Nuclear mean fields through self-consistent semiclassical calculations

Semiclassical expansions derived in the framework of the Extended Thomas-Fermi approach for the kinetic energy density τ( r) and the spin-orbit density J( r) as functions of the local density ρ( r) are used to determine the central nuclear potentials V _n( r) and V _p( r) of the neutron and proton distribution for effective interactions of the Skyrme type. We demonstrate that the convergence of the resulting semiclassical expansions for these potentials is fast and that they reproduce quite accurately the corresponding Hartree-Fock average fields. Received: 12 February 2000 / Accepted: 14 March 2002     

Collision-induced fragmentation and neutralization of methanol cluster cations

This contribution addresses the inelastic interaction of positively charged molecular cluster ions with a solid surface at kinetic energies up to 30 eV/molecule. We report experimental results on the scattering of mass-selected, protonated methanol cluster cations (CH₃OH)_nH⁺, n = 4-32, off a diamond-coated silicon surface. In particular we provide fragment size distributions of methanol cluster ions following their impact on the target, as well as surface-induced neutralization probabilities of methanol cluster ions as a function of the size and the kinetic energy of the parent clusters. Received 30 November 2000     

Fragmentation and reliable size distributions of large ammonia and water clusters

The interaction of large ammonia and water clusters in the size range from <n> = 10 to 3 400 with electrons is investigated in a reflectron time-of-flight mass spectrometer. The clusters are generated in adiabatic expansions through conical nozzles and are nearly fragmentation free detected by single photon ionization after they have been doped by one sodium atom. For ammonia also the (1+1) resonance enhanced two photon ionization through the state with v = 6 operates similarly. In this way reliable size distributions of the neutral clusters are obtained which are analyzed in terms of a modified scaling law of the Hagena type [Surf. Sci. 106, 101 (1981)]. In contrast, using electron impact ionization, the clusters are strongly fragmented when varying the electron energy between 150 and 1 500 eV. The number of evaporated molecules depends on the cluster size and the energy dependence follows that of the stopping power of the solid material. Therefore we attribute the operating mechanism to that which is also responsible for the electronic sputtering of solid matter. The yields, however, are orders of magnitude larger for clusters than for the solid. This result is a consequence of the finite dimensions of the clusters which cannot accommodate the released energy. Received 21 November 2001     

Solvation and chemical reaction of sodium in water clusters

Na_m(H₂O)_n Clusters ( n = 1...200, m = 1...50) are formed in a recently build pick-up arrangement. Preformed water clusters traverse a sodium oven, where sodium atoms are picked up. At low sodium vapour pressure ( < 1×10^-4 mbar) pure Na(H₂O)_n clusters are observed in the mass spectra. At high sodium vapour pressure ( > 1×10^-3 mbar) the water cluster pick up more than 50 Na atoms and reaction products Na(NaOH)_n ( n = 2, 4...50) dominate the mass spectra. The even number of NaOH units in the products indicate that also in a finite cluster the reaction occurs in pairs as in the macroscopic reaction. Received 4 December 2000     

Electron capture in the ion-cluster collision: effect of the electronic interaction

We investigate the electron capture occurring in the collision between an ion A⁺ and a cluster A_n (n = 5). The process has been modelled within the Hubbard Hamiltonian,which takes into account the intrasite U electron correlation. An exact procedure has been numerically applied which involves all the excited states to examine the time evolution of the system during the collision. We have applied the model to the sodium case. We have investigated the time evolution of the electron population during the collision on the projectile versus the kinetic energy of the projectile. It displays some oscillations which means that the electron exchanges between the ion and the cluster occurs alternatively in one direction and the other. We also vary U and examine its influence on the dynamics of the oscillation of the average population. Finally the cross section is derived versus the energy and U. Received 29 November 2000     

