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     

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     

Nuclear matter properties and relativistic mean-field theory

Nuclear matter properties are calculated in the relativistic mean-field theory by using a number of different parameter sets. The result shows that the volume energy a₁ and the symmetry energy J are around the acceptable values 16MeV and 30MeV, respectively; the incompressibility K₀ is unacceptably high in the linear model, but assumes reasonable value if nonlinear terms are included; the density symmetry L is around 100MeV for most parameter sets, and the symmetry incompressibility K _s has positive sign which is opposite to expectations based on the nonrelativistic model. In almost all parameter sets there exists a critical point (,), where the minimum and the maximum of the equation of state are coincident and the incompressibility equals zero, falling into ranges 0.014fm^-3 < < 0.039fm^-3 and 0.74 < ≤0.95; for a few parameter sets there is no critical point and the pure neutron matter is predicted to be bound. The maximum mass M _NS of neutron stars is predicted in the range 2.45M ?M _NS? 3.26M , the corresponding neutron star radius R _NS is in the range 12.2km ?R _NS? 15.1km. Received: 5 May 2000 / Accepted: 28 November 2000     

Radiative transitions in highly ionised silicon-like ions

Transition energies, oscillator strengths and transition probability values for radiative transitions have been calculated for the highly ionised atoms of Si isoelectronic sequence from Mn¹¹⁺ to Kr²²⁺ for the singly excited states up to principal quantum number n = 7. Time-dependent coupled Hartree-Fock (TDCHF) theory has been used to estimate such transition properties. Most of the results for the oscillator strengths and transition probabilities are new. Transition energies agree reasonably well with available spectroscopic values. Received 25 January 2000 and Received in final form 24 October 2000     

Tight-binding study of structural and electronic properties of silver clusters

Tight-binding model is developed to study the structural and electronic properties of silver clusters. The ground state structures of Ag clusters up to 21 atoms are optimized by molecular dynamics-based genetic algorithm. The results on small Ag_n clusters (n = 3-9) are comparable to ab initio calculations. The size dependence of electronic properties such as density of states, s-d band separation, HOMO-LUMO gap, and ionization potentials are discussed. Magic number behavior at Ag₂, Ag₈, Ag₁₄, Ag₁₈, Ag₂₀ is obtained, in agreement with the prediction of electronic ellipsoid shell model. We suggest that both the electronic and geometrical effect play significant role in the coinage metal clusters. Received 7 August 2000     

Neutrons produced by 1.22 GeV antiproton interactions with nuclei

Inclusive neutron energy spectra were measured by time of flight using 1.22 GeV antiprotons from LEAR, CERN, as projectiles and targets from natural Al, Cu, Ag, Ho, Ta, Au, Pb, Bi, U. The sum of two Maxwellian distributions was fitted to the spectra obtained at several forward and backward angles yielding neutron multiplicities M_i and slope or temperature parameters T _i for the low-energy (evaporative, i=1) and high-energy (pre-equilibrium,i=2) parts, respectively. M ₁ increases with A, proportional to the nuclear volume, and M ₂ is growing with A , proportional to the nuclear radius. The T parameters are nearly independent of A. The results are compared with previous multiplicity measurements with a neutron detector, intranuclear cascade calculations and neutron spectra from stopped antiproton annihilation on nuclei. With the measured proton spectra also the ratio of emitted neutrons to protons was determined for Au. Received: 25 February 2000 / Accepted: 19 May 2000     

High energy collisions of protonated water clusters

We have measured attenuation cross sections and fragmentation cross sections for protonated water clusters H(H₂O)_n ⁺ (n = 1 to 100) colliding with noble gas atoms (He and Xe) at a laboratory energy of 50 keV. In collisions with He, a transparency effect in the attenuation cross section was observed. For the case of fragmentation in collisions with Xe, a strong enhancement of small clusters was observed which we attribute to multifragmentation. Received 30 November 2000     

Multifractal properties of aperiodic Ising model on hierarchical lattices: role of the geometric fluctuations

The role of the geometric fluctuations on the multifractal properties of the local magnetization of aperiodic ferromagnetic Ising models on hierarchical lattices is investigated. The geometric fluctuations are introduced by generalized Fibonacci sequences. The local magnetization is evaluated via an exact recurrent procedure encompassing real space renormalization group decimation. The symmetries of the local magnetization patterns induced by the aperiodic couplings is found to be strongly (weakly) different, with respect to the ones of the corresponding homogeneous systems, when the geometric fluctuations are relevant (irrelevant) to change the critical properties of the system. At the criticality, the measure defined by the local magnetization is found to exhibit a non-trivial F(α) spectra being shifted to higher values of α when relevant geometric fluctuations are considered. The critical exponents are found to be related with some special points of the F(α) function and agree with previous results obtained by the quite distinct transfer matrix approach. Received 2 April 2001 and Received in final form 14 August 2001     

