arXiv subjects

F. Toschi

Publications and source records attributed to F. Toschi.

At least 19 recordsLinked to original sources

arXiv2026

ImpCresst -- A versatile simulation tool focusing on solid-state detectors at keV energies

We present ImpCresst, a Geant4-based Monte Carlo tool to simulate backgrounds from natural and cosmogenic radionuclides, and calibration signals in solid-state detectors and their response to it. It is tuned for a fast-evolving and heterogeneous detector environment with a focus on physics at the keV range. This tool was originally developed and validated by the CRESST collaboration; however, its flexibility and configurability make it suitable for other experiments with similar requirements. Key features of ImpCresst include the dynamic geometry implementation directly from CAD files, ROOT-based data persistency of the whole event topology and automatic metadata annotation for data provenance, and interfaces to various particle generators, particularly for radiogenic and cosmogenic radionuclides. It includes also a newly developed particle generator for radioactive bulk and surface contaminations which is completely independent of any user defined confinement volumes. The auxiliary tool CresstDS applies detector-specific energy and time resolution based on a user-provided data set of empirical parameterization. We discuss also how to manage an ImpCresst based workflow in an HPC environment based on Apptainer and nextflow.

physics.ins-det↗

arXiv2025

Effect of FABr Over-Stoichiometry on the Morphology and Optoelectronic Properties of Wide-Bandgap FAPbBr_3 Films

In this study, we investigate the impact of formamidinium bromide (FABr) over-stoichiometry in the precursor solution on the optoelectronic properties and morphology of the resulting films of formamidinium lead bromide (FAPbBr_3). Optical characterization, including steady-state absorption, photoluminescence (PL), and femtosecond transient absorption spectroscopy, reveals a systematic blueshift in emission energy with increasing FABr content, attributed to the passivation of bromine vacancies and to the reduction of defect-assisted recombination. Power-dependent PL confirms this interpretation: the stoichiometric film exhibits a PL band due to donor-acceptor pair (DAP) recombination as identified by the typical excitation-dependent blueshift, whereas FABr-enriched samples show no evidence of DAP emission, indicating effective defect passivation. Additionally, morphological characterization shows a reduction in grain size with increasing FABr excess, indicating a trade-off between improved electronic quality and enhanced structural disorder. The film synthesized with a 5% excess of FABr provides the optimal balance, yielding the highest power conversion efficiency (6.26%), average visible transmittance (61.6%), and light utilization efficiency (3.85%). These results demonstrate that fine-tuning the precursor stoichiometry through controlled FABr addition represents a simple yet effective strategy to enhance the optoelectronic quality and performance of semitransparent perovskite solar cells.

cond-mat.mtrl-sci↗

arXiv2025

Electron-Hole Separation Dynamics and Optoelectronic Properties of a PCE10:FOIC Blend

Understanding charge separation dynamics in organic semiconductor blends is crucial for optimizing the performance of organic photovoltaic solar cells. In this study, we explored the optoelectronic properties and charge separation dynamics of a PCE10:FOIC blend, by combining steady-state and time-resolved spectroscopies with high-level DFT calculations. Femtosecond transient absorption spectroscopy revealed a significant reduction of the exciton-exciton annihilation recombination rate in the acceptor when incorporated into the blend, compared to its pristine form. This reduction was attributed to a decrease in exciton density within the acceptor, driven by an efficient hole-separation process that was characterized by following the temporal evolution of the transient signals associated with the excited states of the donor when the acceptor was selectively excited within the blend. The analysis of these dynamics enabled the estimation of the hole separation time constant from the acceptor to the donor, yielding a time constant of (1.3 +- 0.3) ps. Additionally, this study allowed the quantification of exciton diffusion and revealed a charge separation efficiency of approximately 60%, providing valuable insights for the design of next-generation organic photovoltaic materials with enhanced charge separation and improved device efficiency.

