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We introduce the LUNA neutron detector array developed for the investigation of the 13C(a,n)16O reaction towards its astrophysical s-process Gamow peak in the low-background environment of the Laboratori Nazionali del Gran Sasso (LNGS). Eighteen 3He counters are arranged in two different configurations (in a vertical and a horizontal orientation) to optimize neutron detection effciency, target handling and target cooling over the investigated energy range Ea;lab = 300 - 400 keV (En = 2.2 - 2.6 MeV in emitted neutron energy). As a result of the deep underground location, the passive shielding of the setup and active background suppression using pulse shape discrimination, we reached a total background rate of 1.23 +- 0.12 counts/hour. This resulted in an improvement of two orders of magnitude over the state of the art allowing a direct measurement of the 13C(a,n)16O cross-section down to Ea;lab = 300 keV. The absolute neutron detection efficiency of the setup was determined using the 51V(p,n)51Cr reaction and an AmBe radioactive source, and completed with a Geant4 simulation. We determined a (34+-3) % and (38+-3) % detection efficiency for the vertical and horizontal configurations, respectively, for En = 2.4 MeV neutrons., Comment: 8 pages, 5 figures, to be published in NIMA

Motivated by the duality theory between Hermitian symmetric spaces of noncompact and compact types, we introduce and examine the concept of K\"ahler duality between domains of $\mathbb C^n$., Comment: 33 pages

The elusive presence of an anomalously increasing screening length at high ionic concentrations hampers a complete picture of interactions in electrolytes. Theories which extend the diluted Debye-Huckel framework to higher concentrations predict, in addition to the expected decreasing Debye length, an increasing significant scale of the order of at most a few ionic diameters. More recent surface force balance experiments with different materials succeeded in measuring increasing length scales which, however, turn out to extend over tenths or even hundreds of ionic diameters. While simulation work has managed to characterize the former, the latter still avoid detection, generating doubts about its true origin. Here we provide a step forward in the clarification of such a conundrum. We have studied by extensive Molecular Dynamics simulation the properties of a generic model of electrolyte, lithium tetrafluoroborate dissolved in ethylene-carbonate, in a vast range of salt concentrations continuously joining the Debye non-interacting limit to the opposite over-charged ionic liquid-like states. On one side, we have accurately determined the macroscopic concentration-induced structural, dielectric and transport modifications, on the other we have quantified the resulting nano-scale ions organization. Based only on the simulation data, without resorting to any uncontrolled hypothesis or phenomenological parameter, we identify a convincing candidate for the measured anomalously increasing length, whose origin has been possibly misinterpreted.

The Circle of Willis (CoW) is an important network of arteries connecting major circulations of the brain. Its vascular architecture is believed to affect the risk, severity, and clinical outcome of serious neuro-vascular diseases. However, characterizing the highly variable CoW anatomy is still a manual and time-consuming expert task. The CoW is usually imaged by two angiographic imaging modalities, magnetic resonance angiography (MRA) and computed tomography angiography (CTA), but there exist limited public datasets with annotations on CoW anatomy, especially for CTA. Therefore we organized the TopCoW Challenge in 2023 with the release of an annotated CoW dataset. The TopCoW dataset was the first public dataset with voxel-level annotations for thirteen possible CoW vessel components, enabled by virtual-reality (VR) technology. It was also the first large dataset with paired MRA and CTA from the same patients. TopCoW challenge formalized the CoW characterization problem as a multiclass anatomical segmentation task with an emphasis on topological metrics. We invited submissions worldwide for the CoW segmentation task, which attracted over 140 registered participants from four continents. The top performing teams managed to segment many CoW components to Dice scores around 90%, but with lower scores for communicating arteries and rare variants. There were also topological mistakes for predictions with high Dice scores. Additional topological analysis revealed further areas for improvement in detecting certain CoW components and matching CoW variant topology accurately. TopCoW represented a first attempt at benchmarking the CoW anatomical segmentation task for MRA and CTA, both morphologically and topologically., Comment: 24 pages, 11 figures, 9 tables. Summary Paper for the MICCAI TopCoW 2023 Challenge

The question of if silica nanoparticles can enhance the ionic conductivity of a polymer electrolyte above its crystallization temperature has remained unclear for the two decades following the first experiments on these systems. We use Molecular Dynamics simulations to decipher the atomic scale mechanisms affecting the properties of LiTFSI-poly(ethylene oxide) electrolytes upon the addition of silica nanoparticles. At any ionic concentration, adding nanoparticles significantly decreases the conductivity. Most of this reduction can be simply accounted for by the diffusion equation, resulting from the fact that the space occupied by the nanoparticles is made inactive and unable to sustain ionic diffusion. We identify two distinct regimes, above and below a concentration threshold, corresponding to very different ionic distributions and coordination features of the various species. The lack of conductivity enhancement observed in the simulations supports the conclusions of some recent measurements, and disagrees with the earliest experimental reports on hybrid silica/polyethylene-oxide electrolytes.

We discuss local Sasakian immersion of Sasaki-Ricci solitons (SRS) into fiber products of homogeneous Sasakian manifolds. In particular, we prove that SRS locally induced by a large class of fiber products of homogeneous Sasakian manifolds are, in fact, $\eta$-Einstein. The results are stronger for immersions into Sasakian space forms. Moreover, we show an example of a K\"ahler-Ricci soliton on $\mathbb C^n$ which admits no local holomorphic isometry into products of homogeneous bounded domains with flat K\"ahler manifolds and generalized flag manifolds.

