Cluster ion emission from LiF induced by MeV N<Superscript>q+</Superscript> projectiles and <Superscript>252</Superscript>Cf fission fragments

Ion cluster desorption yields from LiF were measured at PUC-Rio with ≈0.1 MeV/u N ^q+ (q = 2,4,5,6) ion beams by means of a time-of-fight (TOF) mass spectrometer. A ²⁵²Cf source mounted in the irradiation chamber allows immediate comparison of cluster emissions induced by ≈65 MeV fission fragments (FF). Emission of (LiF) _n Li⁺ clusters are observed for both the N beams and the ²⁵²Cf fission fragments. The observed cluster size n varies from 1 to 6 for N ^q+ projectiles and from 1 to ≈40 for the ²⁵²Cf-FF. The size dependence of the Y(n) distributions suggests two cluster formation regimes: (i) recombination process in the outgoing gas phase after impact and (ii) emission of pre-formed clusters from the periphery of the impact site. The corresponding distribution of ejected negative cluster ions (LiF) _n F⁻ closely resembles that of the positive secondary (LiF) _n Li⁺ ions. The desorption yields of positive ions scale as Y(n) ∼ q ⁵. A calculation with the CASP code shows that this corresponds to a cubic scaling ∼S _e ³ with the electronic stopping power S _e , as predicted by collective shock wave models for sputtering and models involving multiple excitons (Frenkel pair sputtering). We discuss possible interpretations of the functional dependence of the evolution of the cluster emission yield Y(n) with cluster size n, fitted by a number of statistical distributions.     

Vibrational Feshbach resonances in electron attachment to carbon dioxide clusters

Using a high resolution ( meV) laser photoelectron attachment method, we have studied the formation of (CO ₂) _q ⁻ ions (q = 4−22) in collisions of low energy electrons (1−180 meV) with (CO₂) _N () clusters. The previously reported “zero energy resonance”, observed at much larger electron bandwidths, actually consists of several narrow vibrational Feshbach resonances of the type [(CO ₂) _{N −1}CO which involve a vibrationally-excited molecular constituent ( denotes vibrational mode) and a diffuse electron weakly bound to the cluster by long range forces. The resonances occur at energies below those of the vibrational excitation energies of the neutral clusters [(CO ₂) _{N −1}CO ]; the redshift rises with increasing cluster ion size q by about 12 meV per unit; these findings are recovered by a simple model calculation for the size dependent binding energies. The size distribution in the cluster anion mass spectrum, resulting from attachment of very slow electrons, mainly reflects the amount of overlap of solvation-shifted vibrational resonances with zero energy; the cluster anion size q is identical with or close to that of the attaching neutral cluster. Received 11 January 2000 and Received in final form 10 April 2000     

Physisorption kinetics of electrons at plasma boundaries

Plasma-boundaries floating in an ionized gas are usually negatively charged. They accumulate electrons more efficiently than ions leading to the formation of a quasi-stationary electron film at the boundaries. We propose to interpret the build-up of surface charges at inert plasma boundaries, where other surface modifications, for instance, implantation of particles and reconstruction or destruction of the surface due to impact of high energy particles can be neglected, as a physisorption process in front of the wall. The electron sticking coefficient s_e and the electron desorption time τ_e, which play an important role in determining the quasi-stationary surface charge, and about which little is empirically and theoretically known, can then be calculated from microscopic models for the electron-wall interaction. Irrespective of the sophistication of the models, the static part of the electron-wall interaction determines the binding energy of the electron, whereas inelastic processes at the wall determine s_e and τ_e. As an illustration, we calculate s_e and τ_e for a metal, using the simplest model in which the static part of the electron-metal interaction is approximated by the classical image potential. Assuming electrons from the plasma to loose (gain) energy at the surface by creating (annihilating) electron-hole pairs in the metal, which is treated as a jellium half-space with an infinitely high workfunction, we obtain s_e≈10^-4 and τ_e≈10^-2 s. The product s_eτ_e≈10^-6 s has the order of magnitude expected from our earlier results for the charge of dust particles in a plasma but individually s_e is unexpectedly small and τ_e is somewhat large. The former is a consequence of the small matrix elements occurring in the simple model while the latter is due to the large binding energy of the electron. More sophisticated theoretical investigations, but also experimental support, are clearly needed because if s_e is indeed as small as our exploratory calculation suggests, it would have severe consequences for the understanding of the formation of surface charges at plasma boundaries. To identify what we believe are key issues of the electronic microphysics at inert plasma boundaries and to inspire other groups to join us on our journey is the purpose of this colloquial presentation.     