cond-mat.mtrl-sci↗

arXiv2025

Hole Transfer Dynamics in Thin Films of Mixed-Dimensional Quasi-2D Perovskites

The understanding of charge transfer processes in mixed-dimensional quasi-2D perovskites is crucial for their application in high-performance photovoltaic devices. In this work, we investigate the link between charge transport dynamics and morphology in a thin film of quasi-2D perovskites (PEA2MAn-1PbnI3n+1), grown with a distinct dimensionality gradient, where the n=1 phase is concentrated near the substrate and phases with higher dimensionality progressively increase in concentration toward the surface. By selectively exciting the n=4 phase, we observe efficient hole transfer to the n=2 and n=3 phases occurring within few tens of picoseconds after excitation. In contrast, the n=1 phase acts as a hole-blocking layer, limiting the overall charge transport efficiency. These results emphasize the critical importance of minimizing or eliminating the n=1 layer to enhance charge carrier separation and transport, offering valuable insights into the optimization of quasi-2D perovskite-based solar cells.

cond-mat.mes-hall↗

arXiv2022

Coexistence of active and hydrodynamic turbulence in two dimensional active nematics

In active nematic liquid crystals activity is able to drive chaotic spatiotemporal flows referred to as active turbulence. Active turbulence has been characterized through theoretical and experimental work as a low Reynolds number phenomenon. We show that, in two-dimensions, the active forcing alone is able to trigger hydrodynamic turbulence leading to the coexistence of active and inertial turbulence. This type of flows develops for sufficiently active and extensile flow-aligning nematics. We observe that the combined effect of an extensile nematic and large values of the flow-aligning parameter leads to a broadening of the elastic energy spectrum that promotes a growth of kinetic energy able to trigger an inverse energy cascade.

cond-mat.soft↗

arXiv2022

Modelling drag coefficients of ellipsoidal particles in rarefied flow conditions

The importance of accurately capturing two-way coupled interactions between particles with complex shapes and rarefied gas flows is rapidly rising in different practical applications such as aerospace industry and semiconductor manufacturing. The transport of particles in these conditions is often modelled via an Euler-Lagrangian Point-Particles approach, where rarefaction effects are included through the phenomenological Cunningham corrections on the drag force experienced by the particles. In Point-Particles approaches, any explicit relation to the finite size of the particles, shape, orientation and momentum accommodation coefficient is typically neglected. In this work we aim to cover this gap by deriving, from fully-resolved DSMC simulations, heuristic models for the drag force acting on ellipsoidal particles with different aspect ratios. We include in the models the capability to predict effects related to gas-surface interactions via the tangential momentum accommodation coefficient (TMAC). The derived models can be used as corrections (to include shape, orientation and TMAC effects) in standard Euler-Lagrangian Point Particles simulations in rarefied gas flows. Additionally, we show that the obtained drag corrections, formally valid for unbounded gas flows, can potentially be applied also in cases where the particle moves in proximity to a solid wall. We do so by investigating near-wall effects on the drag of a prolate ellipsoidal particle. Due to confinement effects, the drag increases when compared to the unbounded case, but such effects are typically negligible for large $Kn$ also in cases in which the particle is in contact with the solid wall.

physics.flu-dyn↗

arXiv2021

Active nematic flows confined in a two dimensional channel with hybrid alignment at the walls: a unified picture

Active nematic fluids confined in narrow channels generate spontaneous flows when the activity is sufficiently intense. Recently, it was shown that if the molecular anchoring at the channel walls is conflicting flows are initiated even in the zero activity limit. An analytical laminar velocity profile for this specific configuration was derived within a simplified nematohydrodynamic model in which the nematic order parameter is a fixed-magnitude unit vector n. In this study we explore systematically active flows in this confined geometry with a more general theoretical model that uses a second-rank tensor order parameter Q to express both the magnitude and orientation of the nematic phase. The Q-model allows for the presence of defects and biaxial, in addition to uniaxial, molecular arrangements. Our aim is to provide a unified picture, beyond the limiting regime explored previously, to serve as a guide for potential microfluidic applications. We reveal how the nematic-flow coupling is not only dependent on geometrical constraints but also highly sensitive to material and flow parameters. We specifically stress the key role played by the activity and the flow aligning parameter and we show that solutions depend on two dimensionless parameters. We find that for large values of the activity parameter the flow is suppressed for contractile particles while is either sustained or suppressed for extensile particles depending on whether they tend to align or tumble when subject to shear. We explain these distinct behaviors by an argument based on the results of the stability analysis applied to simpler configurations. We finally provide a numerical example of a biaxial three-dimensional thresholdless active flow for which we show that biaxiality is specially relevant for a weakly first-order isotropic-nematic phase transition.