Intracranial aneurysms are a commonly occurring and life-threatening condition, affecting approximately 3.2% of the general population. Consequently, detecting these aneurysms plays a crucial role in their management. Lesion detection involves the simultaneous localization and categorization of abnormalities within medical images. In this study, we employed the nnDetection framework, a self-configuring framework specifically designed for 3D medical object detection, to detect and localize the 3D coordinates of aneurysms effectively. To capture and extract diverse features associated with aneurysms, we utilized TOF-MRA and structural MRI, both obtained from the ADAM dataset. The performance of our proposed deep learning model was assessed through the utilization of free-response receiver operative characteristics for evaluation purposes. The model's weights and 3D prediction of the bounding box of TOF-MRA are publicly available at https://github.com/orouskhani/AneurysmDetection., Comment: 6 pages, 4 figures

We prove two rigidity results on holomorphic isometries into homogeneous K\"{a}hler manifolds. The first shows that a K\"{a}hler-Ricci soliton induced by the homogeneous metric of the K\"{a}hler product of a special flag manifold (i.e. a flag of classical type or integral type) with a bounded homogeneous domain is trivial, i.e. K\"{a}hler-Einstein. In the second one we prove that: (i) a flat space is not relative to the K\"{a}hler product of a special flag manifold with a homogeneous bounded domain, (ii) a special flag manifold is not relative to the K\"{a}hler product of a flat space with a homogeneous bounded domain and (iii) a homogeneous bounded domain is not relative to the K\"{a}hler product of a flat space with a special flag manifold. Our theorems strongly extend the results in [4], [5], [12], [13] and [22]., Comment: 14 pages

Next-generation high-efficiency Li-ion batteries require an electrolyte that is both safe and thermally stable. A possible choice for high performance all-solid-state Li-ion batteries is a liquid crystal, which possesses properties in-between crystalline solids and isotropic liquids. By employing molecular dynamics simulations together with various experimental techniques, we have designed and analyzed a novel liquid crystal electrolyte composed of rigid naphthalene-based moieties as mesogenic units, grafted to flexible alkyl chains of different lengths. We have synthesized novel highly ordered lamellar phase liquid crystal electrolytes at 99% purity and have evaluated the effect of alkyl chain length variation on ionic conduction. We find that the conductivity of the liquid crystal electrolytes is directly dependent on the extent of the nanochannels formed by molecule self-organization, which itself depends non-monotonously on the size of the alkyl chains. In addition, we show that the ion pair interaction between the anionic center of the liquid crystal molecules and the Li+ ions plays a crucial role in the overall conductivity. Based on our results, we suggest that further improvement of the ionic conductivity performance is possible, making this novel family of liquid crystal electrolytes a promising option for the design of entirely solid-state Li+ ion batteries.

The concept of vibrational density of states in glasses has been mirrored in liquids by the instantaneous-normal-mode spectrum. While in glasses instantaneous configurations correspond to minima of the potential-energy hypersurface and all eigenvalues of the associated Hessian matrix are therefore positive, in liquids this is no longer true, and modes corresponding to both positive and negative eigenvalues exist. The instantaneous-normal-mode spectrum has been numerically investigated in the past, and it has been demonstrated to bring important information on the liquid dynamics. A systematic deeper theoretical understanding is now needed. Heterogeneous-elasticity theory has proven to be successful in explaining many details of the low-frequency excitations in glasses, ranging from the thoroughly studied boson peak, down to the more elusive non-phononic excitations observed in numerical simulations at the lowest frequencies. Here we present an extension of heterogeneous-elasticity theory to the liquid state, and show that the outcome of the theory agrees well to the results of extensive molecular-dynamics simulations of a model liquid at different temperatures. We show that the spectral shape strongly depends on temperature, being symmetric at high temperatures and becoming rather asymmetric at low temperatures, close to the dynamical critical temperature. Most importantly, we demonstrate that the theory naturally reproduces a surprising phenomenon, a zero-energy spectral singularity with a cusp-like character developing in the vibrational spectra upon cooling. This feature, known from a few previous numerical studies, has been generally overlooked in the past due to a misleading representation of the data. We provide a thorough analysis of this issue, based on both very accurate predictions of our theory, and computational studies of model liquid systems with extended size.

In stars, the fusion of $^{22}$Ne and $^4$He may produce either $^{25}$Mg, with the emission of a neutron, or $^{26}$Mg and a $\gamma$ ray. At high temperature, the ($\alpha,n$) channel dominates, while at low temperature, it is energetically hampered. The rate of its competitor, the $^{22}$Ne($\alpha$,$\gamma$)$^{26}$Mg reaction, and, hence, the minimum temperature for the ($\alpha,n$) dominance, are controlled by many nuclear resonances. The strengths of these resonances have hitherto been studied only indirectly. The present work aims to directly measure the total strength of the resonance at $E$_{r}$\,=\,$334$\,$keV (corresponding to $E$_{x}$\,=\,$10949$\,$keV in $^{26}$Mg). The data reported here have been obtained using high intensity $^4$He$^+$ beam from the INFN LUNA 400 kV underground accelerator, a windowless, recirculating, 99.9% isotopically enriched $^{22}$Ne gas target, and a 4$\pi$ bismuth germanate summing $\gamma$-ray detector. The ultra-low background rate of less than 0.5 counts/day was determined using 67 days of no-beam data and 7 days of $^4$He$^+$ beam on an inert argon target. The new high-sensitivity setup allowed to determine the first direct upper limit of 4.0$\,\times\,$10$^{-11}$ eV (at 90% confidence level) for the resonance strength. Finally, the sensitivity of this setup paves the way to study further $^{22}$Ne($\alpha$,$\gamma$)$^{26}$Mg resonances at higher energy., Comment: Submitted to Eur. Phys. J. A

