A first principles based polarizable O(N) interatomic force field for bulk silica

We present a reformulation of the Tangney-Scandolo interatomic force field for silica J. Chem. Phys. 117, 8898 (2002), which removes the requirement to perform an Ewald summation. We use a Yukawa factor to screen electrostatic interactions and a cutoff distance to limit the interatomic potential range to around 10 Å. A reparametrization of the potential is carried out, fitting to data from density functional theory calculations. These calculations were performed within the local density approximation since we find that this choice of functional leads to a better match to the experimental structural and elastic properties of quartz and amorphous silica than the generalized gradient approximation approach used to parametrize the original Tangney-Scandolo force field. The resulting O(N) scheme makes it possible to model hundreds of thousands of atoms with modest computational resources, without compromising the force field accuracy. The new potential is validated by calculating structural, elastic, vibrational, and thermodynamic properties of $\alpha$-quartz and amorphous silica

Energetics of lipid bilayers with applications to deformations induced by inclusions

A new energy for the description of large deformations of lipid bilayers is formulated with mathematical rigor. This energy is derived by considering the smectic A liquid crystalline nature of lipid bilayers and the coupling between the deformations of the layers and their constituent lipid molecules. Analogies between smectic A liquid crystals, with an infinite number of layers, and lipid bilayers, with a finite number of layers, are further discussed. The novelty of the energy density is demonstrated by studying the large deformations of planar lipid bilayers induced by cylindrical inclusions. The results of this study are directly compared with the results obtained using May's theoretical framework [May, Eur. Biophys. J., 2000, 29, 17–28] in which small deformations are assumed. As expected, the proposed energy density predicts larger distortions of the lipid molecules and deformations of the lipid bilayers close to an inclusion

Spin structure of spin-1/2 baryon and spinless meson production amplitudes in photo and hadronic reactions

The most general spin structures of the spin-1/2 baryon and spinless meson production operator for both photon and nucleon induced reactions are derived from the partial-wave expansions of these reaction amplitudes. The present method provides the coefficients multiplying each spin operator in terms of the partial-wave matrix elements. The result should be useful in studies of these reactions based on partial-wave analyses, especially, when spin observables are considered.Comment: RevTex 34 pages, revised versio

SCINTILLA A European project for the development of scintillation detectors and new technologies for nuclear security

Europe monitors transits using radiation detectors to prevent illicit trafficking of nuclear materials. The SCINTILLA project aims to develop a toolbox of innovative technologies designed to address different usage cases. This article will review the scope, approach, results of the first benchmark campaign and future plans of the SCINTILLA project.Comment: To appear on the Proceedings of the 13th ICATPP Conference on Astroparticle, Particle, Space Physics and Detectors for Physics Applications, Villa Olmo (Como, Italy), 23--27 October, 2013, to be published by World Scientific (Singapore

P-wave pi pi amplitude from dispersion relations

We solve the dispersion relation for the P-wave pi pi amplitude.We discuss the role of the left hand cut vs Castillejo-Dalitz-Dyson (CDD), pole contribution and compare the solution with a generic quark model description. We review the the generic properties of analytical partial wave scattering and production amplitudes and discuses their applicability and fits of experimental data.Comment: 10 pages, 7 figures, typos corrected, reference adde

Photoproduction of the ω\omega meson on the proton at large momentum transfer

The differential cross section, $d\sigma/dt$ for $\omega$ meson exclusive photoproduction on the proton above the resonance region ($2.6<W<2.9$ GeV) was measured up to a momentum transfer $-t = 5$ GeV$^2$ using the CLAS detector at Jefferson Laboratory. The $\omega$ channel was identified by detecting a proton and $\pi^+$ in the final state and using the missing mass technique. While the low momentum transfer region shows the typical diffractive pattern expected from Pomeron and Reggeon exchange, at large $-t$ the differential cross section has a flat behavior. This feature can be explained by introducing quark interchange processes in addition to the QCD-inspired two-gluon exchange.Comment: 5 pages, 5 figure

Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces

We present a molecular dynamics scheme which combines first-principles and machine-learning (ML) techniques in a single information-efficient approach. Forces on atoms are either predicted by Bayesian inference or, if necessary, computed by on-the-fly quantum-mechanical (QM) calculations and added to a growing ML database, whose completeness is, thus, never required. As a result, the scheme is accurate and general, while progressively fewer QM calls are needed when a new chemical process is encountered for the second and subsequent times, as demonstrated by tests on crystalline and molten silicon

The proton structure function F2 in the resonance region

Unique measurement of the proton structure function F2 in a wide two-dimensional region of x and Q**2 has been reported. The accessible kinematics covers entire resonance region up to W=2.5 GeV in the Q**2 interval from 0.1 to 4.5 GeV**2. Obtained data allowed for the first time an evaluation of moments of the structure function F2 directly from experimental data as well as an intensive study of the Bloom-Gilman duality phenomenon.Comment: 6 pages, 4 figures, Proceedings of GDH2002 Conference, 3-6 July 2002, Genova, Italy, to be published in World Scientifi