Model of metal surface erosion under irradiation by high-power pulsed ion beams

The mechanisms of erosion of metal surfaces under the action of submicrosecond (10⁻⁹−10⁻⁶ s) ion beams in the power density range of P = 10⁶−10⁹ W/cm² with a particle energy of 1–2000 keV are considered. It is shown that the collective processes associated with the radiation heating of the surface are of great importance. A model for the erosion is proposed. In accordance with this model, the flow of atoms of the target leaving the surface being irradiated consists of two independent components caused by collisional sputtering and evaporation, respectively. The influence of the irradiation parameters on the erosion coefficient and the ratio between the sputtering and evaporation factors is analyzed.     

Fusion, resonances and scattering in12C+12C reaction

The variation of fusion cross-section (σJ_fus) with energy in the¹²C+¹²C collision is linked to the underlying resonance phenomenon through the behavior of reaction cross-section (σ) of which σ_fus is taken as a part. The calculation of σ_fus is done through an energy-dependent imaginary potential in the optical model potential (OMP). Through dispersion relation, such an imaginary potential gives rise to energy-dependent real potential which is incorporated in the OMP. In our calculation, a form of potential for the nuclear part which has a soft repulsive in-built core is introduced based on similar works done earlier. The calculated results of σ_fus are used to explain the oscillatory structure, astrophysical S-factor and the decreasing trend at higher energies of the experimental σ_fus data in the case of¹²C+¹²C system with remarkable success. The potential used for fusion calculation is tested for fitting elastic scattering data at some energies and is found good in forward angles. Further improvement of the fitting of these data is obtained by incorporating a coupling potential in the surface region. About twenty resonances are observed in our calculation in the specific partial waves and some of them are found close to the experimentally identified resonances in¹²C+¹²C reaction. Thus, we provide an integrated and comprehensive analysis of fusion, resonance and scattering data in the best studied case of¹²C+¹²C reaction within the framework of optical potential model.     

On the thermodynamics of phase transitions in metal hydrides

Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier’s principle of thermodynamics to a particular phase transition in TiH _x , which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H⁺ ions and of the distance between adjacent H⁺ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H⁺ ions (‘collective modes’) increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H⁺ ions with collective modes makes a tiny suprathermal fraction of the H⁺ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.     

Vacuum-ultraviolet plasma Frenkel excitons: Elementary excitations of polymerized fullerene

The high-frequency excitations of the molecular insulator C₆₀ are investigated theoretically. The model of a quantum well rolled into a sphere is used to calculate the dipole (multipole in the general case) modes of an individual C₆₀ cluster. If the spectrum and oscillator strengths of the collective modes of an individual cluster are known, the microscopic continuum approach can be used to calculate the spectrum of delocalized excitations in a cluster crystal. Then the ordinary dielectric constant formalism permits calculation of the optical characteristics of the material in the vacuum ultraviolet region studied. Fiz. Tverd. Tela (St. Petersburg) 40, 913–915 (May 1998)     

Collective electronic excitations in a semiconductor superlattice in the Landau and Wannier-Stark ladder regime

Using a mean-field approximation, we have developed a systematic treatment of collective electronic modes in a semiconductor superlattice (SL) in the presence of strong electric and magnetic fields parallel to the SL axis. The spectrum of collective modes with zero wavevector along the SL axis is shown to consist of a principle magnetoplasmon mode and an infinite set of Bernstein-like modes. For non-zero wavevector along the SL axis, in addition to the cyclotron modes, extra collective modes are found at the frequencies |Nω _c±Mω _s|, which we call cyclotron-Stark modes (ω _c and ω _s are respectively the cyclotron and Stark frequencies, N and M are integer numbers). The frequencies of the modes propagating in “oblique” direction with respect to the SL axis show oscillatory behavior as a function of electric field strength. All the modes considered have very weak spatial dispersion and they are not Landau damped. The specific predictions made for the dispersion relations of the collective excitations should be observable in resonant Raman scattering experiments. Received 29 August 2002 / Received in final form 25 February 2003 Published online 4 June 2003 RID="a" ID="a"e-mail: 612033@inbox.ru     