The local intermolecular structure and related dynamics in the liquid cis-trans N-methylformamide mixture at ambient temperature and density conditions have been systematically studied by employing Born-Oppenheimer molecular dynamics simulation techniques. Particular attention has been paid to the local structure around the cis- and trans- conformers and the formation and dynamics of hydrogen bonds with their closest neighbors. The calculated atom-atom radial distribution functions are in very good agreement with available experimental data and reveal the existence of different types of hydrogen bonding intermolecular interactions. The average number of hydrogen bonds formed by the cis-conformers is higher in comparison with the one corresponding to the trans-conformers. Moreover, the lifetimes of the hydrogen bonds formed in the liquid are longer when the cis-conformers participate in the bond formation, either as donors or acceptors. These findings clearly indicate that the local structural network around the cis-conformers in the liquid is more cohesive. The latter finding is also reflected in the slower reorientational dynamics of the cis-conformers and the low- and high-frequency region of the spectral densities of the atomic velocity time correlation functions. Finally, the calculated average dipole moments of the trans- and cis- conformers are significantly higher than their corresponding gas-phase values, signifying the importance of polarization effects in this particular polar liquid solvent.

We study the K\"ahler-Einstein manifolds which admits a holomorphic isometry into either the generalized Burns-Simanca manifold $(\tilde {\mathbb C}^n, g_S)$ or the Eguchi-Hanson manifold $(\tilde {\mathbb C}^2, g_{EH})$. Moreover, we prove that $(\tilde {\mathbb C}^n, g_S)$ and $(\tilde {\mathbb C}^2, g_{EH})$ are not relatives to any homogeneous bounded domain.

We prove two rigidity theorems on holomorphic isometries into homogeneous bounded domains. The first shows that a K\"ahler-Ricci soliton induced by the homogeneous metric of a homogeneous bounded domain is trivial, i.e. K\"ahler-Einstein. In the second one we prove that a homogeneous bounded domain and the flat (definite or indefinite) complex Euclidean space are not relatives, i.e. they do not share a common K\"ahler submanifold (of positive dimension). Our theorems extend the results proved in [A. Loi, R. Mossa, Proc. Amer. Math. Soc. 149 (2021), no. 11, 4931-4941] and [X. Cheng, Y. Hao, Ann. Global Anal. Geom. 60 (2021), no. 1, 167-180] respectively., Comment: 11 pages. arXiv admin note: text overlap with arXiv:2003.00841

Binding of ligands is often crucial for function yet the effects of ligand binding on the mechanical stability and energy landscape of proteins are incompletely understood. Here we use a combination of single-molecule optical tweezers and MD simulations to investigate the effect of ligand binding on the energy landscape of acyl-coenzyme A (CoA) binding protein (ACBP). ACBP is a topologically simple and highly conserved four-alpha-helix bundle protein that acts as an intracellular transporter and buffer for fatty-acyl CoA and is active in membrane assembly. We have previously described the behavior of ACBP under tension, revealing a highly extended transition state (TS) located almost halfway between the unfolded and native states. Here, we performed force-ramp and force-jump experiments, in combination with advanced statistical analysis, to show that octanoyl-CoA binding increases the activation free energy for the unfolding reaction of ACBP without affecting the position of the transition state along the reaction coordinate. It follows that ligand binding enhances the mechanical resistance and thermodynamic stability of the protein, without changing its mechanical compliance. Steered molecular dynamics simulations allowed us to rationalize the results in terms of key interactions that octanoyl-CoA establishes with the four alpha-helices of ACBP and showed that the unfolding pathway is marginally affected by the ligand. The results show that ligand-induced mechanical stabilization effects can be complex and may prove useful for the rational design of stabilizing ligands., Comment: 26 pages, 4 figures

The elastic properties of the double-stranded DNA handles used in optical tweezers experiments on biomolecules are customarily modeled by an extensible worm-like chain model. Fitting such model to experimental data however is no trivial task, as the function depends on four parameters in a highly non-linear fashion. We hereby propose a method to bypass the fitting procedure and obtain an empirical force vs. extension curve that accurately reproduce the elasticity of the handles., Comment: 5 pages, 6 figures

One of the main neutron sources for the astrophysical s-process is the reaction 13C({\alpha},n)16O, taking place in thermally pulsing Asymptotic Giant Branch stars at temperatures around 90 MK. To model the nucleosynthesis during this process the reaction cross section needs to be known in the 150-230keV energy window (Gamow peak). At these sub-Coulomb energies cross section direct measurements are severely affected by the low event rate, making us rely on input from indirect methods and extrapolations from higher-energy direct data. This leads to an uncertainty in the cross section at the relevant energies too high to reliably constrain the nuclear physics input to s-process calculations. We present the results from a new deep-underground measurement of 13C({\alpha},n)16O, covering the energy range 230-300keV, with drastically reduced uncertainties over previous measurements and for the first time providing data directly inside the s-process Gamow peak. Selected stellar models have been computed to estimate the impact of our revised reaction rate. For stars of nearly solar composition, we find sizeable variations of some isotopes, whose production is influenced by the activation of close-by branching points that are sensitive to the neutron density, in particular the two radioactive nuclei 60Fe and 205Pb, as well as 152Gd, Comment: 7 pages, 4 figures, accepted on PRL on 17th August 2021

We extend the Polydisk Theorem for symmetric bounded domains to Cartan-Hartogs domains, and apply it to prove that a Cartan-Hartogs domain inherits totally geodesic submanifolds from the bounded symmetric domain which is based on, and to give a characterization of Cartan-Hartogs's geodesics with linear support., Comment: 18 pages