Phase separation of polymer blends in solution near adsorbing surface

In this paper, we consider a mixture of two polymers A and B of different chemical nature, dissolved in a common good solvent, in contact with an interacting surface. We start from a mixture of two incompatible homopolymers A and B in the molten state, and assume that the surface adsorbs strongly one or both polymer species at high temperature. It is assumed that this is a strong adsorption, so that chains cannot desorb once they are linked to the surface. This constrains the system to a quenched composition on the surface. Once the adsorption process is finished, a quantity of a good solvent is added to get a semi-dilute solution. We assume that demixing transition in the presence of solvent occurs at lower temperature. The purpose is to discuss the influence of the quenched surface fluctuations on the critical properties of the mixture. Within the framework of the so-called blob model, we determine the exact shape of the composition profile as a function of the distance z to the surface, for any value of the relevant parameters, namely, the temperature T, the molecular weight M, the monomer concentration c and the surface composition x₀. Our analysis reveals a universal character of the composition profile for , where the characteristic size D is some known length depending on the relevant parameters of the problem, and not on temperature, and is the thermal correlation length. Near surface, for (a is the monomer size), the profile is no longer universal, and in particular, it is sensitive to the boundary condition. Far from the surface, that is , the profile tends exponentially to its bulk value. We show that the length Dapproaches its lowest value as the surface composition reaches its saturated value l. In this limit, we find that the profile shape is a characteristic of critical adsorption in simple binary fluid mixtures. Finally, this work must be regarded as a natural extension of a previous one, which was concerned with the same problem, but in the absence of solvent. Received 24 June 1999 and Received in final form 5 November 1999     

Collisional quenching of metastable states of antiprotonic helium by hydrogen and deuterium molecules

The quenching of metastable states of antiprotonic helium by collisions with hydrogen and deuterium molecules was studied. A systematic investigation of the delayed annihilation time spectra at various H₂ and D₂ admixture ratios at the ppm level revealed characteristic changes of their shape, which indicated a strong principal and orbital quantum number dependent quenching of levels in both cases. Applying a laser spectroscopy technique to measure the lifetimes of individual states and cascades we deduced H₂ and D₂ quenching cross-sections for the states (n, l )= (39, 35) and (37, 34). These cross-sections establish for D₂ molecules the strong increase of the quenching efficiency with increasing principal quantum number n of the state under investigation previously reported for the case of H₂ admixtures. Our experiments indicate that the low-n state (37, 34) is somewhat less affected by D₂ than by H₂, while the high-n state (39, 35) is equally quenched by both isotopes. Received 2 October 2000     

Fragmentation of water clusters: Molecular-dynamics simulation study

The fragmentation of water clusters, [(H ₂ O)_n;n = 2-8], have been investigated by using molecular-dynamics simulation method. In the simulations a polarizable-dissociable potential energy function for water has been used. Particular attention has bee paid to investigate the effect of structural properties and cluster size on the fragmentation. Received 27 April 2000 and Received in final form 6 October 2000     

Ursell operators in statistical physics of dense systems: the role of high order operators and of exchange cycles

The purpose of this article is to discuss cluster expansions in dense quantum systems, as well as their interconnection with exchange cycles. We show in general how the Ursell operators of order l≥ 3 contribute to an exponential which corresponds to a mean-field energy involving the second operator U₂, instead of the potential itself as usual - in other words, the mean-field correction is expressed in terms of a modification of a local Boltzmann equilibrium. In a first part, we consider classical statistical mechanics and recall the relation between the reducible part of the classical cluster integrals and the mean-field; we introduce an alternative method to obtain the linear density contribution to the mean-field, which is based on the notion of tree-diagrams and provides a preview of the subsequent quantum calculations. We then proceed to study quantum particles with Boltzmann statistics (distinguishable particles) and show that each Ursell operator U_n with n≥ 3 contains a “tree-reducible part”, which groups naturally with U₂ through a linear chain of binary interactions; this part contributes to the associated mean-field experienced by particles in the fluid. The irreducible part, on the other hand, corresponds to the effects associated with three (or more) particles interacting all together at the same time. We then show that the same algebra holds in the case of Fermi or Bose particles, and discuss physically the role of the exchange cycles, combined with interactions. Bose condensed systems are not considered at this stage. The similarities and differences between Boltzmann and quantum statistics are illustrated by this approach, in contrast with field theoretical or Green's functions methods, which do not allow a separate study of the role of quantum statistics and dynamics. Received 18 October 2001     

Structures and its evolution of Ba n ( n =2 ∼ 14) clusters

We have studied the atomic structure and the electronic properties of Ba_n clusters by the ab initio molecular dynamics method. We find that a structural transition to the bulk-like structure begins at Ba₉ cluster, and the structures of the clusters are transferred to be icosahedral-like around n = 13. The relatively high stability for Ba₄, Ba₁₀ and Ba₁₃ clusters are observed. Received 1st December 2000     

