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71.
Low-lying equilibrium geometric structures of Phosphorus-doped aluminum cluster Al
n
P (n = 2–12) clusters obtained by an all-electron linear combination of atomic orbital approach, within spin-polarized density
functional theory, are reported. The binding energy, dissociation energy, and stability of these clusters are studied within
the local spin density approximation (LSDA) and the three-parameter hybrid generalized gradient approximation (GGA) due to
Becke-Lee-Yang-Parr (B3LYP). Ionization potentials, electron affinities, hardness, and static polarizabilities are calculated
for the ground-state structures within the GGA. It is observed that symmetric structures with the P atom occupying a peripheral
position are lowest-energy geometries of Al
n
P (n = 2, 4–11), while the P impurities of Al3P and Al12P prefer to occupy internal sites in the aluminum clusters. Generalized gradient approximation extends bond lengths as compared
to the LSDA lengths. The odd-even oscillations in the dissociation energy, the second differences in energy, the HOMO–LUMO
gaps, the ionization potential, the electron affinity, and the hardness are more pronounced within both GGA and LSDA. The
stability analysis based on the energies clearly shows the clusters with an even number of valence electrons are more stable
than clusters with odd number of valence electrons. 相似文献
72.
A. Salmoun R. Brédy J. Bernard L. Chen S. Martin 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2008,47(1):55-61
Electron capture processes in collision between slow
X7+ (X = N, O and Ne) ions and C60 fullerene have been
investigated using coincident measurements of the number n of ejected
electrons, the mass and charge of the multicharged C60
r+ recoil ions and their fragments Cm
i+ and the final charge state of the
outgoing projectiles X(q-s)+ (
). The
collision velocity is about 0.4 a.u. The partial cross-sections σr
s , corresponding to r electrons transferred to the projectile with only s electrons stabilized, have been measured. Cross-sections
for collisions “inside” and those “outside” the C60
cage have been separated by analyzing the kinetic energy of the outgoing
projectile. The mean final charge state for frontal collisions has been
measured to 3.1, 2.6 and 2.5 for N7+, O7+ and Ne7+
respectively. These results show the importance of the core effect on the
stabilisation processes of captured electrons. 相似文献
73.
How, in the face of both intrinsic and extrinsic volatility, can unconventional computing fabrics store information over arbitrarily long periods? Here, we argue that the predictable structure of many realistic environments, both natural and artificial, can be used to maintain useful categorical boundaries even when the computational fabric itself is inherently volatile and the inputs and outputs are partially stochastic. As a concrete example, we consider the storage of binary classifications in connectionist networks, although the underlying principles should be applicable to other unconventional computing paradigms. Specifically, we demonstrate that an unsupervised, activity dependent plasticity rule, AHAH (Anti-Hebbian-And-Hebbian), allows binary classifications to remain stable even when the underlying synaptic weights are subject to random noise. When embedded in environments composed of separable features, the weight vector is restricted by the AHAH rule to local attractors representing stable partitions of the input space, allowing unsupervised recovery of stored binary classifications following random perturbations that leave the system in the same basin of attraction. We conclude that the stability of long-term memories may depend not so much on the reliability of the underlying substrate, but rather on the reproducible structure of the environment itself, suggesting a new paradigm for reliable computing with unreliable components. 相似文献
74.
Our main goal in the present work is to address an integro-differential model under localized viscoelastic and frictional effects arising in the Boltzmann theory of viscoelasticity. More precisely, we consider a general version in the history context of the pioneer localized viscoelastic problem approached by Cavalcanti and Oquendo (2003) in the null history scenario, and more recently by Cavalcanti et al. (2018) in the history framework. By means of a new observability inequality, we prove a general stability result to the model under a weaker assumption on the localized frictional damping and a slower condition on the decreasing memory kernel (of polynomial type) than the previously mentioned works. To achieve such stability results, we still work in a general setting by removing the assumption on complementary damping mechanisms and show, in some reasonable situations concerning the density coefficient, that the localized viscoelastic effect is enough to ensure the general stability (of polynomial type) to the problem. 相似文献
75.
《中国化学会会志》2018,65(2):217-224
A new and simple potentiometric method is developed to determine the stability constants of cysteine complexes with Mn(II), Cu(II), Zn(II), Cd(II), and Ce(III) metal ions using a modified Bjerrum method. Potentiometric titrations were performed in water and water/dioxane mixtures at five different temperatures. The least and highest stable complexes were those of Cu(II) and Zn(II), respectively. Furthermore, by conducting the experiments at temperatures of 15, 20, 25, 35, and 45 °C, the thermodynamic parameters ΔH°, ΔS°, and ΔG° for the pertinent complexes were calculated. The results show that the ΔH° values of the complexes are positive except for Zn(II). Negative values of ΔG° are evidence for the spontaneity of the reactions. 相似文献
76.
We prove regularity and partial regularity results for finite Morse index solutions u∈H1(Ω)∩Lp(Ω) to the Lane-Emden equation −Δu=|u|p−1u in Ω. 相似文献
77.
The main purpose of this work is to study the damping effect of memory terms associated with singular convolution kernels on the asymptotic behavior of the solutions of second order evolution equations in Hilbert spaces. For kernels that decay exponentially at infinity and possess strongly positive definite primitives, the exponential stability of weak solutions is obtained in the energy norm. It is also shown that this theory applies to several examples of kernels with possibly variable sign, and to a problem in nonlinear viscoelasticity. 相似文献
78.
《Optimization》2012,61(6):545-561
In this article we consider the boolean optimization problem of finding the set of Pareto optimal solutions. The vector objectives are the positive cuts of linear functions to the non-negative semi-axis. Initial data are subject to perturbations, measured by the l 1-norm in the parameter space of the problem. We present the formula expressing the extreme level (stability radius) of such perturbations, for which a particular solution remains Pareto optimal. 相似文献
79.
80.
一类非线性算子的带误差的Ishikawa迭代程序及其稳定性 总被引:2,自引:0,他引:2
倪仁兴 《高校应用数学学报(A辑)》2001,16(3):309-316
建立了任意实Banach空间中带误差的Ishikawa迭代程序逼近Lipschitz强伪压缩算子的不动点的一般性定理,指出已被广泛广泛研究的Ishikawa迭代序列的稳定性问题仅是带误差的Ishikawa迭代程序的特例,作为直接的应用,用不同于通常的方法证得任意实Banach空间中的Ishikawa迭代序列关于Lipschitz强伪压缩算子是稳定的,这些推广或发展了近期许多相应的结果。 相似文献