Electric field gradient in Cu2O from band structure calculations

We have performed self-consistent full potential LAPW calculations of Cu₂O. Since the new results agree well with a previous muffin-tin calculation, it can be concluded that non-muffin-tin effects are relatively small in Cu₂O. By using the present self-consistent charge density, we, obtain the electric field gradient (EFG) at the Cu site without further approximations. Our theory yields a value of −0.85 e/au³, in good agreement with experiment but in contrast to a previous cluster calculation in which a positive sign of the EFG was obtained. The origin of the EFG and the discrepancies between our band structure and the cluster calculation is analyzed.     

Nanoplasma dynamics in Xe clusters driven by ultraintense laser fields

We present a theoretical and computational study of the properties and the response of the nanoplasma and of outer ionization in Xe_n clusters (n = 55–2171, initial cluster radius R₀ = 8.7–31.0 ?) driven by ultraintense near-infrared laser fields (peak intensity I_M = 10¹⁵–10²⁰ Wcm^-2, temporal pulse length τ= 10–100 fs, and frequency ν= 0.35 fs^-1). The positively charged high-energy nanoplasma produced by inner ionization nearly follows the oscillations of the fs laser pulse and can either be persistent (at lower intensities of I_M = 10¹⁵–10¹⁶ Wcm^-2 and/or for larger cluster sizes, where the electron energy distribution is nearly thermal) or transient (at higher intensities of I_M = 10¹⁸–10²⁰ Wcm^-2 and/or for smaller cluster sizes). The nanoplasma is depleted by outer ionization that was semiquantitatively described by the cluster barrier suppression electrostatic model, which accounts for the cluster size, laser intensity and pulse length dependence of the outer ionization yield. The electrostatic model was further utilized for estimates of the laser intensity and pulse width dependence of the border radius R₀ ^(I) for the attainment of complete outer ionization at , while at R₀ > R₀ ^(I) a persistent nanoplasma prevails. R₀ ^(I) establishes an interrelationship between electron dynamics and nuclear Coulomb explosion dynamics in ultraintense laser-cluster interactions.     

Molecular orientation dependence of ortho-para H2 conversion on Fe(OH)3 cluster induced by hyperfine contact interaction

We investigate the molecular orientation dependence of the (o)rtho-(p)ara H₂ conversion on Fe(OH)₃ cluster. Taking Fermi's contact interaction as perturbation, we find that the o-p H₂ conversion yield for the molecular orientation angle θ= 10^○ with respect to the surface normal is larger than that for θ= 70^○.     

Level structure of 99Rh at high spins

High spins states in ⁹⁹Rh were populated via the ⁶⁶Zn(³⁷Cl, 2p2n)⁹⁹Rh reaction at an incident beam energy of 130 MeV. Seventeen new transitions have been observed in the present study and the level scheme has now been extended up to a spin of J∼ 25ħ and an excitation energy of about E _x∼ 10 MeV. The observation of a positive parity E2 cascade based on the 9/2⁺ isomeric level is suggestive of collective behaviour in this nucleus up to high spins. Spherical shell model (within restricted model space) and Cranked shell model calculations were performed to obtain an insight into the observed level structure. The new collective band observed up to a spin of J∼ 25ħ is suggested to be based on (πg _9/2 ³) ⊗ (νg _7/2 ²) quasi-particle excitations. Received: 12 July 1999 / Revised version: 14 September 1999     

Slow relaxation experiments in disordered charge and spin density waves: collective dynamics of randomly distributed solitons