cond-mat.soft↗

arXiv2017

Lattice Boltzmann simulations of droplet dynamics in time-dependent flows

We study the deformation and dynamics of droplets in time-dependent flows using 3D numerical simulations of two immiscible fluids based on the lattice Boltzmann model (LBM). Analytical models are available in the literature, which assume the droplet shape to be an ellipsoid at all times (P.L. Maffettone, M. Minale, J. Non-Newton. Fluid Mech 78, 227 (1998); M. Minale, Rheol. Acta 47, 667 (2008)). Beyond the practical importance of using a mesoscale simulation to assess ab-initio the robustness and limitations of such theoretical models, our simulations are also key to discuss - in controlled situations - some relevant phenomenology related to the interplay between the flow time scales and the droplet time scales regarding the transparency transition for high enough shear frequencies for an external oscillating flow. This work may be regarded as a step forward to discuss extensions towards a novel DNS approach, describing the mesoscale physics of small droplets subjected to a generic hydrodynamical strain field, possibly mimicking the effect of a realistic turbulent flow on dilute droplet suspensions.

physics.flu-dyn↗

arXiv2017

Copepods encounter rates from a model of escape jump behaviour in turbulence

A key ecological parameter for planktonic copepods studies is their interspecies encounter rate which is driven by their behaviour and is strongly influenced by turbulence of the surrounding environment. A distinctive feature of copepods motility is their ability to perform quick displacements, often dubbed jumps, by means of powerful swimming strokes. Such a reaction has been associated to an escape behaviour from flow disturbances due to predators or other external dangers. In the present study, the encounter rate of copepods in a developed turbulent flow with intensity comparable to the one found in copepods' habitat is numerically investigated. This is done by means of a Lagrangian copepod (LC) model that mimics the jump escape reaction behaviour from localised high-shear rate fluctuations in the turbulent flows. Our analysis shows that the encounter rate for copepods of typical perception radius of ~ {\eta}, where {\eta} is the dissipative scale of turbulence, can be increased by a factor up to ~ 100 compared to the one experienced by passively transported fluid tracers. Furthermore, we address the effect of introducing in the LC model a minimal waiting time between consecutive jumps. It is shown that any encounter-rate enhancement is lost if such time goes beyond the dissipative time-scale of turbulence, {\tau}_{\eta}. Because typically in the ocean {\eta} ~ 0.001m and {\tau}_{\eta} ~ 1s, this provides stringent constraints on the turbulent-driven enhancement of encounter-rate due to a purely mechanical induced escape reaction.

q-bio.PE↗

arXiv2015

DSMC-LBM mapping scheme for rarefied and non-rarefied gas flows

We present the formulation of a kinetic mapping scheme between the Direct Simulation Monte Carlo (DSMC) and the Lattice Boltzmann Method (LBM) which is at the basis of the hybrid model used to couple the two methods in view of efficiently and accurately simulate isothermal flows characterized by variable rarefaction effects. Owing to the kinetic nature of the LBM, the procedure we propose ensures to accurately couple DSMC and LBM at a larger Kn number than usually done in traditional hybrid DSMC-Navier-Stokes equation models. We show the main steps of the mapping algorithm and illustrate details of the implementation. Good agreement is found between the moments of the single particle distribution function as obtained from the mapping scheme and from independent LBM or DSMC simulations at the grid nodes where the coupling is imposed. We also show results on the application of the hybrid scheme based on a simpler mapping scheme for plane Poiseuille flow at finite Kn number. Potential gains in the computational efficiency assured by the application of the coupling scheme are estimated for the same flow.