Vessel tracing by modeling vascular structures in 3D medical images with centerlines and radii can provide useful information for vascular health. Existing algorithms have been developed but there are certain persistent problems such as incomplete or inaccurate vessel tracing, especially in complicated vascular beds like the intracranial arteries. We propose here a deep learning based open curve active contour model (DOST) to trace vessels in 3D images. Initial curves were proposed from a centerline segmentation neural network. Then data-driven machine knowledge was used to predict the stretching direction and vessel radius of the initial curve, while the active contour model (as human knowledge) maintained smoothness and intensity fitness of curves. Finally, considering the nonloop topology of most vasculatures, individually traced vessels were connected into a tree topology by applying a minimum spanning tree algorithm on a global connection graph. We evaluated DOST on a Time-of-Flight (TOF) MRA intracranial artery dataset and demonstrated its superior performance over existing segmentation-based and tracking-based vessel tracing methods. In addition, DOST showed strong adaptability on different imaging modalities (CTA, MR T1 SPACE) and vascular beds (coronary arteries)., Comment: MICCAI 2021

The quantum harmonic oscillator is the fundamental building block to compute thermal properties of virtually any dielectric crystal at low temperatures in terms of phonons, extended further to cases with anharmonic couplings, or even disordered solids. In general, Path Integral Monte Carlo (PIMC) or Molecular Dynamics (PIMD) methods are powerful tools to determine stochastically thermodynamic quantities without systematic bias, not relying on perturbative schemes. Addressing transport properties, for instance calculating thermal conductivity from PIMC, however, is substantially more difficult. Although correlation functions of current operators can be determined by PIMC from analytic continuation on the imaginary-time axis, Bayesian methods are usually employed for the numerical inversion back to real-time response functions. This task not only strongly relies on the accuracy of the PIMC data, but also introduces noticeable dependence on the model used for the inversion. Here, we address both difficulties with care. In particular, we first devise improved estimators for current correlations which substantially reduce the variance of the PIMC data. Next, we provide a neat statistical approach to the inversion problem, blending into a fresh workflow the classical stochastic maximum entropy method together with recent notions borrowed from statistical learning theory. We test our ideas on a single harmonic oscillator and a collection of oscillators with a continuous distribution of frequencies, and provide indications of the performance of our method in the case of a particle in a double well potential. This work establishes solid grounds for an unbiased, fully quantum mechanical calculation of transport properties in solids.

Inspired by the work of Z. Lu and G. Tian [8], A. Loi, F. Salis and F. Zuddas address in [5] the problem of studying those K\"ahler manifolds satisfying the $\Delta$-property, i.e. such that on a neighborhood of each of its points the $k$-th power of the K\"ahler Laplacian is a polynomial function of the complex Euclidean Laplacian, for all positive integer $k$. In particular, they conjectured that if a K\"ahler manifold satisfies the $\Delta$-property then it is a complex space form. This paper is dedicated to the proof of the validity of this conjecture., Comment: 8 pages. arXiv admin note: text overlap with arXiv:1912.08879

This paper studies the geometry of Cartan-Hartogs domains from the symplectic point of view. Inspired by duality between compact and noncompact Hermitian symmetric spaces, we construct a dual counterpart of Cartan-Hartogs domains and give explicit expression of global Darboux coordinates for both Cartan-Hartogs and their dual. Further, we compute their symplectic capacity and show that a Cartan-Hartogs admits a symplectic duality if and only if it reduces to be a complex hyperbolic space., Comment: 24 pages

We have applied recent machine learning advances, deep convolutional neural network, to three-dimensional (voxels) soft matter data, generated by Molecular Dynamics computer simulation. We have focused on the structural and phase properties of a coarse-grained model of hydrated ionic surfactants. We have trained a classifier able to automatically detect the water quantity absorbed in the system, therefore associating to each hydration level the corresponding most representative nano-structure. Based on the notion of transfer learning, we have next applied the same network to the related polymeric ionomer Nafion, and have extracted a measure of the similarity of these configurations with those above. We demonstrate that on this basis it is possible to express the static structure factor of the polymer at fixed hydration level as a superposition of those of the surfactants at multiple water contents. We suggest that such a procedure can provide a useful, agnostic, data-driven, precise description of the multi-scale structure of disordered materials, without resorting to any a-priori model picture.

It is a persistent problem in condensed matter physics that glasses exhibit vibrational and thermal properties that are markedly different from those of crystals. While recent works have advanced our understanding of vibrational excitations in glasses at the harmonic approximation limit, efforts in understanding finite-temperature anharmonic processes have been limited. It is well known that phonons in crystals couple through phonon-phonon interactions, an extremely efficient mechanism for anharmonic decay that is also important in glasses. Here, however, we show that an additional anharmonic channel of different origin emerges in the case of glasses, which induces intermittent rearrangements of particles. We have found that thermal vibrations in glasses trigger transitions among numerous different local minima of the energy landscape, which, however, are located within the same wide (meta)basin. These processes generate motions that are different from both diffusive and out-of-equilibrium aging dynamics. We suggest that the intermittent rearrangements accompanying thermal fluctuations are crucial features distinguishing glasses from crystals., Comment: 13 pages, 9 figures, 1 table

Among the reactions involved in the production and destruction of deuterium during Big Bang Nucleosynthesis, the deuterium-burning D(p,gamma)3He reaction has the largest uncertainty and limits the precision of theoretical estimates of primordial deuterium abundance. Here we report the results of a careful commissioning of the experimental setup used to measure the cross-section of the D(p,gamma)3He reaction at the Laboratory for Underground Nuclear Astrophysics of the Gran Sasso Laboratory (Italy). The commissioning was aimed at minimising all sources of systematic uncertainty in the measured cross sections. The overall systematic error achieved (< 3 %) will enable improved predictions of BBN deuterium abundance., Comment: 11 pages, 11 figures

Let $(g, X)$ be a K\"ahler-Ricci soliton on a complex manifold $M$. We prove that if the K\"ahler manifold $(M, g)$ can be K\"ahler immersed into a definite or indefinite complex space form of constant holomorphic sectional curvature $2c$, then $g$ is Einstein. Moreover, its Einstein constant is a rational multiple of $c$., Comment: 12 pages. To appear in Proc. Amer. Math. Soc

