Dihydrogen in zeolite CaX: an inelastic neutron scattering study

We report an inelastic neutron scattering (INS) study of the rotational–vibrational spectrum of dihydrogen sorbed by zeolite CaX. In the low energy (<200 cm−1) INS spectrum of adsorbed H2 we observe the rotational–vibrational spectrum of H2, where the vibration is that of the H2 molecule against the binding site (i.e. H2–X, not H–H). We have observed for the first time the vibrational overtones of the hydrogen molecule against the adsorption surface up to sixth order. These vibrations are usually forbidden in INS spectroscopy because of the selection rules imposed by the spin flip event required. In our case we are able to observe such a vibration because the rotational transition J(1 ← 0) convolutes the vibrational spectrum. This paper reports the effect for the first time.

A study by high energy transfer inelastic neutron scattering spectroscopy of the mineral fraction of ox femur bone

We have used high energy transfer (HET) inelastic neutron scattering spectroscopy to measure the vibrational modes in the spectra of hydroxyapatite, bone and brushite to confirm our earlier work that only a fraction of the hydroxyl groups in bone mineral are substituted. The HET spectra are better observed due to the higher scattering cross section of hydrogen compared with the other elements in the calcium phosphate compounds. (C) 2003 Elsevier Science B.V. All rights reserved.

Relationship between phonons and thermal expansion in Zn(CN)2 and Ni(CN)2 from inelastic neutron scattering and ab initio calculations

Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative (alpha(V) = −51  10(-6) K-1) while for Ni(CN)2, a tetragonal material, the thermal expansion coefficient is negative in the two dimensionally connected sheets (alpha(a) = −7  10(-6) K-1), but the overall thermal expansion coefficient is positive (alpha(V) = 48  10(-6) K-1). We have measured the temperature dependence of phonon spectra in these compounds and analyzed them using ab initio calculations. The spectra of the two compounds show large differences that cannot be explained by simple mass renormalization of the modes involving Zn (65.38 amu) and Ni (58.69 amu) atoms. This reflects the fact that the structure and bonding are quite different in the two compounds. The calculated pressure dependence of the phonon modes and of the thermal expansion coefficient, alpha(V), are used to understand the anomalous behavior in these compounds. Our ab initio calculations indicate that phonon modes of energy approx. 2 meV are major contributors to negative thermal expansion (NTE) in both the compounds. The low-energy modes of approx.8 and 13 meV in Zn(CN)2 also contribute significantly to the NTE in Zn(CN)2 and Ni(CN)2, respectively. The measured temperature dependence of the phonon spectra has been used to estimate the total anharmonicity of both compounds. For Zn(CN)2, the temperature-dependent measurements (total anharmonicity), along with our previously reported pressure dependence of the phonon spectra (quasiharmonic), is used to separate the explicit temperature effect at constant volume (intrinsic anharmonicity).

New insights into the compressibility and high-pressure stability of Ni(CN)2: a combined study of neutron diffraction, Raman spectroscopy, and inelastic neutron scattering

Nickel cyanide is a layered material showing markedly anisotropic behaviour. High-pressure neutron diffraction measurements show that at pressures up to 20.1 kbar, compressibility is much higher in the direction perpendicular to the layers, c, than in the plane of the strongly chemically bonded metal-cyanide sheets. Detailed examination of the behaviour of the tetragonal lattice parameters, a and c, as a function of pressure reveal regions in which large changes in slope occur, for example, in c(P) at 1 kbar. The experimental pressure dependence of the volume data is fitted to a bulk modulus, B0, of 1050 (20) kbar over the pressure range 0–1 kbar, and to 124 (2) kbar over the range 1–20.1 kbar. Raman spectroscopy measurements yield additional information on how the structure and bonding in the Ni(CN)2 layers change with pressure and show that a phase change occurs at about 1 kbar. The new high-pressure phase, (Phase PII), has ordered cyanide groups with sheets of D4h symmetry containing Ni(CN)4 and Ni(NC)4 groups. The Raman spectrum of phase PII closely resembles that of the related layered compound, Cu1/2Ni1/2(CN)2, which has previously been shown to contain ordered C≡N groups. The phase change, PI to PII, is also observed in inelastic neutron scattering studies which show significant changes occurring in the phonon spectra as the pressure is raised from 0.3 to 1.5 kbar. These changes reflect the large reduction in the interlayer spacing which occurs as Phase PI transforms to Phase PII and the consequent increase in difficulty for out-of-plane atomic motions. Unlike other cyanide materials e.g. Zn(CN)2 and Ag3Co(CN)6, which show an amorphization and/or a decomposition at much lower pressures (~100 kbar), Ni(CN)2 can be recovered after pressurising to 200 kbar, albeit in a more ordered form.

Microwave induced magnetoresistance oscillations and inelastic scattering time in double quantum wells

The interference of microwave-induced resistance oscillations and magneto-intersubband oscillations in double quantum wells exposed to a continuous microwave irradiation is under study. By comparing experimental and theoretical magnetoresistance traces at different temperatures, we confirm that the inelastic mechanism of photoresistance explains our observations up to T similar or equal to 4 K. For higher temperatures, our results suggest a deviation of the inelastic scattering time tau(in) from the predicted T(-2) dependence. (C) 2009 Elsevier B.V. All rights reserved.

