusion phenomena of submonolayer polar perfluoropolyether (PFPE) Zdol films on solid surfaces. To improve the accuracy of these simulations, we developed an all-atom model that includes hydrogen-bond potential and refined atomic charges for Zdol molecules and tested it through MD simulations of spreading of step-shaped submonolayer PFPE films. Our MD simulations reproduced the experimentally observed effects of polar end groups on the diffusion speed and molecular conformation of Zdol. We then conducted MD simulations of self-diffusion of submonolayer Zdol films; these simulations demonstrated that as the thickness of the submonolayer Zdol films decreases, molecular conformation becomes flatter and the self-diffusion coefficient decreases. These changes in molecular conformation partially explain our experimental finding that the spreading of step-shaped submonolayer polar PFPE films slows down with decreasing initial thickness.     

View-based virtual learning and recognition of 3D object using view model obtained by motion-stereo

View-based approach for learning and recognition of 3D object and its pose detection was proved to be affective and efficient, except its high learning cost. In this research, we propose a virtual learning approach which generates learning samples of views of an object from its 3D view model obtained by motion-stereo method. From the generated learning sample views, features of high-order autocorrelation are extracted, and discriminant feature spaces for object recognition and pose detection are built. Recognition experiments on real objects are carried out to show the effectiveness of the proposed method. Caihua Wang, Ph.D.: He received his B.S. in mathematics and M.E. in electronic engineering from Renmin University of China, Beijing, China in 1983 and 1986, and his Ph. D. from Shizuoka University, Hamamatsu, Japan in 1996. He is a JST domestic fellow and is doing his post doctoral research at Electrotechnical Laboratory. His research interests are computer vision and image processing. He is a member of IEICE and IPSJ. Katsuhiko Sakaue, Ph.D.: He received the B.E., M.E., and Ph.D. degrees all in electronic engineering from University of Tokyo, in 1976, 1978 and 1981, respectively. In 1981, he joined the Electrotechnical Laboratory, Ministry of International Trade and Industry, and engaged in researches in image processing and computer vision. He received the Encouragement Prize in 1979 from IEICE, and the Paper Award in 1985 from Information.     

Patient views of adverse events: comparisons of self-reported healthcare staff attitudes with disclosure of accident information

In the present paper, we report results of surveys in 2003 in Japan and Denmark about patients' views about adverse events, focusing on the actions of healthcare staff involved in a medical accident. Results show that patients were more likely to indicate negative expectations to a doctor's reactions after a medical accident when asked in general terms than when asked in relation to concrete case stories. When asked in general terms, 66% (47%) of Japanese (Danish) respondents expected that doctors sometimes hold back on providing information to patients about a medical accident, while 37% (7%) did so when asked about a concrete, mild-outcome case. We examine some possible reasons for the relatively high level of distrust of Japanese patients, and we discuss whether the seemingly lower level of disclosure in Japan than in Denmark and the negative stories in the Japanese press may have an impact. We also suggest some implications for introducing a patient-centred or customer-centred approach to risk management in healthcare and other domains.     

Low temperature hopping conduction in neutron transmutation doped isotopically enriched70Ge:Ga single crystals

The temperature dependence of variable range hopping resistivity in neutron transmutation doped (NTD) isotopically enriched⁷⁰Ge:Ga samples is reported. Five samples with compensation ratios K less than 0.001 and Ga concentrations between 3×10¹⁶ and 1.77×10¹⁷ cm^–3 were studied. All samples investigated show the ln T^–1/2 dependence in the temperature range below 1.5K. As thermistor materials NTD⁷⁰Ge:Ga samples are found to have more than factor of two higher sensitivity than commonly used natural NTD Ge in the temperature range between 0.2K and 1K. Our results are compared with theoretical predictions for variable range hopping conduction.     

Dielectric Dispersion of Polycrystalline Aluminum Nitride at Microwave Frequencies

Complex permittivity of polycrystalline AlN was measured over the frequency range 100 MHz to 13 GHz using reflection coefficient and cavity resonator methods. Dielectric relaxation peaks of loss tangent were observed in the frequency range 200 MHz to 3 GHz. The maximum value of loss tangent was ∼200 × 10⁻⁴. Relative permittivities decreased by ∼4% with increased frequency at the region of relaxation peaks. It was shown that these dispersion frequencies were inversely proportional to the grain sizes of AlN and independent of purities and processes. Model calculations for elastic vibration of a single-crystal grain of AlN were performed to investigate the origin of the dielectric dispersion due to piezoelectric effect. The calculated results of elastic sphere and 14-faced-polyhedron models showed a good quantitative agreement with the observed dispersion frequencies, which suggested that the dispersion was due to a piezoelectric vibration of a single grain of AlN ceramics at microwave frequencies.     