We study relations between certain totally geodesic foliations of a closed flat manifold and its collapsed Gromov-Hausdorff limits. Our main results explicitly identify such collapsed limits as flat orbifolds, and provide algebraic and geometric criteria to determine whether they are singular., Comment: LaTeX2e, 21 pages, final (revised) version. To appear in Math. Nachr

Direct measurements of reaction cross-sections at astrophysical energies often require the use of solid targets able to withstand high ion beam currents for extended periods of time. Thus, monitoring target thickness, isotopic composition, and target stoichiometry during data taking is critical to account for possible target modifications and to reduce uncertainties in the final cross-section results. A common technique used for these purposes is the Nuclear Resonant Reaction Analysis (NRRA), which however requires that a narrow resonance be available inside the dynamic range of the accelerator used. In cases when this is not possible, as for example the 13C(alpha,n)16O reaction recently studied at low energies at the Laboratory for Underground Nuclear Astrophysics (LUNA) in Italy, alternative approaches must be found. Here, we present a new application of the shape analysis of primary gamma rays emitted by the 13C(p,g)14N radiative capture reaction. This approach was used to monitor 13C target degradation {\em in situ} during the 13C(alpha,n)16O data taking campaign. The results obtained are in agreement with evaluations subsequently performed at Atomki (Hungary) using the NRRA method. A preliminary application for the extraction of the 13C(alpha,n)16O reaction cross-section at one beam energy is also reported., Comment: 10 pages, 6 figures, to be published in EPJ A

Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using density functional theory (DFT). Here we develop a deep neural network potential for aluminum that overcomes the limitations inherent to DFT, and we use it to obtain accurate anharmonic vacancy formation free energies as a function of temperature. While confirming the important role of anharmonicity at high temperatures, the calculation unveils a markedly nonlinear behavior of the vacancy formation entropy and shows that the vacancy formation free energy only violates Arrhenius law at temperatures above 600 K, in contrast with previous DFT calculations.

Some aspects of how sound waves travel through disordered solids are still unclear. Recent work has characterized a feature of disordered solids which seems to influence vibrational excitations at the mesoscales, local elastic heterogeneity. Sound waves propagation has been demonstrated to be strongly affected by inhomogeneous mechanical features of the materials which add to the standard anharmonic couplings, amounting to extremely complex transport properties at finite temperatures. Here, we address these issues for the case of a simple atomic glass former, by Molecular Dynamics computer simulation. In particular, we focus on the transverse components of the vibrational excitations in terms of dynamic structure factors, and characterize the temperature dependence of sound dispersion and attenuation in an extended frequency range. We provide a complete picture of how elastic heterogeneity determines transport of vibrational excitations, also based on a direct comparison of the numerical data with the predictions of the heterogeneous elastic theory., Comment: 14 pages, 5 figures, 1 table

Some facets of the way sound waves travel through glasses are still unclear. Recent works have shown that in the low-temperature harmonic limit a crucial role in controlling sound damping is played by local elastic heterogeneity. Sound waves propagation has been demonstrated to be strongly affected by inhomogeneous mechanical features of the materials, which add to the anharmonic couplings at finite temperatures. We describe the interplay between these two effects by molecular dynamics simulation of a model glass. In particular, we focus on the transverse components of the vibrational excitations in terms of dynamic structure factors, and characterize the temperature dependence of sound attenuation rates in an extended frequency range. We provide a complete picture of all phenomena, in terms encompassing both theory and experiments.

Let f:(Y,g)->(X,g_0) be a non zero degree continuous map between compact K\"ahler manifolds of dimension greater or equal to 2, where g_0 has constant negative holomorphic sectional curvature. Adapting the Besson-Courtois-Gallot barycentre map techniques to the K\"ahler setting, we prove a gap theorem in terms of the degree of f and the diastatic entropies of (Y, g) and (X,g_0), which extends the rigidity result proved by the author in [13]., Comment: 23 pages

Let $(M, g)$ be a Kaehler manifold whose associated Kaehler form $\omega$ is integral and let $(L, h)\rightarrow (M, \omega)$ be a quantization hermitian line bundle. In this paper we study those Kaehler manifolds $(M, g)$ admitting a finite TYCZ expansion. We show that if the TYCZ expansion is finite then $T_{mg}$ is indeed a polynomial in $m$ of degree $n$, $n=dim M$, and the log-term of the Szeg\"{o} kernel of the disc bundle $D\subset L^*$ vanishes (where $L^*$ is the dual bundle of $L$). Moreover, we provide a complete classification of the Kaehler manifolds admitting finite TYCZ expansion either when $M$ is a complex curve or when $M$ is a complex surface with a cscK metric which admits a radial Kaehler potential.

We have employed molecular dynamics simulations based on the TIP4P/2005 water model to investigate the local structural, dynamical, and dielectric properties of the two recently reported body-centered-cubic and face-centered-cubic plastic crystal phases of water. Our results reveal significant differences in the local orientational structure and rotational dynamics of water molecules for the two polymorphs. The probability distributions of trigonal and tetrahedral order parameters exhibit a multi-modal structure, implying the existence of significant local orientational heterogeneities, particularly in the face-centered-cubic phase. The calculated hydrogen bond statistics and dynamics provide further indications of the existence of a strongly heterogeneous and rapidly interconverting local orientational structural network in both polymorphs. We have observed a hindered molecular rotation, much more pronounced in the body-centered-cubic phase, which is reflected by the decay of the fourth-order Legendre reorientational correlation functions and angular Van Hove functions. Molecular rotation, however, is additionally hindered in the high-pressure liquid compared to the plastic crystal phase. The results obtained also reveal significant differences in the dielectric properties of the polymorphs due to the different dipolar orientational correlation characterizing each phase.