Exact diagonalization of the S = 1/2 XY ferromagnet on finite bcc lattices to estimate T = 0 properties on the infinite lattice

In this paper finite bcc lattices are defined by a triple of vectors in two different ways - upper triangular lattice form and compact form. In Appendix A are lists of some 260 distinct and useful bcc lattices of 9 to 32 vertices. The energy and magnetization of the S = 1/2 XY ferromagnet have been computed on these bcc lattices in the lowest states for S _z = 0, 1/2, 1 and 3/2. These data are studied statistically to fit the first three terms of the appropriate finite lattice scaling equations. Our estimates of the T = 0 energy and magnetization agree very well with spin wave and series expansion estimates. Received 1st August 2000 and Received in final form 22 December 2000     

Charge transfer between alkali cluster ions and atoms in the 1 to 10 keV collisional energy range

The cross-sections for collisional charge transfer between singly charged free clusters M _n ⁺ (M = Li, Na; n=1...50) and atomic targets A (cesium, potassium) have been measured as a function of collisional relative velocity in laboratory energy range 1–10 keV. For each cluster size, the experimental values of the charge transfer cross-section are fitted with an universal parametric curve with two independent parameters and v_m, the maximum cross-section and the corresponding velocity. For small size clusters (), the characteristic parameters show strong variations with the number of atoms in the cluster. Abrupt dips observed for n=10 and n=22 are attributed to electronic properties. Charge transfer patterns observed for various collisional systems present similarities, which appear more sensitive to cluster quantum size effects than to collision energy defects. In their whole, the and v_m parameters show differences in both their size evolution and their absolute values discussed in term of projectile and target electronic structures. Received 13 April 2000 and Received in final form 29 June 2000     

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     

Magnetic moments for lithium quartet S states

The fully correlated calculations of the Zeeman g_J factors for the first three quartet S states of lithium are presented, including relativistic and radiative corrections of orders α², α² m/M, and α³. The isotope shifts in g_J are predicted precisely for various isotopes of lithium. Received 4 December 2000 and Received in final form 26 September 2001     

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     

Charmonium suppression by gluon bremsstrahlung in p-A and A-B collisions

Prompt gluons are an additional source for charmonium suppression in nuclear collisions, in particular for nucleus-nucleus collisions. These gluons are radiated as bremsstrahlung in N-N collisions and interact inelastically with the charmonium states while the nuclei still overlap. The spectra and mean number <n _g> of the prompt gluons are calculated perturbatively and the inelastic cross section σ_abs ^Ψg is estimated. The integrated cross sections σ(A B →J/ψX) for p-A and A-B collisions and the dependence on transverse energy for S-U and Pb-Pb can be described quantitatively with some adjustment of one parameter <n _g>σ_abs ^Ψg. Received: 20 August 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     

Universal crossing probabilities and incipient spanning clusters in directed percolation

Shape-dependent universal crossing probabilities are studied, via Monte Carlo simulations, for bond and site directed percolation on the square lattice in the diagonal direction, at the percolation threshold. In a dynamical interpretation, the crossing probability is the probability that, on a system with size L, an epidemic spreading without immunization remains active at time t. Since the system is strongly anisotropic, the shape dependence in space-time enters through the effective aspect ratio r _eff = ct/L ^z, where c is a non-universal constant and z the anisotropy exponent. A particular attention is paid to the influence of the initial state on the universal behaviour of the crossing probability. Using anisotropic finite-size scaling and generalizing a simple argument given by Aizenman for isotropic percolation, we also obtain the behaviour of the probability to find n incipient spanning clusters on a finite system at time t. The numerical results are in good agreement with the conjecture. Received 10 February 2003 Published online 20 June 2003 RID="a" ID="a"e-mail: turban@lpm.u-nancy.fr RID="b" ID="b"UMR CNRS 7556     

c-axis tunneling on YBCO films

We have measured I(V) characteristics of c-axis planar tunnel junctions on Y₁Ba₂Cu₃O _{7 - δ} films. Our results and their analysis provide experimental support for the importance of the two-dimensional character of the YBCO band structure, and a method to measure the ratio between the Fermi energy of YBCO and the barrier height. The analysis is based on the relation between the linear conductance background, related to the inelastic tunneling component, and the zero bias conductance, related to the elastic one. Received 24 September 2000 and Received in final form 15 November 2000     

Eigenstates of an operating quantum computer: hypersensitivity to static imperfections

We study the properties of eigenstates of an operating quantum computer which simulates the dynamical evolution in the regime of quantum chaos. Even if the quantum algorithm is polynomial in number of qubits n_q, it is shown that the ideal eigenstates become mixed and strongly modified by static imperfections above a certain threshold which drops exponentially with n_q. Above this threshold the quantum eigenstate entropy grows linearly with n_q but the computation remains reliable during a time scale which is polynomial in the imperfection strength and in n_q. Received 7 March 2002/ Received in final form 3 May 2002 Published online 19 July 2002