Field emission studies of oxygen on silver tips

Clean [111] oriented silver field emitting tips have been exposed to oxygen at 10^?3 Torr for 1 min at temperatures ranging from ? 170 to 200°C. From 50 to 200°C, an adsorption structure is formed that is stable in oxygen. The structure is characterized by intensely emitting regions on either side of enlarged {110}, {210} and {310} faces and a dark region in the (111)-{100} zone line directions. For adsorption from ? 170 to 200°C, the structure of the patterns depends distinctly on the adsorption temperature because the coverages are different and adsorption is activated. Oxygen adsorption at 10^?3 Torr for 1 min at 0°C causes an increase in the average work function of 1.15 eV. At 0°C, silver was exposed increasingly at 10^?6 Torr until 6100 L was reached. The work function increased progressively by 0.61 eV for this exposure. The {111}, {100}, {311}, {211} and {533} faces are attacked first. Then, the {110} faces are attacked followed by the {210} {310} and {320}. Heating of the adsorption layer formed at 0°C produced no changes in pattern and work function up to 100°C. Between 100 and 200°C, a strong decrease in work function and changes in the pattern result from oxygen penetration into the bulk.     

KTiOPO4晶体理论习性

为了解决复杂结构离子晶体接触能E_att计算上的困难,本文给出了按PBC(periodic bond chain)理论导出的公式,并将其编成计算机程序。应用PBC理论,从KTiOPO₄晶体结构,对其界面进行分类表明,{100},{011}为F单形;{210},{101}和{010}为较重要的S单形;而{001}单形的晶面,属K面。根据以上公式及程序对各单形E_att进行了计算,得出了各晶面的相对重要性,其结果与观测结果符合得很好。文中提出的公式 关键词：     

Growth and piezoelectric characterisation of GeO2 single crystals with quartz structure

Abstract

The first results for growth of germanium dioxide single crystals with the crquartz type structure (α-GeO₂) from refluxed hydrothermal solutions are reported. The success of this method is due to the existence of metastable α-GeO₂ in aqueous solutions at relatively low temperature and to the structural similarity between α-GeO₂ and α-SiO₂. The continuous partial evaporation of the heated solvent, vapour condensation, saturation of the condensate by nutrient α-GeO₂ and growth of α -GeO₂ single crystals on quartz seeds are considered as the successive stages of the process. Mzre homogeneous crystals of α -GeO₂ were obtained on seeds parallel to {0001}, {1120} and {1121} faces using sodium hydroxide and ammonium fluoride solutions in the range of temperature 90-130°C and at pressure equivalent to the fugacity of saturated vapor.

Piezoelectric, elastic and dielectric properties of the mentioned above crystals for the first time were studied.     

Change in the emitter surface during high-current-density field emission from the 〈111〉 trihedral angle of a reconstructed tungsten tip

Changes in the shape and emission characteristics of the atomically sharp trihedral 〈111〉 angle of a tungsten tip reconstructed in an electric field are studied by continuous-mode field desorption microscopy during high-current-density field emission. The main changes in the tip shape and the slope of the Fowler-Nordheim characteristic occur at an emission current of 1–5 μA. At a current of 50–100 μA taken from the angle, the tip shape and emission characteristics stabilize and remain unchanged in the range 0–150 μA. The new tip shape is characterized by the widening of the angle edges; the appearance of {112} and {001} plane steps in them; a decrease in the sizes of the {011} planes forming the angle faces; and the appearance of steplike transition regions between {011}, {001}, and {112} faces. These changes in the tip shape are related to the fact that the emission field is weaker than the electric field used for preliminary tip reconstruction, the weakening of the field by the space charge of emitted electrons, and a nonuniform temperature distribution in the tip.     