We show that the dynamics of disordered charge density waves (CDWs) and spin density waves (SDWs) is a collective phenomenon. The very low temperature specific heat relaxation experiments are characterized by: (i) “interrupted” ageing (meaning that there is a maximal relaxation time); and (ii) a broad power-law spectrum of relaxation times which is the signature of a collective phenomenon. We propose a random energy model that can reproduce these two observations and from which it is possible to obtain an estimate of the glass cross-over temperature (typically T _g≃ 100-200 mK). The broad relaxation time spectrum can also be obtained from the solutions of two microscopic models involving randomly distributed solitons. The collective behavior is similar to domain growth dynamics in the presence of disorder and can be described by the dynamical renormalization group that was proposed recently for the one dimensional random field Ising model [D.S. Fisher, P. Le Doussal, C. Monthus, Phys. Rev. Lett. 80, 3539 (1998)]. The typical relaxation time scales like ∼τexp(T _g/T). The glass cross-over temperature T_g related to correlations among solitons is equal to the average energy barrier and scales like T _g∼ 2xξΔ. x is the concentration of defects, ξ the correlation length of the CDW or SDW and Δ the charge or spin gap. Received 12 December 2001     

Stability of muon-oxygen bond sites in RBa2Cu3O7

Relative energies of muon probe sites in the chain region of RBa₂Cu₃O₇ (RBCO) are investigated using a molecular quantum chemistry calculation for (Oμ)⁻ embedded in a cluster of point charges to simulate local charge distributions in RBCO. Partial Cu−O chain covalency results in a O-μ...O muon site between the chain and bridging oxygens. However, Cu-μ “hydride”-like sites are suggested by results for nominally ionic clusters.     

Structure determination, valence, and superexchange in the dimerized low temperature phase of α ′ - NaV 2 O 5

We report results of a new analysis for the low-temperature structure of α ^′ -NaV₂O₅ from synchrotron X-ray diffraction experiments. We confirm the existence of two inequivalent ladder structures in each vanadium layer. Based on our structural data we perform a bond-valence calculation for the vanadium sites in the low temperature state. Due to an asymmetric charge ordering we obtain only two different vanadium valences despite the three inequivalent sites. This explains the ⁵¹V-NMR observation of only two resonant peaks in the charge ordered phase. By use of a Slater-Koster method to obtain hopping matrix elements and cluster calculations we obtain effective vanadium-vanadium hoppings which compare well to LDA results. Using these in a cluster calculation we obtain a superexchange of 0.047 eV between electrons on neighbouring rungs of the same ladder for the undistorted phase. For the distorted phase we find a significant alternation in the shifts of the oxygen atoms along the legs of one of the two ladder types which leads to a significant exchange dimerisation δ _J ≈ 0.25. Received 24 November 2000     

Construction of the Incipient Infinite Cluster for Spread-out Oriented Percolation Above 4 + 1 Dimensions

 We construct the incipient infinite cluster measure (IIC) for sufficiently spread-out oriented percolation on ℤ ^d × ℤ₊, for d +1 > 4+1. We consider two different constructions. For the first construction, we define ℙ ⁿ (E) by taking the probability of the intersection of an event E with the event that the origin is connected to (x,n)  ℤ ^d × ℤ₊, summing this probability over x  ℤ ^d , and normalising the sum to get a probability measure. We let n → ∞ and prove existence of a limiting measure ℙ_∞, the IIC. For the second construction, we condition the connected cluster of the origin in critical oriented percolation to survive to time n, and let n → ∞. Under the assumption that the critical survival probability is asymptotic to a multiple of n ⁻¹, we prove existence of a limiting measure ℚ_∞, with ℚ_∞ = ℙ_∞. In addition, we study the asymptotic behaviour of the size of the level set of the cluster of the origin, and the dimension of the cluster of the origin, under ℙ_∞. Our methods involve minor extensions of the lace expansion methods used in a previous paper to relate critical oriented percolation to super-Brownian motion, for d+1 > 4+1. Received: 13 December 2001 / Accepted: 11 July 2002 Published online: 29 October 2002 RID="*" ID="*" Present address: Department of Mathematics and Computer Science, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands. E-mail: rhofstad@win.tue.nl     

Spectral characteristics of water clusters in the interaction with ozone molecules and bromide ions

The molecular dynamics method is used to study the interaction of the (Br⁻) _i (H₂O)_{50 − i} clusters in a medium of water vapor with ozone molecules. The clusters absorb O₃ molecules and retain them, along with Br⁻ ions, for a 25-ps-long calculation procedure. The presence of bromide ions results in significant increases in the values of the real and imaginary parts of the relative permittivity. The addition of bromide ions causes a significant increase in the integrated IR radiation absorption intensities and in the radiant power emitted by the clusters. The addition of Br⁻ ions only slightly affects the intensity of the Raman spectra until the number of Br⁻ reaches six, when a dramatic decrease of the integrated intensity of this spectrum occurs. Bromide ions absorbed by water clusters produce a much more lasting impact on the ozone molecules trapped by the cluster than chlorine ions do, all other things being equal.     

