Why define atoms in real space?

The physics of a system is determined by a variation of the action integral, i.e., by a variation of the space–time volume integral of the Lagrange function. If one demands that the properties of an atom in a molecule be derived from physics, the atom must generate its own space–time volume, requiring that its boundaries be defined in real space. The variations in the action are related to the actions of generators of infinitesimal unitary transformations. In the general case, the action integral is altered by generators acting in both the spacelike and timelike surface bounding the space–time volume, whereas for a total isolated system, the physics is totally determined by their action in just the spacelike surfaces at the two time endpoints. It is shown and illustrated for a one-dimensional system that the definition of an atom corresponds to the possibility of choosing a subsystem in such a way that the contributions to the change in action resulting from the evolution in time of its spatial boundaries vanishes identically. The properties of these subsystems and of the total system of which they are a part are, therefore, determined by one and the same action principle. This choice of subsystem corresponds to the possibility of augmenting the Lagrange function by the divergence of the gradient of the electron density a step that, while leaving the equations of motion unchanged, modifies the generating operators in the required manner. © 1994 John Wiley & Sons, Inc.     

Three-dimensional atom probe study of the segregation behaviour of Ni91Pt9 alloy after sputtering

To investigate local ordering and segregation phenomenon in a Ni91Pt9-alloy after sputtering and annealing a 3D optical atom probe (OAP) has been used. The specimen tips have been prepared from polycrystalline samples. To sputter the samples a separate preparation chamber with a scannable Ar-sputter-gun is connected to the OAP vessel. When necessary, the sample can be electrically heated to induce segregation and cure the altered layer. After a heat treatment of a Ni91 at. %Pt 9 at.% specimen at 1100 K the surface of a (111)-oriented specimen is enriched in platinum by a factor of two in relation to the bulk. The phenomenon of short-range ordering has been investigated on the surface and in the subsurface volume. A 3D reconstruction of this annealed NiPt specimen shows regions with high concentration of platinum that gives an indication at short-range ordering. Uniform sputtering of the tip without a heat treatment induces a decisive depletion of Pt on the surface and the following subatomic layers. The atom-probe results of specimens in thermal equilibrium are in close agreement to further surface sensitive results obtained from Ion Scattering Spectroscopy (ISS) and Auger Electron Spectroscopy (AES).     

Study of the charge-exchange reactions\pi ^ - p \to (\pi ^0 ,\eta ,\eta \prime )n at 63 GeV

Muon electron pairs were detected in an Al multiplate spark chamber, exposed to a neutrino beam from the CERN PS. The leptons were not accompanied by other particles, except occasionally by protons. The background came mainly from muon associated π⁰ production, with one decay gamma lost. It was determined empirically, together with the small contribution from υ _e reactions. For electron energies above 2 GeV the background is 5.7±1.5 events, whereas 18 (μe)-candidates have been observed. Hence the effect is established, with a rate of about 10^?4 as compared to the muonic reactions above 3 GeV. Charm creation as the origin of this (μe)-production process is excluded; heavy neutral lepton production does not fit the kinematics observed. Instead the events are compatible with the two-body decay of an object with variable invariant mass of order 1 GeV, possibly resulting from axion interactions.     

A comparison of steady-state evoked potentials to modulated tones in awake and sleeping humans.

Steady-state evoked potential responses were measured to binaural amplitude-modulated (AM) and combined amplitude- and frequency-modulated (AM/FM) tones. For awake subjects, AM/FM tones produced larger amplitude responses than did AM tones. Awake and sleeping responses to 30-dB HL AM/FM tones were compared. Response amplitudes were lower during sleep and the extent to which they differed from awake amplitudes was dependent on both carrier and modulation frequencies. Background EEG noise at the stimulus modulation frequency was also reduced during sleep and varied with modulation frequency. A detection efficiency function was used to indicate the modulation frequencies likely to be most suitable for electrical estimation of behavioral threshold. In awake subjects, for all carrier frequencies tested, detection efficiency was highest at a modulation frequency of 45 Hz. In sleeping subjects, the modulation frequency regions of highest efficiency varied with carrier frequency. For carrier frequencies of 250 Hz, 500 Hz, and 1 kHz, the highest efficiencies were found in two modulation frequency regions centered on 45 and 90 Hz. For 2 and 4 kHz, the highest efficiencies were at modulation frequencies above 70 Hz. Sleep stage affected both response amplitude and background EEG noise in a manner that depended on modulation frequency. The results of this study suggest that, for sleeping subjects, modulation frequencies above 70 Hz may be best when using steady-state potentials for hearing threshold estimation.     

Estimation of multivariate binary density using orthogonal functions

In this paper, the authors studied certain properties of the estimate of Liang and Krishnaiah (1985, J. Multivariate Anal. 16, 162–172) for multivariate binary density. An alternative shrinkage estimate is also obtained. The above results are generalized to general orthonormal systems.     

极化子导电到能带导电的转变

采用交流法测量大功率商用钛酸钡(BT)陶瓷加热器的电阻和加热功率随温度的变化关系.结果显示,BT陶瓷的电导特性在80℃附近出现了明显的转变,从低温时的极化子跳跃导电转变为高温时的能带导电,此时,电阻出现极小值,而加热功率出现极大值.     

New ligands for the Fe(III)‐mediated reverse atom transfer radical polymerization of methyl methacrylate

A series of (di)picolinic acids and their derivates are investigated as novel complexing tridentate or bidentate ligands in the iron‐mediated reverse atom transfer radical polymerization of methyl methacrylate in N,N‐dimethylformamide at 100 °C with 2,2′‐azobisisobutyrontrile as an initiator. The polymerization rates and polydispersity indices (1.32–1.8) of the resulting polymers are dependent on the structures of the ligands employed. Different iron complexes may be involved in iron‐mediated reverse atom transfer radical polymerization, depending on the type of acid used. ¹H NMR spectroscopy has been used to study the structure of the resulting polymers. Chain‐extension reactions have been performed to further confirm the living nature of this catalytic system. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 2912–2921, 2006     

主成分分析在地区科技竞争力评测中的应用

近年来对于科技竞争力的研究在国内方兴未艾,其中对于科技竞争力的评测是众多学者研究的重点和热点,也是各级决策者最为关心、最为重要的课题之一。本文根据科技竞争力概念和内涵来确定评测指标体系的构成要素,建立了评测指标体系,并利用主成分分析方法对采集来的数据进行分析,得到最终的评测结果。     

Effects of annealing conditions on the electrical properties of Bi4-xNdxTi3O12 (x = 0.46) thin films processed at low temperature

Neodymium-substituted Bi₄Ti₃O₁₂ (BNdT) thin films were prepared by a chemical solution deposition technique on platinum- coated silicon substrates. All of the samples were annealed at the relatively low temperature of 600 °C by a rapid thermal annealing process in different atmospheres, such as O₂, air, and nitrogen, and vacuum. Irrespective of different annealing atmospheres, all of the BNdT thin films exhibit good ferroelectric properties, such as a saturated hysteresis loop, good fatigue endurance, and low leakage current density. A large remanent polarization (P_r) of ∼48 μC/cm² with an electric field of 240 kV/cm was observed from the BNdT thin film annealed in O₂ atmosphere. The BNdT thin films annealed in nitrogen and vacuum, at reduced oxygen partial pressures, exhibit smaller P_r than that annealed in oxygen. The difference of P_r of the BNdT thin films annealed in different atmospheres may originate from differences in the grain sizes and the number of oxygen vacancies. PACS 77.55.+f; 77.80.-e; 77.80.Fm; 81.15.-z