arXiv subjects

G. Galli

Publications and source records attributed to G. Galli.

11 recordsLinked to original sources

arXiv2025

Asteroid sizes determined with thermophysical model and stellar occultations

Context. The sizes of many asteroids, especially slowly rotating, low-amplitude targets, remain poorly constrained due to selection effects. These biases limit the availability of high-quality data, leaving size estimates reliant on spherical shape assumptions. Such approximations introduce significant uncertainties propagating, e.g. into density determinations or thermophysical and compositional studies, affecting our understanding of asteroid properties. Aims. This work targets poorly studied main-belt asteroids, most of which lacked shape models. Using only high-quality dense light curves, thermal IR observations (incl. WISE), and stellar occultations, we aimed to produce reliable shape models and scale them via two independent techniques, allowing size comparison. We conducted two campaigns to obtain dense photometric light curves and to acquire multi-chord stellar occultations. Methods. Shape and spin models were reconstructed using lightcurve inversion. Sizes were determined by (1) thermophysical modeling with the Convex Inversion Thermophysical Model (CITPM), optimizing spin and shape models to visible lightcurve and IR data, and (2) scaling shape models with stellar occultations. Results. We obtained precise sizes and shape models for 15 asteroids. CITPM- and occultation-derived sizes agree within 5% in most cases, demonstrating the modeling's reliability. Larger discrepancies usually stem from incomplete occultation chord coverage. The study also gives insights into surface properties incl. albedo, roughness and thermal inertia. Conclusions. Using high-quality data and an advanced TPM integrating thermal and visible data with shape adjustment enabled precise size estimates comparable to those from multi-chord stellar occultations. We resolved major inconsistencies in previous size estimates, providing solid input for future studies on asteroid densities and surfaces.

astro-ph.EP↗

arXiv2022

Enhancing Spin Coherence in Optically Addressable Molecular Qubits through Host-Matrix Control

Optically addressable spins are a promising platform for quantum information science due to their combination of a long-lived qubit with a spin-optical interface for external qubit control and read out. The ability to chemically synthesize such systems - to generate optically addressable molecular spins - offers a modular qubit architecture which can be transported across different environments, and atomistically tailored for targeted applications through bottom-up design and synthesis. Here we demonstrate how the spin coherence in such optically addressable molecular qubits can be controlled through engineering their host environment. By inserting chromium (IV)-based molecular qubits into a non-isostructural host matrix, we generate noise-insensitive clock transitions, through a transverse zero-field splitting, that are not present when using an isostructural host. This host-matrix engineering leads to spin-coherence times of more than 10 microseconds for optically addressable molecular spin qubits in a nuclear and electron-spin rich environment. We model the dependence of spin coherence on transverse zero-field splitting from first principles and experimentally verify the theoretical predictions with four distinct molecular systems. Finally, we explore how to further enhance optical-spin interfaces in molecular qubits by investigating the key parameters of optical linewidth and spin-lattice relaxation time. Our results demonstrate the ability to test qubit structure-function relationships through a tunable molecular platform and highlight opportunities for using molecular qubits for nanoscale quantum sensing in noisy environments.

quant-ph↗

arXiv2015

Long term continuous radon monitoring in a seismically active area

We present the results of a long term, continuous radon monitoring experiment started in April 2010 in a seismically active area, affected during the 2010-2013 data acquisition time window by an intense micro seismic activity and by several small seismic events. We employed both correlation and cross-correlation analyses in order to investigate possible relationship existing between the collected radon data, seismic events and meteorological parameters. Our results do not support the feasibility of a robust one-to-one association between the small magnitude earthquakes characterizing the local seismic activity and single radon measurement anomalies, but evidence significant correlation patterns between the spatio-temporal variations of seismic moment release and soil radon emanations, the latter being anyway dominantly modulated by meteorological parameters variations.

physics.geo-ph↗

arXiv2008

Surface Induced Crystallization in Supercooled Tetrahedral Liquids

Freezing is a fundamental physical phenomenon that has been studied over many decades; yet the role played by surfaces in determining nucleation has remained elusive. Here we report direct computational evidence of surface induced nucleation in supercooled systems with a negative slope of their melting line (dP/dT < 0). This unexpected result is related to the density decrease occurring upon crystallization, and to surface tension facilitating the initial nucleus formation. Our findings support the hypothesis of surface induced crystallization of ice in the atmosphere, and provide insight, at the atomistic level, into nucleation mechanisms of widely used semiconductors.