Multiscaling and multifractality in an one-dimensional Ising model

Scaling properties of the Gibbs distribution of a finite-size one-dimensional Ising model are investigated as the thermodynamic limit is approached. It is shown that, for each nonzero temperature, coarse-grained probabilities of the appearance of particular energy levels display multiscaling with the scaling length ℓ = 1/M _n, where n denotes the number of spins and M_n is the total number of energy levels. Using the multifractal formalism, the probabilities are argued to reveal also multifractal properties. Received 10 July 2000 and Received in final form 6 November 2000     

A remark on the large difference between the glueball mass and T<Subscript>c</Subscript> in quenched QCD

The lattice QCD studies indicate that the critical temperature T _c ≃ 260-280 MeV of the deconfinement phase transition in quenched QCD is considerably smaller than the lowest-lying glueball mass m _G ≃ 1500-1700 MeV, i.e., T _c ≪ m _G. As a consequence of this large difference, the thermal excitation of the glueball in the confinement phase is strongly suppressed by the statistical factor e ^-mG/Tc ≃ 0.00207 even near T ≃ T _c. We consider its physical implication, and argue the abnormal feature of the deconfinement phase transition in quenched QCD from the statistical viewpoint. To appreciate this, we demonstrate a statistical argument of the QCD phase transition using the recent lattice QCD data. From the phenomenological relation between T _c and the glueball mass, the deconfinement transition is found to take place in quenched QCD before a reasonable amount of glueballs is thermally excited. In this way, quenched QCD reveals a question “what is the trigger of the deconfinement phase transition ?” Received: 18 November 2002 / Accepted: 4 February 2003 / Published online: 29 April 2003     

Observation of multiply charged silver-cluster anions

Singly charged silver-cluster anions are produced in a laser vaporization source and transferred into a Penning trap. After size selection the clusters are subjected to an electron bath in the trap, which results in the attachment of further electrons. The relative abundance of dianions or trianions as a function of the clusters' size is analyzed by time-of-flight mass spectrometry. Silver-cluster dianions are observed for sizes n≥ 24 and trianions for n > 100. In addition, a detailed study of the cluster sizes 24 ?n? 60 shows a pronounced resistance to electron attachment for singly charged anions Ag_n ^- with a closed electronic shell, in particular Ag₂₉ ^-, Ag₃₃ ^-, and Ag₃₉ ^-. Both the threshold size for the observation of dianionic silver clusters and the shell effects in the production yield correlate favorably with previous theoretical investigations of the respective electron affinities. Received 24 November 2000     

Intracluster electron transfer from a metal atom/cluster followed by anionic oligomerization of vinyl molecules

Intracluster electron transfer and oligomerization reaction were investigated by mass spectrometry of clusters of alkali metal atom (M) with acrylonitrile (AN; CH₂=CHCN). In the photoionization mass spectra of M(AN)_n, magic numbers were clearly observed at n = 3k (k = 1-4 for M = Na and K, k = 1 for M = Li). The results of photodissociation of neutral K(AN)_n indicate that the n = 3 cluster has an anomalous stability relative to other sizes of clusters. The C=C bond in vinyl molecules is also found to be necessary to form the magic numbers by measuring the photoionization mass spectrum of K atom with propionitrile. These results strongly support the intracluster anionic oligomerization reaction initiated by electron transfer from the alkali atom. The quantum chemical calculations have revealed that the evaporation induced by excess energy generated by intracluster oligomerization is important to form the magic numbers in the present clusters. Received 29 November 2000     

Transport theory for a scalar quark & gluon model

A model for scalar quarks and gluons that successfully gives rise to a ln s behavior in high-energy qq scattering and which contains a non-trivial three-gluon vertex is used to study collision theory with the following aspects: i) A three-body interaction simulating QCD is present and ii) particle production and annihilation occur naturally. In this paper, the collision term in the model is examined in detail in the quasiparticle approximation. The construction of cross-sections in which self-energy terms are ordered according to a coupling constant expansion is undertaken. It is shown explicitly which terms of second order are required to obtain the scattering amplitudes that are two body in nature. Additional ordering in the number of colors shows that quark loop diagrams are suppressed and gluon production or scattering processes dominate. It is also shown that a consistent calculation of the scattering graphs at the two-loop level also simultaneously yields terms that renormalize one-loop level graphs. This can then be extended to arbitrary m↦n processes. We examine the constraint equation briefly, discussing the appearance of a width. The issue of pinch singularities is also addressed, and examples of the elimination of such singularities in equilibrium are given explicitly. Received: 7 November 2001 / Accepted: 12 June 2001     

