Assessing the adequacy of the bare optical potential in near-barrier fusion calculation

We critically examine the differences among the different bare nuclear interactions used in near-barrier heavy ion fusion analysis and Coupled-Channels calculations, and discuss the possibility of extracting the barrier parameters of the bare potential from above-barrier data. We show that the choice of the bare potential may be critical for the analysis of the fusion cross sections. We show also that the barrier parameters taken from above barrier data may be very wrong.Comment: 8 pages, 3 tables, 8 figures. Submitted to Physical Review

Coexistence of pressure-induced structural phases in bulk black phosphorus: a combined x-ray diffraction and Raman study up to 18 GPa

We report a study of the structural phase transitions induced by pressure in bulk black phosphorus by using both synchrotron x-ray diffraction for pressures up to 12.2 GPa and Raman spectroscopy up to 18.2 GPa. Very recently black phosphorus attracted large attention because of the unique properties of fewlayers samples (phosphorene), but some basic questions are still open in the case of the bulk system. As concerning the presence of a Raman spectrum above 10 GPa, which should not be observed in an elemental simple cubic system, we propose a new explanation by attributing a key role to the non-hydrostatic conditions occurring in Raman experiments. Finally, a combined analysis of Raman and XRD data allowed us to obtain quantitative information on presence and extent of coexistences between different structural phases from ~5 up to ~15 GPa. This information can have an important role in theoretical studies on pressure-induced structural and electronic phase transitions in black phosphorus

S-Matrix Poles Close to Thresholds in Confined Geometries

We have studied the behavior of the S-matrix poles near threshold for quantum waveguides coupled to a cavity with a defect. We emphasize the occurrence of both dominant and shadow poles on the various sheets of the energy Riemann surface, and show that the changes of the total conductivity near threshold as the cavity's width changes can be explained in terms of dominant to shadow pole transitions.Comment: 10 pages, 5 figure

The effect of pressure on open-framework silicates: elastic behaviour and crystal-fluid interaction

The elastic behaviour and the structural evolution of microporous materials compressed hydrostatically in a pressure-transmitting fluid are drastically affected by the potential crystal-fluid interaction, with a penetration of new molecules through the zeolitic cavities in response to applied pressure. In this manuscript, the principal mechanisms that govern the P-behaviour of zeolites with and without crystal-fluid interaction are described, on the basis of previous experimental findings and computational modelling studies. When no crystal-fluid interaction occurs, the effects of pressure are mainly accommodated by tilting of (quasi-rigid) tetrahedra around O atoms that behave as hinges. Tilting of tetrahedra is the dominant mechanism at low-mid P-regime, whereas distortion and compression of tetrahedra represent the mechanisms which usually dominate the mid-high P regime. One of the most common deformation mechanisms in zeolitic framework is the increase of channels ellipticity. The deformation mechanisms are dictated by the topological configuration of the tetrahedral framework; however, the compressibility of the cavities is controlled by the nature and bonding configuration of the ionic and molecular content, resulting in different unit-cell volume compressibility in isotypic structures. The experimental results pertaining to compression in "penetrating" fluids, and thus with crystal-fluid interaction, showed that not all the zeolites experience a P-induced intrusion of new monoatomic species or molecules from the P-transmitting fluids. For example, zeolites with well-stuffed channels at room conditions (e.g. natural zeolites) tend to hinder the penetration of new species through the zeolitic cavities. Several variables govern the sorption phenomena at high pressure, among those: the "free diameters" of the framework cavities, the chemical nature and the configuration of the extra-framework population, the partial pressure of the penetrating molecule in the fluid (if mixed with other non-penetrating molecules), the rate of P-increase, the surface/volume ratio of the crystallites under investigations and the temperature at which the experiment is conducted. An overview of the intrusion phenomena of monoatomic species (e.g. He, Ar, Kr), small (e.g. H2O, CO2) and complex molecules, along with the P-induced polymerization phenomena (e.g. C2H2, C2H4, C2H6O, C2H6O2, BNH6, electrolytic MgCl2*21H2O solution) is provided, with a discussion of potential technological and geological implications of these experimental findings

Fermi and Gamow-Teller Strength in Charge Exchange with Radioactive Beams

At forward angles, and bombarding energies E > 200 MeV, the (p,n) and (n,p) reactions are thought to be directly proportional to the Gamow-Teller transition strengths in the nuclei. Assuming that this relationship also holds for charge exchange induced by high-energy heavy ions, it would be very useful in studies with radioactive beams. Contrary to this expectation, we show that the determination of Gamow-Teller and Fermi matrix elements from heavy-ion charge-exchange at forward angles is very inaccurate.Comment: 9 pages, RevTeX, 4 PostScript figures available upon reques