合成氨钌催化剂的晶体和形貌敏感性

哈伯-博施法合成氨反应是高温高压的耗能过程,因此降低该过程的能量消耗及开发温和条件下合成氨反应催化剂具有重要意义. 金属钌是合成氨反应中最有前途的催化剂之一,一直备受广泛关注. 确定金属钌催化剂的结构敏感性并提高其比质量活性是多相催化中亟待解决的重要问题. 氮气(N₂)活化是合成氨反应中的关键步骤. 本文通过第一性原理理论计算和微观动力学模拟方法系统研究了具有六方密排和面心立方晶体结构的钌催化剂上N₂活化过程和N₂解离反应速率. 理论计算研究表明,在六方密排Ru形貌中,{2130}晶面具有最高的N₂解离活性,其次是{0001}台阶面,它们比六方密排Ru其他表面上N₂解离反应速率高3个数量级以上;在面心立方Ru形貌中,{211}和{311}表面上N₂解离活性最高. 这些结果都表明台阶面/台阶位对氮气活化至关重要. 虽然六方密排Ru {2130}晶面具有最低的N₂解离能垒,然而由于面心立方Ru上可以暴露更高密度的活性位点,使得面心立方Ru比六方密排Ru具有更高的N₂转化速率. 本研究深入理解了N₂解离过程中,金属Ru 催化剂形貌和晶相结构敏感性,这为设计和优化高活性的合成氨Ru催化剂提供了理论基础.     

Crystallographic anisotropy in chemisorption: Nitrogen on tungsten single crystal planes

A molecular beam technique for the determination of sticking probabilities and surface coverages was used in earlier work to investigate the adsorption of nitrogen on tungsten {110}, {111} and {100} single crystal planes. In the present paper these studies have been extended to the {310}, {320} and {411} planes. Absolute sticking probabilities and adatom surface coverages are reported for crystal temperatures between 90 K and 960 K. Crystallographic anisotropy in this system is exemplified by zero coverage sticking probabilities with the crystal at room temperature: {110}, 1̃0^?2; {111}, 0.08; {411}, 0.4; {100}, 0.59; {310}, 0.72; {320}, 0.73. Results for planes on the [001] zone are quantitatively described by a general model developed for adsorption on stepped planes as an extension to the precursor-state order-disorder model for adsorption kinetics of King and Wells. It is shown that nitrogen dissociation only takes place at vacant pairs of {100} sites, but that subsequently the chemisorbed adatoms so formed may migrate out onto {110} terraces. The results are critically analysed in terms of the available LEED and work function data for nitrogen on tungsten single crystal planes, and the general model developed by Adams and Germer.     

Two Phases of the Non-Commutative Quantum Mechanics with the Generalized Uncertainty Relations

We consider the quantum mechanics on the noncommutative plane with the generalized uncertainty relations \({\Delta } x_{1} {\Delta } x_{2} \ge \frac {\theta }{2}, {\Delta } p_{1} {\Delta } p_{2} \ge \frac {\bar {\theta }}{2}, {\Delta } x_{i} {\Delta } p_{i} \ge \frac {\hbar }{2}, {\Delta } x_{1} {\Delta } p_{2} \ge \frac {\eta }{2}\). We show that the model has two essentially different phases which is determined by \(\kappa = 1 + \frac {1}{\hbar ^{2} } (\eta ^{2} - \theta \bar {\theta })\). We construct a operator \(\hat {\pi }_{i}\) commuting with \(\hat {x}_{j} \) and discuss the harmonic oscillator model in two dimensional non-commutative space for three case κ > 0, κ = 0, κ < 0. Finally, we discuss the thermodynamics of a particle whose hamiltonian is related to the harmonic oscillator model in two dimensional non-commutative space.     

Time-resolved photoelectron spectroscopy on small tungsten cluster anions

We have studied the dynamics of photoexcited tungsten cluster anions W_n^-\mathrm{W}_{n}^{-} (n=3,4,…,14) by means of time-resolved two-photon photodetachment spectroscopy. At an excitation energy of h ν _pump=1.56 eV the photoinduced dynamics is mainly dominated by fast electronic relaxation processes. For the smallest clusters, i.e., W₃^-\mathrm{W}_{3}^{-}, W₄^-\mathrm{W}_{4}^{-}, and W₅^-\mathrm{W}_{5}^{-}, individual relaxation channels have been identified and resolved on a timescale well below 100 fs. The time constants for the decay of nascent and secondary electrons have been deduced from a Bloch model. Complete thermalization takes place for all clusters on a timescale of ∼1 ps.     

Orientation dependence of texture evolution in cold-rolled Ni3Al single crystals

Texture evolutions of cold-rolled thin foils of binary stoichiometric Ni₃Al single crystals were examined as a function of the initial crystal orientation. In the cases of the initial rolling direction (RD) close to ?001?, a double {110} {112} texture associated with a banded structure tends to develop irrespective of the initial foil normal direction (ND). The macroscopic shape of these foils with the banded structure is straight and simply elongated along RD, keeping their rectangular shape. In contrast, when the initial RD is close to {112}, the texture and the microstructure are rather uniform without the texture splitting and the banded structure formation. The foils of group B are macroscopically curved, twisted and eventually cracked from the side edge of the samples. Tendencies of the lattice rotations vary with the initial ND in the latter case. According to the plastic strain analysis, the formation of the banded structure is found to be essential for fabricating the thin straight foils in the case of the cold rolling of Ni₃Al single crystals.     