Degradation in polymer Ni-MH battery

The alkaline solid polymer electrolyte system with the conductivity of (8.5±0.2) × 10⁻⁴ Scm⁻¹ composes of polyvinyl alcohol (PVA) and potassium hydroxide (KOH) have been used in fabrication of Mg₂Ni/Ni(OH)₂ nickel metal hydride cell. The self-dehydriding of the cell during storage was presented by open circuit voltage study. Cell degradation after charge-discharge cycling is characterized by means of X-ray diffraction and scanning electron microscopic analyses. The failure of the cell can be ascribed by a small formation of Mg(OH)₂ oxide layer and surface resistance between electrode-electrolyte.     

Optical properties of new organic conductors based on the BEDT-TSeF molecule (the κ-(BETS)4Hg2.84Br8 superconductor and κ-(BETS)4Hg3Cl8 Metal) in the range 300–15 K

Polarized reflectance and optical conductivity spectra of single crystals of two new isostructural organic conductors based on the BEDT-TSeF molecule, namely, the κ-(BETS)₄Hg_2.84Br₈ superconductor (T _c =2 K) and the κ-(BETS)₄Hg₃Cl₈ metal, which undergoes a smooth transition to the dielectric state near 35 K, have been obtained in the spectral region 700–6500 cm⁻¹ at temperatures of 300–15 K. At 300 K, the spectra of both compounds are nearly identical and differ from the Drude spectrum characteristic of metals. The nature of the observed difference is discussed, and the spectra are described in terms of a cluster approach with inclusion of electron-electron correlations in the Hubbard approximation combined with the Drude model. The parameters of the theory were determined, including the electron transfer integrals between molecules in a cluster. The spectra in the conducting plane of the crystals were found to be essentially anisotropic, which should be assigned to specific features of in-plane interaction between molecules. The spectra of the superconductor and the metal become increasingly different as the temperature is lowered. The spectra of the metal obtained for T<150 K exhibit splitting of the broad electronic maximum in the mid-IR region into two bands, which is accompanied by a splitting of a vibronic feature deriving from electron interaction with intramolecular BETS vibrations of ν₃(A _g ) symmetry. No such splitting is observed in the superconductor spectra with decreasing temperature. __________ Translated from Fizika Tverdogo Tela, Vol. 46, No. 11, 2004, pp. 1921–1929. Original Russian Text Copyright ? 2004 by Vlasova, Drichko, Petrov, Semkin, Zhilyaeva, Lyubovskaya, Olejniczak, A. Kobayashi, H. Kobayashi.     

The Birth of the Infinite Cluster:¶Finite-Size Scaling in Percolation

We address the question of finite-size scaling in percolation by studying bond percolation in a finite box of side length n, both in two and in higher dimensions. In dimension d= 2, we obtain a complete characterization of finite-size scaling. In dimensions d>2, we establish the same results under a set of hypotheses related to so-called scaling and hyperscaling postulates which are widely believed to hold up to d= 6. As a function of the size of the box, we determine the scaling window in which the system behaves critically. We characterize criticality in terms of the scaling of the sizes of the largest clusters in the box: incipient infinite clusters which give rise to the infinite cluster. Within the scaling window, we show that the size of the largest cluster behaves like n ^d π _n , where π _n is the probability at criticality that the origin is connected to the boundary of a box of radius n. We also show that, inside the window, there are typically many clusters of scale n ^d π _n , and hence that “the” incipient infinite cluster is not unique. Below the window, we show that the size of the largest cluster scales like ξ ^d π_ξ log(n/ξ), where ξ is the correlation length, and again, there are many clusters of this scale. Above the window, we show that the size of the largest cluster scales like n ^d P _∞, where P _∞ is the infinite cluster density, and that there is only one cluster of this scale. Our results are finite-dimensional analogues of results on the dominant component of the Erdős–Rényi mean-field random graph model. Received: 6 December 2000 / Accepted: 25 May 2001