CANCRINITE-GROUP MINERALS AT NON-AMBIENT CONDITIONS: A MODEL OF THE ELASTIC BEHAVIOR AND STRUCTURE EVOLUTION

The minerals of the cancrinite group are zeolite-like compounds, sharing the [CAN]-topology of the framework. Their structure shows large 12-ring channels along [0001], bound by columns of cages, the so-called can units. Natural and synthetic compounds exhibit a remarkable chemical variability. Among the natural species, the majority shows an aluminosilicate framework. Two subgroups can be identified according to the extraframework content of the can units: the cancrinite- and the davyne-subgroups, showing Na-H2O and Ca-Cl chains, respectively. The channels are stuffed by cations, anions and molecules. In Nature, cancrinite-group minerals occur in the late/hydrothermal stages of alkaline (SiO2)-undersaturated magmatism and in related effusive or contact rocks. Cancrinite-group compounds have been proposed as stable storage form for alkaline wastes. The characterization of the phase-stability fields, thermo-elastic behavior and structure response to applied (P,T) is needed to evaluate and predict their behavior in natural and industrial processes. The present study aimed to model the thermo-elastic behavior and the mechanisms of (P,T)-induced structure evolution of cancrinite-group minerals, with a special interest on the role played by the extraframework population. The study was restricted to the following (CO3)-rich and (SO4)-rich end-members: cancrinite {[(Na,Ca)6(CO3)1.2-1.7][Na2(H2O)2][Al6Si6O24]}, vishnevite {[(Na,Ca,K)6(SO4)][Na2(H2O)2][Al6Si6O24]}, balliranoite {[(Na,Ca)6(CO3)1.2-1.7][Ca2Cl2][Al6Si6O24]} and davyne {[(Na,Ca,K)6((SO4),Cl)][Ca2Cl2][Al6Si6O24]}. Their high-P and low-T (T < 293 K) behavior was investigated by means of in situ single crystal X-ray diffraction, using diamond-anvil cells and (N2)-cryosystems, respectively. Though sharing a similar volume compressibility and thermal expansivity, these minerals have a different thermo-elastic anisotropy, more pronounced in the cancrinite-subgroup compounds. This behavior is governed by different deformation mechanisms, which reflect the different coordination environments of the cage population between the minerals of the two subgroups. The davyne sample studied at high-P showed a displacive phase transition from the P63/m to the P63 space group after the load of pressure [0.0001 64 P (GPa) 64 0.38(2)]. In vishnevite, a P-induced re-organization of the extraframework population took place at P > 3.5 GPa, coupled with a significant increase in compressibility, suggesting that the channel-constituents can also play an active role at non-ambient conditions. Besides common features likely ascribable to the [CAN]-topology, the nature of the extraframework population appears to control significantly the (P,T)-induced structure evolution and thermo-elastic behavior of the cancrinite-group compounds

High-pressure behavior of intermediate scapolite : compressibility, structure deformation and phase transition

Scapolites are common volatile-bearing minerals in metamorphic rocks. In this study, the high-pressure behavior of an intermediate member of the scapolite solid solution series (Me47), chemical formula (Na1.86Ca1.86K0.23Fe0.01)(Al4.36Si7.64)O24[Cl0.48(CO3)0.48(SO4)0.01], has been investigated up to 17.79 GPa, by means of in situ single-crystal synchrotron X-ray diffraction. The isothermal elastic behavior of the studied scapolite has been described by a III-order Birch\u2013Murnaghan equation of state, which provided the following refined parameters: V0 = 1110.6(7) \uc53, KV0 = 70(2) GPa (\u3b2V0 = 0.0143(4) GPa 121) and KV\u2032 = 4.8(7). The refined bulk modulus is intermediate between those previously reported for Me17 and Me68 scapolite samples, confirming that the bulk compressibility among the solid solution increases with the Na content. A discussion on the P-induced structure deformation mechanisms of tetragonal scapolite at the atomic scale is provided, along with the implications of the reported results for the modeling of scapolite stability. In addition, a single-crystal to single-crystal phase transition, which is displacive in character, has been observed toward a triclinic polymorph at 9.87&nbsp;GPa. The high-pressure triclinic polymorph was found to be stable up to the highest pressure investigated

High-pressure behavior of synthetic mordenite-Na: an in situ single-crystal synchrotron X-ray diffraction study

The high-pressure behavior of a synthetic mordenite- Na (space group: Cmcm or Cmc21) was studied by in situ single-crystal synchrotron X-ray diffraction with a diamond anvil cell up to 9.22(7) GPa. A phase transition, likely displacive in character, occurred between 1.68(7) and 2.70(8) GPa, from a C-centered to a primitive space group: possibly Pbnm, Pbnn or Pbn21. Fitting of the experimental data with III-BM equations of state allowed to describe the elastic behavior of the high-pressure polymorph with a primitive lattice. A very high volume compressibility [KV0 = 25(2) GPa, \u3b2V0 = 1/KV0 = 0.040(3) GPa\u20131; KV\u2032 = ( 02KV/ 02P)T = 2.0(3)], coupled with a remarkable elastic anisotropy (\u3b2b &gt; &gt; \u3b2c &gt; \u3b2a), was found. Interestingly, the low-P and high-P polymorphs show the same anisotropic compressional scheme. A structure collapse was not observed up to 9.22(7) GPa, even though a strong decrease of the number of observed reflections at the highest pressures suggests an impending amorphization. The structure refinements performed at room-P, 0.98(2) and 1.68(7) GPa allowed to describe, at a first approximation, the mechanisms that govern the framework deformation in the low-P regime: the bulk compression is strongly accommodated by the increase of the ellipticity of the large 12-membered ring channels running along [001]

Energy Dependence of Breakup Cross Sections of Halo Nucleus 8B and Effective Interactions

We study the energy dependence of the cross sections for nucleon removal of 8B projectiles. It is shown that the Glauber model calculations with nucleon-nucleon t-matrix reproduce well the energy dependence of the breakup cross sections of 8B. A DWBA model for the breakup cross section is also proposed and results are compared with those of the Glauber model. We show that to obtain an agreement between the DWBA calculations, the Glauber formalism, and the experimental data, it is necessary to modify the energy behavior of the effective interaction. In particular, the breakup potential has a quite different energy dependence than the strong absorption potential.Comment: 13 pages, 4 figure