Ab initio calculations on the spectroscopic constants, vibrational levels and classical turning points for the 21∏u state of dimer 7Li2

The accurate dissociation energy and harmonic frequency for the highly excited 2^1Пu state of dimer ^7Li2 have been calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space. The calculated results are in excellent agreement with experimental measurements. The potential energy curves at numerous basis sets for this state are obtained over a wide internuclear separation range from about 2.4a0 to 37.0a0. And the conclusion is gained that the basis set 6-311＋＋G（d,p） is a most suitable one. The calculated spectroscopic constants De, Re, ωe, ωeχe, ae and Be at 6-311＋＋G（d,p） are 0.9670 eV, 0.3125 nm, 238.6 cm^-1, 1.3705 cm^-1, 0.0039 cm^-1 and 0.4921 cm^-1, respectively. The vibrational levels are calculated by solving the radial SchrSdinger equation of nuclear motion. A total of 53 vibrational levels are found and reported for the first time. The classical turning points have been computed. Comparing with the measurements, in which only the first nine vibrational levels have been obtained so far, the present calculations are very encouraging. A careful comparison of the present results of the parameters De and We with those obtained from previous theories clearly shows that the present calculations are much closer to the measurements than previous theoretical results, thus representing an improvement on the accuracy of the ab initio calculations of the potentials for this state.     

$\mathcal {}$-Matrix-valued Wave Packet Frames in L2(ℝd,ℂs×r)$L^{2}(\mathbb {R}^{d}, \mathbb {C}^{s\times r})$

We study frame properties of a matrix-valued wave packet system in the matrix-valued function space \(L^{2}(\mathbb {R}^{d}, \mathbb {C}^{s\times r})\), where the lower frame condition is controlled by a bounded linear operator \(\mathcal {K}\) on \(L^{2}(\mathbb {R}^{d}, \mathbb {C}^{s\times r})\) (lower \(\mathcal {K}\)-frame condition, in short). There are many differences between ordinary frames and \(\mathcal {K}\)-frames. The lower \(\mathcal {K}\)-frame condition for matrix-valued wave packet Bessel sequences in \(L^{2}(\mathbb {R}^{d},\mathbb {C}^{s\times r})\) in terms of operators; a trace functional associated with a bounded linear operator on \(L^{2}(\mathbb {R}^{d}, \mathbb {C}^{s\times r})\); and a series associated with a matrix-valued Bessel sequence is presented. It is shown that matrix-valued wave packet frames are stable under small perturbation with respect to wave packet window functions.     

Large Time Asymptotics for the Kadomtsev–Petviashvili Equation

We study the large time asymptotic behavior of solutions to the Kadomtsev–Petviashvili equations $$\left\{\begin{array}{ll} u_{t} + u_{xxx} + \sigma \partial_{x}^{-1}u_{yy} = -\partial_{x}u^{2}, \quad \quad (x, y) \in {\bf R}^{2}, t \in {\bf R},\\ u(0, x, y) = u_{0}( x, y), \, \quad \quad \qquad \qquad (x, y) \in {\bf R}^{2},\end{array}\right.$$ where σ = ±1 and \({\partial_{x}^{-1} = \int_{-\infty}^{x}dx^{\prime} }\) . We prove that the large time asymptotics of the derivative u _x of the solution has a quasilinear character.     

On the classification of multidimensionally consistent 3D maps

We classify multidimensionally consistent maps given by (formal or convergent) series of the following kind:

$$\begin{aligned} T_k x_{ij}=x_{ij} + \sum _{m=2}^\infty A_{ij ; \, k}^{(m)}(x_{ij},x_{ik},x_{jk}), \end{aligned}$$

where \(A_{ij;\, k}^{(m)}\) are homogeneous polynomials of degree m of their respective arguments. The result of our classification is that the only non-trivial multidimensionally consistent map in this class is given by the well-known symmetric discrete Darboux system

$$\begin{aligned} T_k x_{ij}=\frac{x_{ij}+x_{ik}x_{jk}}{\sqrt{1-x_{ik}^2}\sqrt{1-x_{jk}^2}}. \end{aligned}$$