physics.flu-dyn↗

arXiv2015

Cooperativity flows and Shear-Bandings: a statistical field theory approach

Cooperativity effects have been proposed to explain the non-local rheology in the dynamics of soft jammed systems. Based on the analysis of the free-energy model proposed by L. Bocquet, A. Colin \& A. Ajdari ({\em Phys. Rev. Lett.} {\bf 103}, 036001 (2009)), we show that cooperativity effects resulting from the non-local nature of the fluidity (inverse viscosity), are intimately related to the emergence of shear-banding configurations. This connection materializes through the onset of inhomogeneous compact solutions (compactons), wherein the fluidity is confined to finite-support subregions of the flow and strictly zero elsewhere. Compactons coexistence with regions of zero fluidity ("non-flowing vacuum") is shown to be stabilized by the presence of mechanical noise, which ultimately shapes up the equilibrium distribution of the fluidity field, the latter acting as an order parameter for the flow-noflow transitions occurring in the material.

cond-mat.soft↗

arXiv2015

Intermittency in the relative separations of tracers and of heavy particles in turbulent flows

Results from Direct Numerical Simulations of particle relative dispersion in three dimensional homogeneous and isotropic turbulence at Reynolds number $Re_λ\sim 300$ are presented. We study point-like passive tracers and heavy particles, at Stokes number St = 0, 0.6, 1 and 5. Particles are emitted from localised sources, in bunches of thousands, periodically in time, allowing to reach an unprecedented statistical accuracy, with a total number of events for two-point observables of the order of $10^{11}$. The right tail of the probability density function for tracers develops a clear deviation from Richardson's self-similar prediction, pointing to the intermittent nature of the dispersion process. In our numerical experiment, such deviations are manifest once the probability to measure an event becomes of the order of -or rarer than- one part over one million, hence the crucial importance of a large dataset. The role of finite-Reynolds effects and the related fluctuations when pair separations cross the boundary between viscous and inertial range scales are discussed. An asymptotic prediction based on the multifractal theory for inertial range intermittency and valid for large Reynolds numbers is found to agree with the data better than the Richardson theory. The agreement is improved when considering heavy particles, whose inertia filters out viscous scale fluctuations. By using the exit-time statistics we also show that events associated to pairs experiencing unusually slow inertial range separations have a non self-similar probability distribution function.

physics.flu-dyn↗

arXiv2014

Internal dynamics and activated processes in Soft-Glassy materials

Plastic rearrangements play a crucial role in the characterization of soft-glassy materials, such as emulsions and foams. Based on numerical simulations of soft-glassy systems, we study the dynamics of plastic rearrangements at the hydrodynamic scales where thermal fluctuations can be neglected. Plastic rearrangements require an energy input, which can be either provided by external sources, or made available through time evolution in the coarsening dynamics, in which the total interfacial area decreases as a consequence of the slow evolution of the dispersed phase from smaller to large droplets/bubbles. We first demonstrate that our hydrodynamic model can quantitatively reproduce such coarsening dynamics. Then, considering periodically oscillating strains, we characterize the number of plastic rearrangements as a function of the external energy-supply, and show that they can be regarded as activated processes induced by a suitable "noise" effect. Here we use the word noise in a broad sense, referring to the internal non-equilibrium dynamics triggered by spatial random heterogeneities and coarsening. Finally, by exploring the interplay between the internal characteristic time-scale of the coarsening dynamics and the external time-scale associated with the imposed oscillating strain, we show that the system exhibits the phenomenon of stochastic resonance, thereby providing further credit to the mechanical activation scenario.