The $^{22}$Ne($p,\gamma$)$^{23}$Na reaction, part of the neon-sodium cycle of hydrogen burning, may explain the observed anticorrelation between sodium and oxygen abundances in globular cluster stars. Its rate is controlled by a number of low-energy resonances and a slowly varying non-resonant component. Three new resonances at $E_p$ = 156.2, 189.5, and 259.7 keV have recently been observed and confirmed. However, significant uncertainty on the reaction rate remains due to the non-resonant process and to two suggested resonances at $E_p$ = 71 and 105 keV. Here, new $^{22}$Ne($p,\gamma$)$^{23}$Na data with high statistics and low background are reported. Stringent upper limits of 6$\times$10$^{-11}$ and 7$\times$10$^{-11}$\,eV (90\% confidence level), respectively, are placed on the two suggested resonances. In addition, the off-resonant S-factor has been measured at unprecedented low energy, constraining the contributions from a subthreshold resonance and the direct capture process. As a result, at a temperature of 0.1 GK the error bar of the $^{22}$Ne($p,\gamma$)$^{23}$Na rate is now reduced by three orders of magnitude., Comment: Submitted to Phys. Rev. Lett

When deriving resonance strengths using the thick-target yield approximation, for very narrow resonances it may be necessary to take beam energy straggling into account. This applies to gas targets of a few keV width, especially if there is some additional structure in target stoichiometry or detection efficiency. The correction for this effect is shown and tested on recent studies of narrow resonances in the $^{22}$Ne(p,{\gamma})$^{23}$Na and $^{14}$N(p,{\gamma})$^{15}$O reactions., Comment: Submitted to Europhys. Lett

Quantum chemical calculations have been employed to investigate the solvation of lithium cations in ethylene carbonate/propylene carbonate and propylene carbonate/dimethyl carbonate mixed electrolytes. The impact of the presence of the counteranion on the solvation of Li+ in pure propylene carbonate and dimethyl carbonate was also studied. The calculations revealed small free-energy changes for the transitions between different preferred structures in mixed solvents. This implies that transitions between distinct local arrangements can take place in the mixtures. The addition of dimethyl carbonate causes a significant increase of the dipole moment of solvation clusters, indicating important molecular-scale modifications when dimethyl carbonate is used as a co-solvent. The presence of an anion in the solvation shell of Li+ modifies the intermolecular structure comprising four carbonate molecules in dilute solutions, allowing only two carbonate molecules to coordinate to Li+. The bidentate complexation of Li+ with the anion electron donor atoms, however, maintains the local tetrahedral structure on interatomic length scales. The neutralization of the solvation shell of Li+ due to contact ion pair formation and the consequent implications on the underlying mechanisms provide a rational explanation for the ionic conductivity drop of electrolyte solutions at high salt concentrations.

Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore critical. By using molecular dynamics simulation, we clarify theoretically and numerically the effect of confinement at the nanoscale on the static and dynamic properties of an ionic liquid. In particular, we focus on the interplay among the size of the ions, the slit pore width, and the length scale associated to the long-range organization of polar and apolar domains present in the bulk material. By modulating both the temperature and the extent of the confinement, we demonstrate the existence of a complex reentrant phase behavior, including isotropic liquid and liquid-crystal-like phases with different symmetries. We show how these changes impact the relative organization of the ions, with substantial modifications of the Coulombic ordering, and their dynamical state. In this respect, we reveal a remarkable decoupling of the dynamics of the counterions, pointing to very different roles played by these in charge transport under confinement. We finally discuss our findings in connection with very recent experimental and theoretical work.

The experimental study of nuclear reactions of astrophysical interest is greatly facilitated by a low-background, high-luminosity setup. The Laboratory for Underground Nuclear Astrophysics (LUNA) 400 kV accelerator offers ultra-low cosmic-ray induced background due to its location deep underground in the Gran Sasso National Laboratory (INFN-LNGS), Italy, and high intensity, 250-500 $\mu$A, proton and $\alpha$ ion beams. In order to fully exploit these features, a high-purity, recirculating gas target system for isotopically enriched gases is coupled to a high-efficiency, six-fold optically segmented bismuth germanate (BGO) $\gamma$-ray detector. The beam intensity is measured with a beam calorimeter with constant temperature gradient. Pressure and temperature measurements have been carried out at several positions along the beam path, and the resultant gas density profile has been determined. Calibrated $\gamma$-intensity standards and the well-known $E_p$ = 278 keV $\mathrm{^{14}N(p,\gamma)^{15}O}$ resonance were used to determine the $\gamma$-ray detection efficiency and to validate the simulation of the target and detector setup. As an example, the recently measured resonance at $E_p$ = 189.5 keV in the $^{22}$Ne(p,$\gamma$)$^{23}$Na reaction has been investigated with high statistics, and the $\gamma$-decay branching ratios of the resonance have been determined., Comment: 11 pages, 11 figures, accepted in Eur. Phys. Journal A

Automated segmentation of intracranial arteries on magnetic resonance angiography (MRA) allows for quantification of cerebrovascular features, which provides tools for understanding aging and pathophysiological adaptations of the cerebrovascular system. Using a convolutional autoencoder (CAE) for segmentation is promising as it takes advantage of the autoencoder structure in effective noise reduction and feature extraction by representing high dimensional information with low dimensional latent variables. In this report, an optimized CAE model (Y-net) was trained to learn a 3D segmentation model of intracranial arteries from 49 cases of MRA data. The trained model was shown to perform better than the three traditional segmentation methods in both binary classification and visual evaluation., Comment: 5 pages, 4 figures, an improved version after accepted by IEEE International Conference on Bioinformatics and Biomedicine, Kansas City, MO, USA, November 13 - 16, 2017