     

Multi-component Dirac equation hierarchy and its multi-component integrable couplings system

A general scheme for generating a multi-component integrable equation hierarchy is proposed. A simple 3M-dimensional loop algebra \tilde{X} is produced. By taking advantage of \tilde{X}, a new isospectral problem is established and then by making use of the Tu scheme the multi-component Dirac equation hierarchy is obtained. Finally, an expanding loop algebra \tilde{F}_M of the loop algebra \tilde{X} is presented. Based on the \tilde{F}_M, the multi-component integrable coupling system of the multi-component Dirac equation hierarchy is investigated. The method in this paper can be applied to other nonlinear evolution equation hierarchies.     

Si,GaAs和LiNbO3单晶的堵塞效应

我们利用背散射方法得到Si,GaAs和LiNbO₃单晶堵塞图,以及GaAs单晶{110},{100}和{112}面堵塞半角ψ_1/2值.并得到因离子注入受损伤Si片{110}面堵塞坑深度随注入剂量增加而变浅的结果。作为对实验装置和方法的检验,我们也得到了Si单晶堵塞图和测量了Si单晶{110},{111}和{100}晶面堵塞半角ψ_1/2值。 关键词：     

The topography of nickel crystals during the reaction towards Ni(CO)4; A field ion microscope study

The structural aspect of the formation of Ni(CO)₄ by the reaction of CO with solid nickel has been studied. The nickel initial state was a nearly hemispherical single crystal as prepared by field evaporation of a nickel field emitter tip. Field-free reaction of CO with the clean nickel surface took place at pressures up to 2 mbar, reaction times up to 45 h, and at a temperature of 373 K, which as a result from work by others was found optimum for highest rates of Ni(CO)₄ formation. Neon field ion imaging at 80 K after reaction with CO showed the crystal always in an intermediate state, which had the features: (1) Areas of {;111} were increased; (2) at half angles between a central (111) and peripherical {111} planes there were {110} planes flanked by {210}, and {100} flanked by {511}, respectively; (3) with the exception of the planes mentioned in feature (2), the remaining surface area was more than mono-atomically stepped. From these results and in accordance with the theory of crystal growth (Kossel, Stranski) and the theory of crystal dissolution (Lacmann, Franke, Heimann) a pure octahedron is expected to be the final state of the crystal. This implies that nickel atoms removed by the reaction are most frequently taken from 〈110〉 atom chains of the {111} planes.     

On the elliptic flow for nearly symmetric collisions and nuclear equation of state

We present the results of elliptic flow for the collision of nearly symmetric nuclei (₁₀Ne²⁰+ ₁₃Al²⁷_{10}{\rm Ne}^{20}+\,_{13}{\rm Al}^{27}, ₁₈Ar⁴⁰+ ₂₁Sc⁴⁵_{18}{\rm Ar}^{40}+\,_{21}{\rm Sc}^{45}, ₃₀Zn⁶⁴+ ₂₈Ni⁵⁸_{30}{\rm Zn}^{64}+\,_{28}{\rm Ni}^{58}, ₃₆Kr⁸⁶+ ₄₁Nb⁹³_{36}{\rm Kr}^{86}+\,_{41}{\rm Nb}^{93}) using the quantum molecular dynamics (QMD) model. General features of elliptic flow are investigated with the help of theoretical simulations. The simulations are performed at beam energies between 45 and 105 MeV /nucleon. A significant change can be seen from in-plane to out-of-plane elliptic flow of different fragments with incident energy. A comparison with experimental data is also made. Further, we show that elliptic flow for different fragments follows power-law dependence as given by the function C(A_tot)^tC{(A_{\rm tot})^\tau}.     

C60单晶的表面形貌与生长缺陷

用气相法生长出了毫米尺寸的具有规则晶面和金属光泽的高质量的纯C₆₀单晶.X射线衍射分析表明,C₆₀单晶在室温下具有面心立方(fcc)结构,晶格常数为α=1.4199(4)nm。用扫描电子显微镜和光学显微镜观察了C₆₀单晶的形貌,除观察到fcc结构的晶体所特有的{111}和{200}两种稳定晶面以及非常容易形成的孪晶之外,还发现了在{111}面上的树枝状、垄状和生长丘以及在{200}面上的树枝状、游泳池状和生长丘的生长缺陷。对C_{60 关键词：}