cond-mat.stat-mech↗

arXiv2008

Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study

We present density-functional theory (DFT) and quantum Monte Carlo (QMC) calculations designed to resolve experimental and theoretical controversies over the optical properties of H-terminated C nanoparticles (diamondoids). The QMC results follow the trends of well-converged plane-wave DFT calculations for the size dependence of the optical gap, but they predict gaps that are 1-2 eV higher. They confirm that quantum confinement effects disappear in diamondoids larger than 1 nm, which have gaps below that of bulk diamond. Our QMC calculations predict a small exciton binding energy and a negative electron affinity (NEA) for diamondoids up to 1 nm, resulting from the delocalized nature of the lowest unoccupied molecular orbital. The NEA suggests a range of possible applications of diamondoids as low-voltage electron emitters.

cond-mat.mtrl-sci↗

arXiv2004

Towards an assessment of the accuracy of density functional theory for first principles simulations of water II

A series of 20 ps ab initio molecular dynamic simulations of water at ambient density and temperatures ranging from 300 to 450K are presented. Both Car-Parrinello (CP) and Born-Oppenheimer (BO) molecular dynamics techniques are compared for systems containing 54 and 64 water molecules. At 300K, excellent agreement is found between radial distribution functions (RDFs) obtained with BO and CP dynamics, provided an appropriately small value of the fictitious mass parameter is used in the CP simulation. However, we find that the diffusion coefficients computed from CP dynamics are approximately two times larger than the corresponding BO simulations for T>400K, where statistically meaningful comparisons can be made. Overall, both BO and CP dynamics at 300 K yield overstructured RDFs and slow diffusion as compared to experiment. In order to understand these discrepancies, the effect of proton quantum motion is considered with the use of empirical interaction potentials. We find strong evidence that proton quantum effects may have a larger impact than previously thought on structure and diffusion of the liquid.

cond-mat.soft↗

arXiv2004

A first principles simulation of rigid water

We present the results of Car-Parrinello (CP) simulations of water at ambient conditions and under pressure, using a rigid molecule approximation. Throughout our calculations, water molecules were maintained at a fixed intramolecular geometry corresponding to the average structure obtained in fully unconstrained simulations. This allows us to use larger time steps than those adopted in ordinary CP simulations of water, and thus to access longer time scales. In the absence of chemical reactions or dissociation effects, these calculations open the way to ab initio simulations of aqueous solutions that require timescales substantially longer than presently feasible (e.g. simulations of hydrophobic solvation). Our results show that structural properties and diffusion coefficients obtained with a rigid model are in better agreement with experiment than those determined with fully flexible simulations. Possible reasons responsible for this improved agreement are discussed.

cond-mat↗

arXiv2003

High-pressure molecular phases of solid carbon dioxide

We present a theoretical study of solid carbon dioxide up to 50GPa and 1500K using first-principles calculations. In this pressure-temperature range, interpretations of recent experiments have suggested the existence of CO2 phases which are intermediate between molecular and covalent-bonded solids. We reexamine the concept of intermediate phases in the CO2 phase diagram and propose instead molecular structures, which provide an excellent agreement with measurements.

cond-mat.mtrl-sci↗

arXiv1999

Theoretical study of the (3x2) reconstruction of beta-SiC(001)

By means of ab initio molecular dynamics and band structure calculations, as well as using calculated STM images, we have singled out one structural model for the (3x2) reconstruction of the Si-terminated (001) surface of cubic SiC, amongst several proposed in the literature. This is an alternate dimer-row model, with an excess Si coverage of 1/3, yielding STM images in good accord with recent measurements [F.Semond et al. Phys. Rev. Lett. 77, 2013 (1996)].

cond-mat.mtrl-sci↗

arXiv1996

Carbon superatom thin films

Assembling clusters on surfaces has emerged as a novel way to grow thin films with targeted properties. In particular, it has been proposed from experimental findings that fullerenes deposited on surfaces could give rise to thin films retaining the bonding properties of the incident clusters. However the microscopic structure of such films is still unclear. By performing quantum molecular dynamics simulations, we show that C_28 fullerenes can be deposited on a surface to form a thin film of nearly defect free molecules, which act as carbon superatoms. Our findings help clarify the structure of disordered small fullerene films and also support the recently proposed hyperdiamond model for solid C_28.

cond-mat.mtrl-sci↗

arXiv1996

Reconstruction and thermal stability of the cubic SiC(001) surfaces

The (001) surfaces of cubic SiC were investigated with ab-initio molecular dynamics simulations. We show that C-terminated surfaces can have different c(2x2) and p(2x1) reconstructions, depending on preparation conditions and thermal treatment, and we suggest experimental probes to identify the various reconstructed geometries. Furthermore we show that Si-terminated surfaces exhibit a p(2x1) reconstruction at T=0, whereas above room temperature they oscillate between a dimer row and an ideal geometry below 500 K, and sample several patterns including a c(4x2) above 500 K.

mtrl-th↗