Low–energy photodisintegration of 9Be and α+α+n→9Be +γ reactions at astrophysical conditions

A semi–microscopic model for the low–energy photodisintegration of the ⁹Be nucleus is constructed, and the experimental data are analyzed with its help. The older radioactive isotope data are supported by this analysis. The theoretical photodisintegration cross section is derived. The astrophysical rates for the reaction α+α+n→⁹Be+γ and the reverse photodisintegration of ⁹Be are calculated. The new reaction rate for α+α+n→⁹Be+γ is compared with previous estimations. Received: 19 January 1998     

Decay pathways of small gold clusters

The decay pathway competition between monomer and dimer evaporation of photoexcited cluster ions Au ⁺ _n, n = 2-27, has been investigated by photodissociation of size-selected gold clusters stored in a Penning trap. For n > 6 the two decay pathways are distinguished by their experimental signature in time-resolved measurements of the dissociation. For the smaller clusters, simple fragment spectra were used. As in the case of the other copper-group elements, even-numbered gold cluster ions decay exclusively by monomer evaporation, irrespective of their size. For small odd-size gold clusters, dimer evaporation is a competitive alternative, and the smaller the odd-sized clusters, the more likely they decay by dimer evaporation. In this respect, Au ⁺ ₉ shows an anomalous behavior, as it is less likely to evaporate dimers than its two odd-numbered neighbors, Au ⁺ ₇ and Au ⁺ ₁₁. This nonamer anomaly is typical for copper-group cluster ions M ⁺ ₉ (M = Cu, Ag, Au) and a similar behavior is found in the anionic heptamers M ^- ₇. It is discussed in terms of the well-known electronic shell closing at n _e = 8 atomic valence electrons. Received 2 November 2000     

Ultrafast dynamics in the excited hydrogen atom transfer states of ammonia clusters

Neutral ammonia clusters (NH₃)_m are photo-excited to the electronic state by a deep UV femtosecond laser pump pulse. Within a few hundred femtoseconds a significant fraction of the clusters rearrange to form an H-transfer state (NH₃)_m-2NH₄(3s)NH₂ with the subunit NH₄ in its 3s electronic ground state. This state is then electronically excited by a time-delayed infrared control pulse of variable wavelength. Finally, a third (probe) pulse in the UV ionizes the clusters for detection. The lifetime of the excited (NH₃)_m-2NH₄(3p)NH₂ states is found to vary between 2.7 and 0.13 ps depending on cluster size and excitation energy. It increases drastically upon deuteration. The corresponding cluster size-dependent photoelectron spectra allow us to disentangle the underlying energetics of the excitation and ionization process and reveal additional processes, such as nonresonant ionization or dissociative ionization. The experimental findings suggest that the excited H-transfer ammonia complexes with m > 2 are deactivated by an internal conversion process back to the electronically lowest H-transfer state followed by fast dissociation. Received 22 September 2001 and Received in final form 31 January 2002     

Coupled aggregation and sedimentation processes: Three-dimensional off-lattice simulations

Coupled aggregation and sedimentation processes were studied by means of three-dimensional computer simulations. For this purpose, a large prism with no periodic boundary conditions for the sedimentation direction was considered. Furthermore, three equally sized and mutually excluded regions were defined inside the prism, a top, a middle and a bottom region. This allows to study the time evolution of the cluster size distribution and the cluster structure separately for each region. The mass distribution profile and the center-of-mass position were also accessed as a function of time. For the bottom region, the effects of the sediment formation on the kinetics of growth and on the cluster structure were clearly observed. The obtained results not only agree with the experimental data obtained by Allain et al. (C. Allain, M. Cloitre, M. Wafra, Phys. Rev. Lett. 74, 1478 (1995)) and with the simulations made by Gonzalez (A.E. Gonzalez, Phys. Rev. Lett. 86, 1243 (2001)), but also allow to gain further insight into the details. Received 7 November 2001