Magnetic collective excitations in the B phase of superfluid He-3

The dynamical susceptibility of the B phase of superfluid He-3 in the presence of dipolar coupling is calculated in the collisionless regime. Two poles of the susceptibility that correspond to the spin wave and the mode with energy gap (2/5)^1/2 2 are found. The result agrees with that of Tewordt and Einzel qualitatively and contradicts the recent work by Maki. The residue of the high-frequency mode becomes remarkable near the transition temperature. The dispersion relations of these modes atT=0 K and near the transition temperature are given in the most general form.     

Further study on different dopings into PbWO4 single crystals to increase the scintillation light yield

Since we presented our preliminary result (Nucl. Instr. and Meth. A 486 (2002) 170) at SCINT2001, we have continued our efforts to increase the light yield (LY) of PbWO₄ scintillators by extending different dopings with an aim to find a possibility of using PbWO₄ successfully in Positron Emission Tomography (PET). Overall result obtained for single doping as well as double and tripple co-dopings are summarized, including decay characteristics and radiation hardness. The LY in non-doped PbWO₄ crystals with a size of 10×10×(20–30) mm³ is 25–35 photolectrons/MeV (phe/MeV) corresponding to 3–4% of the LY in BGO, when measured with a bialkali photomultiplier during a gate of 1 μs. The maximum LY increased to 49 phe/MeV for single doping with Mo⁶⁺, 80 phe/MeV for double co-doping of Mo⁶⁺+Sb⁵⁺, and 85 phe/MeV for tripple co-doping of Mo⁶⁺+Cd²⁺+Sb⁵⁺. The radiation hardness is larger than 10⁵ Gy for each of the samples co-doped with Mo⁶⁺+Sb⁵⁺ and Mo⁶⁺+Cd²⁺+Sb⁵⁺, while it is much poorer in PWO:Mo⁶⁺. In each of these co-doped samples, a medium-speed green emission in the microsecond range is created besides the fundamental fast (a few nanoseconds range) blue one, giving a peak at 500 nm in the radioluminescence spectrum similarly as in PWO:Mo⁶⁺.     

Structural approach to nanoscience: a case study of complex and cluster formation in ZnBr2–ZnCl2 melts

Although the melt structure of glass-forming ZnCl₂ has so far been well studied, there exists quite little information on the structural change due to anion-substitution. In the present work, the short-range structure of ZnCl₂–ZnBr₂ mixture melts was analyzed systematically by time-of-flight pulsed neutron diffraction techniques, Raman spectroscopy, molecular orbital calculations, and molecular dynamics simulations. According to radial distribution analysis, it was found that there were tetrahedral structural units of ligand-substituted [ZnCl_nBr_4−n]²⁻ (n=0–4) in these melts, not implying the simple mixing of [ZnCl₄]²⁻ and [ZnBr₄]²⁻ units. Further detailed estimation indicated that the ligand-substituted complex anions were linked with each other by sharing a common anion.     

Mutagenicity and DNA-damaging activity of decomposed products of food colours under UV irradiation

Five synthetic food colours Food Red Nos 3, 40 and 102 and Food Blue Nos 1 and 2, and their UV irradiated products were tested for mutagenic activity by means of the Ames test using Salmonella typhimurium strains TA98 and TA100. Food colours were irradiated with UV light for 14 days. Food Red Nos 3, 40 and 102 and Food Blue No. 1 were non-mutagenic before and after irradiation. UV irradiated products of Food Blue No. 2 were mutagenic in TA98 with or without S-9 mix. The mutagenic activity increased with increasing irradiation period, reached maximum potency on day 6, and then decreased. Moreover, Food Blue No. 2 showed DNA-damaging activity after 14 days of irradiation in rec-assay using Bacillus subtilis strains H17 and M45. The capillary electrophoresis was applied for the analysis of UV irradiated products of Food Blue No. 2. The original peak of Food Blue No. 2 was decomposed into seven peaks after UV irradiation.     

Large Magnetovolume Effect Induced by Embedding Ferromagnetic Clusters into Antiferromagnetic Matrix of Cobaltite Perovskite

Materials that show negative thermal expansion (NTE) have significant industrial merit because they can be used to fabricate composites whose dimensions remain invariant upon heating. In some materials, NTE is concomitant with the spontaneous magnetization due to the magnetovolume effect (MVE). Here the authors report a new class of MVE material; namely, a layered perovskite PrBaCo₂O_5.5+x (0 ≤ x ≤ 0.41), in which strong NTE [β ≈ ?3.6 × 10^?5 K^?1 (90–110 K) at x = 0.24] is triggered by embedding ferromagnetic (F) clusters into the antiferromagnetic (AF) matrix. The strongest MVE is found near the boundary between F and AF phases in the phase diagram, indicating the essential role of competition between the F‐clusters and the AF‐matrix. Furthermore, the MVE is not limited to the PrBaCo₂O_5.5+x but is also observed in the NdBaCo₂O_5.5+x . The present study provides a new approach to obtaining MVE and offers a path to the design of NTE materials.