Challenging measurement of the (16)O+(27)Al elastic and inelastic angular distributions up to large angles

The (16)O+(27)Al elastic and inelastic angular distributions have been measured in a broad angular range (13 degrees < theta(lab) < 52 degrees) at about 100 MeV incident energy. The use of the MAGNEX large acceptance magnetic spectrometer and of the ray-reconstruction analysis technique has been crucial in order to provide, in the same experiment, high-resolution energy spectra and cross-section measurements distributed over more than seven orders of magnitude down to hundreds of nb/sr. (C) 2011 Elsevier B.V. All rights reserved.

Color evaporation description of inelastic photoproduction of J/psi at DESY HERA

The H1 Collaboration recently reported a new analysis of data on the inelastic photoproduction of J/psi mesons at DESY's HERA ep collider. We show that these new experimental results are well described by the color evaporation model for quarkonium production. Moreover, these new data require the introduction of resolved photon contributions in order to accommodate the results in the kinematic region where the fractional energy carried by the J/psi is small, demonstrating that colored perturbative c (c) over bar states contribute to the production of a color singlet.

Differential and partial cross sections of elastic and inelastic positronium-helium-atom scattering

Scattering of positronium (Ps) by a helium atom has been investigated in a three-Ps-state coupled-channel model including Ps(1s,2s,2p) states using a recently proposed time-reversal-symmetric regularized electron-exchange model potential. Specifically, we report results of differential cross sections for elastic scattering and target-elastic Ps excitations. We also present results for total and different partial cross sections and compare them with experiment and other calculations.

Close-coupling calculations of elastic and inelastic positron-helium scattering

Elastic and inelastic positron-helium scattering have been investigated in different partial waves at medium energies using the close-coupling approximation with realistic wavefunctions employing the following states: He(1s1s), He(1s2s), He(1s2p), He(1s3s), He(1s3p), Ps(1s), Ps(2s) and Ps(2p). All excitations of the helium atom are in the spin-singlet electronic state. Calculations are reported of cross sections to He(1s1s), He(1s2s), and He(1s2p) transitions for incident positron energies up to 200 eV. These cross sections are in good agreement with experimental results.

Breaking down the Fermi acceleration with inelastic collisions

The phenomenon of Fermi acceleration is addressed for a dissipative bouncing ball model with external stochastic perturbation. It is shown that the introduction of energy dissipation (inelastic collisions of the particle with the moving wall) is a sufficient condition to break down the process of Fermi acceleration. The phase transition from bounded to unbounded energy growth in the limit of vanishing dissipation is characterized.

Suppressing Fermi acceleration in a two-dimensional non-integrable time-dependent oval-shaped billiard with inelastic collisions

Some dynamical properties of a classical particle confined inside a closed region with an oval-shaped boundary are studied. We have considered both the static and time-dependent boundaries. For the static case, the condition that destroys the invariant spanning curves in the phase space was obtained. For the time-dependent perturbation, two situations were considered: (i) non-dissipative and (ii) dissipative. For the non-dissipative case, our results show that Fermi acceleration is observed. When dissipation, via inelastic collisions, is introduced Fermi acceleration is suppressed. The behaviour of the average velocity for both the dissipative as well as the non-dissipative dynamics is described using the scaling approach. (C) 2009 Elsevier B.V. All rights reserved.

Inelastic photoproduction at HERA: A second charmonium crisis?

Measurements of the inelastic photoproduction of charmonium at HERA have ignited a new charmonium crisis. The Color Singlet approach to computing onium production cross sections fits the data for large charmonium energy fraction z, where color octet models fail. This approach is however in qualitative disagreement with a wealth of information that exist on charmonium production by other initial states. We here suggest that the source of the discrepancy between color octet models (whether implemented in the soft color or NRQCD formalism) and data is due to the neglect of non-perturbative effects. Implementing these in a scheme originally developed for Drell-Yan phenomenology, we illustrate how agreement with the data is achieved. © 1999 Elsevier Science B.V. All rights reserved.

Autosolitons in trapped Bose-Einstein condensates with two- and three-body inelastic processes

The conditions for the existence of autosolitons were considered in trapped Bose-Einstein condensates with attractive atomic interactions. The expression for the parameters of the autosoliton was derived using the time-dependent variational approach for the nonconservative 3-dimensional Gross-pitaevskii equation and their stability was checked. The results were in agreement with the exact numerical calculations. It was shown that the transition from unstable to stable point solely depends on the magnitude of the parameters.

Measurement of the inelastic proton-proton cross section at root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Encapsulation of paclitaxel into a bio-nanocomposite. a study combining inelastic neutron scattering to thermal analysis and infrared spectroscopy

The anticancer drug paclitaxel was encapsulated into a bio-nanocomposite formed by magnetic nanoparticles, chitosan and apatite. The aim of this drug carrier is to provide a new perspective against breast cancer. The dynamics of the pure and encapsulated drug were investigated in order to verify possible molecular changes caused by the encapsulation, as well as to follow which interactions may occur between paclitaxel and the composite. Fourier transformed infrared spectroscopy, thermal analysis, inelastic and quasi-elastic neutron scattering experiments were performed. These very preliminary results suggest the successful encapsulation of the drug.