cond-mat.soft↗

arXiv2014

An accurate and efficient Lagrangian sub-grid model

A computationally efficient model is introduced to account for the sub-grid scale velocities of tracer particles dispersed in statistically homogeneous and isotropic turbulent flows. The model embeds the multi-scale nature of turbulent temporal and spatial correlations, that are essential to reproduce multi-particle dispersion. It is capable to describe the Lagrangian diffusion and dispersion of temporally and spatially correlated clouds of particles. Although the model neglects intermittent corrections, we show that pair and tetrad dispersion results nicely compare with Direct Numerical Simulations of statistically isotropic and homogeneous $3D$ turbulence. This is in agreement with recent observations that deviations from self-similar pair dispersion statistics are rare events.

physics.flu-dyn↗

arXiv2014

Direct evidence of plastic events and dynamic heterogeneities in soft-glasses

By using fluid-kinetic simulations of confined and concentrated emulsion droplets, we investigate the nature of space non-homogeneity in soft-glassy dynamics and provide quantitative measurements of the statistical features of plastic events in the proximity of the yield-stress threshold. Above the yield stress, our results show the existence of a finite stress correlation scale, which can be mapped directly onto the {\it cooperativity scale}, recently introduced in the literature to capture non-local effects in the soft-glassy dynamics. In this regime, the emergence of a separate boundary (wall) rheology with higher fluidity than the bulk, is highlighted in terms of near-wall spontaneous segregation of plastic events. Near the yield stress, where the cooperative scale cannot be estimated with sufficient accuracy, the system shows a clear increase of the stress correlation scale, whereas plastic events exhibit intermittent clustering in time, with no preferential spatial location. A quantitative measurement of the space-time correlation associated with the motion of the interface of the droplets is key to spot the long-range amorphous order at the yield stress threshold.

cond-mat.soft↗

arXiv2013

Hydrodynamics of air entrainment by moving contact lines

We study the dynamics of the interface between two immiscible fluids in contact with a chemically homogeneous moving solid plate. We consider the generic case of two fluids with any viscosity ratio and of a plate moving in either directions (pulled or pushed in the bath). The problem is studied by a combination of two models, namely an extension to finite viscosity ratio of the lubrication theory and a Lattice Boltzmann method. Both methods allow to resolve, in different ways, the viscous singularity at the triple contact between the two fluids and the wall. We find a good agreement between the two models particularly for small capillary numbers. When the solid plate moves fast enough, the entrainment of one fluid into the other one can occur. The extension of the lubrication model to the case of a non-zero air viscosity, as developed here, allows us to study the dependence of the critical capillary number for air entrainment on the other parameters in the problem (contact angle and viscosity ratio).

physics.flu-dyn↗

arXiv2012

Extreme events in the dispersions of two neighboring particles under the influence of fluid turbulence

We present a numerical study of two-particle dispersion from point-sources in 3D incompressible Homogeneous and Isotropic turbulence, at Reynolds number Re \simeq 300. Tracer particles are emitted in bunches from localized sources smaller than the Kolmogorov scale. We report the first quantitative evidence, supported by an unprecedented statistics, of the deviations of relative dispersion from Richardson's picture. Deviations are due to extreme events of pairs separating much faster than average, and of pairs remaining close for long times. The two classes of events are the fingerprint of complete different physics, the former being dominated by inertial subrange and large-scale fluctuations, while the latter by the dissipation subrange. A comparison of relative separation in surrogate white-in-time velocity field, with correct viscous-, inertial- and integral-scale properties allows us to assess the importance of temporal correlations along tracer trajectories.

physics.flu-dyn↗

arXiv2012

On the efficiency and accuracy of interpolation methods for spectral codes

In this paper a general theory for interpolation methods on a rectangular grid is introduced. By the use of this theory an efficient B-spline based interpolation method for spectral codes is presented. The theory links the order of the interpolation method with its spectral properties. In this way many properties like order of continuity, order of convergence and magnitude of errors can be explained. Furthermore, a fast implementation of the interpolation methods is given. We show that the B-spline based interpolation method has several advantages compared to other methods. First, the order of continuity of the interpolated field is higher than for other methods. Second, only one FFT is needed whereas e.g. Hermite interpolation needs multiple FFTs for computing the derivatives. Third, the interpolation error almost matches the one of Hermite interpolation, a property not reached by other methods investigated.

physics.comp-ph↗