Stardust grains recovered from meteorites provide high-precision snapshots of the isotopic composition of the stellar environment in which they formed. Attributing their origin to specific types of stars, however, often proves difficult. Intermediate-mass stars of 4-8 solar masses are expected to contribute a large fraction of meteoritic stardust. However, no grains have been found with characteristic isotopic compositions expected from such stars. This is a long-standing puzzle, which points to serious gaps in our understanding of the lifecycle of stars and dust in our Galaxy. Here we show that the increased proton-capture rate of $^{17}$O reported by a recent underground experiment leads to $^{17}$O/$^{16}$O isotopic ratios that match those observed in a population of stardust grains, for proton-burning temperatures of 60-80 million K. These temperatures are indeed achieved at the base of the convective envelope during the late evolution of intermediate-mass stars of 4-8 solar masses, which reveals them as the most likely site of origin of the grains. This result provides the first direct evidence that these stars contributed to the dust inventory from which the Solar System formed.

We find necessary and sufficient conditions under which the complex coordinates on a flag manifold of a classical group described in [2] are Bochner coordinates., Comment: 24 pages

We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated perfluoro-sulfonic acid compounds employed as electrolytes in fuel cells. These materials form phase-separated morphologies that show outstanding proton-conducting properties, directly related to the state and dynamics of the absorbed water. We have quantified water motion and ion transport by combining Quasi Elastic Neutron Scattering, Pulsed Field Gradient Nuclear Magnetic Resonance, and Molecular Dynamics computer simulation. Effective water and ion diffusion coefficients have been determined together with their variation upon hydration at the relevant atomic, nanoscopic and macroscopic scales, providing a complete picture of transport. We demonstrate that confinement at the nanoscale and direct interaction with the charged interfaces produce anomalous sub-diffusion, due to a heterogeneous space-dependent dynamics within the ionic nanochannels. This is irrespective of the details of the chemistry of the hydrophobic confining matrix, confirming the statistical significance of our conclusions. Our findings turn out to indicate interesting connections and possibilities of cross-fertilization with other domains, including biophysics. They also establish fruitful correspondences with advanced topics in statistical mechanics, resulting in new possibilities for the analysis of Neutron scattering data.

We investigate the impact of the new LUNA rate for the nuclear reaction $^{22}$Ne$(p,\gamma)^{23}$Na on the chemical ejecta of intermediate-mass stars, with particular focus on the thermally-pulsing asymptotic giant branch (TP-AGB) stars that experience hot-bottom burning. To this aim we use the PARSEC and COLIBRI codes to compute the complete evolution, from the pre-main sequence up to the termination of the TP-AGB phase, of a set of stellar models with initial masses in the range $3.0\,M_{\odot} - 6.0\,M_{\odot}$, and metallicities $Z_{\rm i}=0.0005$, $Z_{\rm i}=0.006$, and $Z_{\rm i} = 0.014$. We find that the new LUNA measures have much reduced the nuclear uncertainties of the $^{22}$Ne and $^{23}$Na AGB ejecta, which drop from factors of $\simeq 10$ to only a factor of few for the lowest metallicity models. Relying on the most recent estimations for the destruction rate of $^{23}$Na, the uncertainties that still affect the $^{22}$Ne and $^{23}$Na AGB ejecta are mainly dominated by evolutionary aspects (efficiency of mass-loss, third dredge-up, convection). Finally, we discuss how the LUNA results impact on the hypothesis that invokes massive AGB stars as the main agents of the observed O-Na anti-correlation in Galactic globular clusters. We derive quantitative indications on the efficiencies of key physical processes (mass loss, third dredge-up, sodium destruction) in order to simultaneously reproduce both the Na-rich, O-poor extreme of the anti-correlation, and the observational constraints on the CNO abundance. Results for the corresponding chemical ejecta are made publicly available., Comment: 21 pages, 14 figures, accepted for publication in MNRAS

Context. Material processed by the CNO cycle in stellar interiors is enriched in 17O. When mixing processes from the stellar surface reach these layers, as occurs when stars become red giants and undergo the first dredge up, the abundance of 17O increases. Such an occurrence explains the drop of the 16O/17O observed in RGB stars with mass larger than 1.5 M_\solar. As a consequence, the interstellar medium is continuously polluted by the wind of evolved stars enriched in 17O . Aims. Recently, the Laboratory for Underground Nuclear Astrophysics (LUNA) collaboration released an improved rate of the 17O(p,alpha)14N reaction. In this paper we discuss the impact that the revised rate has on the 16O/17O ratio at the stellar surface and on 17O stellar yields. Methods. We computed stellar models of initial mass between 1 and 20 M_\solar and compared the results obtained by adopting the revised rate of the 17O(p,alpha)14N to those obtained using previous rates. Results. The post-first dredge up 16O/17O ratios are about 20% larger than previously obtained. Negligible variations are found in the case of the second and the third dredge up. In spite of the larger 17O(p,alpha)14N rate, we confirm previous claims that an extra-mixing process on the red giant branch, commonly invoked to explain the low carbon isotopic ratio observed in bright low-mass giant stars, marginally affects the 16O/17O ratio. Possible effects on AGB extra-mixing episodes are also discussed. As a whole, a substantial reduction of 17O stellar yields is found. In particular, the net yield of stars with mass ranging between 2 and 20 M_\solar is 15 to 40% smaller than previously estimated. Conclusions. The revision of the 17O(p,alpha)14N rate has a major impact on the interpretation of the 16O/17O observed in evolved giants, in stardust grains and on the 17O stellar yields., Comment: Accepted by A&A

Molecular dynamics simulation studies were performed to investigate the structural and dynamic properties of liquid carbon disulfide from ambient to elevated pressure conditions. The results obtained have revealed structural changes at high pressures, which are related to the more dense packing of the molecules inside the first solvation shell. The calculated neutron and X-Ray structure factors have been compared with available experimental diffraction data, also revealing the pressure effects on the short-range structure of the liquid. The pressure effects on the translational, reorientational and residence dynamics are very strong, revealing a significant slowing down when going from ambient pressure to 1.2 GPa. The translational dynamics of the linear CS2 molecules have been found to be more anisotropic at elevated pressures, where cage effects and librational motions are reflected on the shape of the calculated time correlation functions and their corresponding spectral densities.

The $^{22}$Ne(p,$\gamma$)$^{23}$Na reaction is the most uncertain process in the neon-sodium cycle of hydrogen burning. At temperatures relevant for nucleosynthesis in asymptotic giant branch stars and classical novae, its uncertainty is mainly due to a large number of predicted but hitherto unobserved resonances at low energy. Purpose: A new direct study of low energy $^{22}$Ne(p,$\gamma$)$^{23}$Na resonances has been performed at the Laboratory for Underground Nuclear Astrophysics (LUNA), in the Gran Sasso National Laboratory, Italy. Method: The proton capture on $^{22}$Ne was investigated in direct kinematics, delivering an intense proton beam to a $^{22}$Ne gas target. $\gamma$ rays were detected with two high-purity germanium detectors enclosed in a copper and lead shielding suppressing environmental radioactivity. Results: Three resonances at 156.2 keV ($\omega\gamma$ = (1.48\,$\pm$\,0.10)\,$\cdot$\,10$^{-7}$ eV), 189.5 keV ($\omega\gamma$ = (1.87\,$\pm$\,0.06)\,$\cdot$\,10$^{-6}$ eV) and 259.7 keV ($\omega\gamma$ = (6.89\,$\pm$\,0.16)\,$\cdot$\,10$^{-6}$ eV) proton beam energy, respectively, have been observed for the first time. For the levels at 8943.5, 8975.3, and 9042.4 keV excitation energy corresponding to the new resonances, the $\gamma$-decay branching ratios have been precisely measured. Three additional, tentative resonances at 71, 105 and 215 keV proton beam energy, respectively, were not observed here. For the strengths of these resonances, experimental upper limits have been derived that are significantly more stringent than the upper limits reported in the literature. Conclusions: Based on the present experimental data and also previous literature data, an updated thermonuclear reaction rate is provided in tabular and parametric form. The new reaction rate is significantly higher than previous evaluations at temperatures of 0.08-0.3 GK., Comment: Submitted to Phys. Rev. C

The $^{17}$O(p,$\alpha$)$^{14}$N reaction plays a key role in various astrophysical scenarios, from asymptotic giant branch stars to classical novae. It affects the synthesis of rare isotopes such as $^{17}$O and $^{18}$F, which can provide constraints on astrophysical models. A new direct determination of the $E_{\rm R}~=~64.5$~keV resonance strength performed at the Laboratory for Underground Nuclear Astrophysics accelerator has led to the most accurate value to date, $\omega\gamma = 10.0 \pm 1.4_{\rm stat} \pm 0.7_{\rm syst}$~neV, thanks to a significant background reduction underground and generally improved experimental conditions. The (bare) proton partial width of the corresponding state at $E_{\rm x} = 5672$~keV in $^{18}$F is $\Gamma_{\rm p} = 35 \pm 5_{\rm stat} \pm 3_{\rm syst}$~neV. This width is about a factor of 2 higher than previously estimated thus leading to a factor of 2 increase in the $^{17}$O(p,$\alpha$)$^{14}$N reaction rate at astrophysical temperatures relevant to shell hydrogen-burning in red giant and asymptotic giant branch stars. The new rate implies lower $^{17}$O/$^{16}$O ratios, with important implications on the interpretation of astrophysical observables from these stars.

Rechargeable lithium ion batteries are an attractive alternative power source for a wide variety of applications. To optimize their performances, a complete description of the solvation properties of the ion in the electrolyte is crucial. A comprehensive understanding at the nanoscale of the solvation structure of lithium ions in nonaqueous carbonate electrolytes is, however, still unclear. We have measured by femtosecond vibrational spectroscopy the orientational correlation time of the CO stretching mode of Li+-bound and Li+-unbound ethylene carbonate molecules, in LiBF4, LiPF6, and LiClO4 ethylene carbonate solutions with different concentrations. Surprisingly, we have found that the coordination number of ethylene carbonate in the first solvation shell of Li+ is only two, in all solutions with concentrations higher than 0.5 M. Density functional theory calculations indicate that the presence of anions in the first coordination shell modifies the generally accepted tetrahedral structure of the complex, allowing only two EC molecules to coordinate to Li+ directly. Our results demonstrate for the first time, to the best of our knowledge, the anion influence on the overall structure of the first solvation shell of the Li+ ion. The formation of such a cation/solvent/anion complex provides a rational explanation for the ionic conductivity drop of lithium/carbonate electrolyte solutions at high concentrations.

Polymer translocation is a promising strategy for the next-generation DNA sequencing technologies. The use of biological and synthetic nano-pores, however, still suffers from serious drawbacks. In particular, the width of the membrane layer can accommodate several bases at the same time, making difficult accurate sequencing applications. More recently, the use of graphene membranes has paved the way to new sequencing capabilities, with the possibility to measure transverse currents, among other advances. The reduced thickness of these new membranes poses new questions on the effect of deformability and vibrations of the membrane on the translocation process, two features which are not taken into account in the well-established theoretical frameworks. Here, we make a first step forward in this direction. We report numerical simulation work on a model system simple enough to allow gathering significant insight on the effect of these features on the average translocation time, with appropriate statistical significance. We have found that the interplay between thermal fluctuations and the deformability properties of the nano-pore play a crucial role in determining the process. We conclude by discussing new directions for further work.