arXiv subjects

Alessandro Mirone

Publications and source records attributed to Alessandro Mirone.

At least 19 recordsLinked to original sources

arXiv2026

Complete virtual unwrapping and reading of a rolled Herculaneum papyrus

The carbonized papyri from Herculaneum preserve the only large-scale library to survive from classical antiquity, but many unopened rolls remain unread because physical opening risks irreversible damage. X-ray computed microtomography ($\mu$CT) and virtual unwrapping offer a non-invasive route to their texts, yet previous work on sealed Herculaneum scrolls has recovered only localized readings or limited surface regions. Here, using high-resolution phase-contrast $\mu$CT acquired on the BM18 beamline at the European Synchrotron Radiation Facility (ESRF), together with improved computational unrolling and machine learning, we achieve the complete virtual unwrapping and reading of PHerc. 1667 under explicit coverage and papyrological-review criteria. This makes PHerc. 1667 the first Herculaneum papyrus to be fully digitally unrolled and read for extended scholarly study without physical opening. In PHerc. Paris 4, the optimized scan protocol makes ink directly visible in the tomographic volume, allowing three-dimensional ink segmentation and independent validation of surface-conditioned ink recovery. In PHerc. 139, we recover title and author-attribution evidence identifying the scroll as Philodemus, On Gods, Book 8. These results move virtual unwrapping of the Herculaneum scrolls beyond isolated demonstrations towards a scalable framework for systematic recovery of the still-unopened library.

eess.IV↗

arXiv2026

Fast Eikonal Phase Retrieval for High-Throughput Beamlines

We introduce a fast Eikonal Phase Retrieval (EPR) formulation that accelerates eikonal phase retrieval by more than two orders of magnitude while retaining controlled accuracy. The method is derived from a second-order asymptotic expansion in the propagation distance $L$ and complemented by the leading Wentzel--Kramers--Brillouin (WKB) wave-optics correction, yielding an efficient iterative correction scheme preconditioned by FFT-diagonal, energy-dependent inverse operators (Paganin-type filters). To ensure robustness across practical experimental regimes, we combine two complementary solvers: (i) a local $O(L^2)$ closure that is accurate when eikonal shifts remain sub-pixel, and (ii) a non-local formulation for multi-pixel shifts, in which intensity is propagated through an explicit eikonal ray mapping using a mass-conserving bilinear redisribution on the detector grid, and detector residuals are transferred back to the object grid by the corresponding adjoint (transpose), implemented as bilinear interpolation, before applying an approximate FFT-diagonal preconditioner to accelerate convergence. The same framework supports polychromatic data through a compact spectral discretisation, allowing energy-dependent transport and inversion while keeping the iteration GPU/FFT efficient. Overall, this unified approach enables accurate and computationally efficient phase retrieval across propagation conditions relevant to high-throughput PPC-$\mu$CT experiments.

physics.optics↗

arXiv2025

Multichannel active-space embedding of atomic multiplets in plane-wave DFT/PAW for core-level spectroscopies

We introduce an active-space embedding framework for core-level spectroscopies that connects localized atomic multiplets to continuum resonances within a plane-wave DFT/PAW description. The approach is complementary to widely used core-level Bethe--Salpeter implementations based on a two-particle (core-exciton) picture with typically static screening: here a correlated multiplet manifold of the absorber (including the core hole and open-shell configurations) is coherently coupled to a plane-wave photoelectron, enabling a unified treatment of localized multiplet structure and continuum lineshapes. Spectra are computed in a general time-domain formulation equivalent to Fermi's golden rule: a transition operator tailored to the specific spectroscopy technique is applied to the correlated ground state to generate an excited wavepacket, and the corresponding wavepacket autocorrelation function is evaluated without explicit real-time propagation, using Lanczos tridiagonalization or the kernel polynomial method; the spectral intensity follows from its Fourier representation. We validate the method at the Ce $N_{4,5}$ edges, reproducing in quantitative agreement with experiment both high-$Q$ multiplet features and the low-$Q$ giant dipole resonance continuum, including a characteristic low-energy shoulder relevant for robust Ce valence assignments. The implementation is available open-source within the Quantum ESPRESSO XSPECTRA package (xspectruplet mode), together with reproducible inputs and scripts.

cond-mat.str-el↗

arXiv2023

Eikonal phase retrieval: Unleashing the fourth generation sources potential for enhanced propagation based tomography on biological samples

The evolution of synchrotrons towards higher brilliance beams has increased the possible sample-to-detector propagation distances for which the source confusion circle does not lead to geometrical blurring. This makes it possible to push near-field propagation driven phase contrast enhancement to the limit, revealing low contrast features which would otherwise remain hidden under an excessive noise. Until today this possibility was hindered, in many objects of scientific interest, by the simultaneous presence of strong phase gradient regions and low contrast features. The strong gradients, when enhanced with the now possible long propagation distances, induce such strong phase effects that the linearisation assumptions of current state-of-the-art single-distance phase retrieval filters are broken, and the resulting image quality is jeopardized. Here, we introduce a new iterative phase-retrieval algorithm and compare it with the Paganin phase-retrieval algorithm, in both the monochromatic and polychromatic cases, obtaining superior image quality. In the polychromatic case the comparison was done with an extrapolated Paganin algorithm obtained by reintroducing, into our phase retrieval algorithm, the linearization approximations underlying the Paganin forward model. Our work provides an innovative algorithm which efficiently performs the phase retrieval task over the entire near-field range, producing images of exceptional quality for mixed attenuation objects.

physics.med-ph↗

arXiv2020

Boosting spatial resolution by incorporating periodic boundary conditions into single-distance hard-x-ray phase retrieval

A simple coherent-imaging method due to Paganin et al. is widely employed for phase-amplitude reconstruction of samples using a single paraxial x-ray propagation-based phase-contrast image. The method assumes that the sample-to-detector distance is sufficiently small for the associated Fresnel number to be large compared to unity. The algorithm is particularly effective when employed in a tomographic setting, using a single propagation-based phase-contrast image for each projection. Here we develop a simple extension of the method, which improves the reconstructed contrast of very fine sample features. This provides first-principles motivation for boosting fine spatial detail associated with high Fourier frequencies, relative to the original method, and was inspired by several recent works employing empirically-obtained Fourier filters to a similar end.

eess.IV↗

arXiv2018

High-Pressure Elasticity Tensor from Thermal Diffuse Scattering

We report on the determination of high-pressure elasticity from thermal diffuse x-ray scattering of magnesium oxide at pressures up to 28 GPa. We find that the full elasticity tensor as a function of pressure can be extracted from x-ray scattering of single crystals. This enables the simultaneous measurement of elasticity and crystal structure from a single experiment and thus marks a decisive step towards establishing reliable calibration for extreme pressures. Elastic constants can be extracted with this method from small crystals of arbitrary symmetry, shape and optical properties and will allow for significant progress in our understanding of the elastic behaviour of planets interior at geophysically relevant conditions, structural phase transitions and fundamental interactions of phonons with other quasi-particles.

cond-mat.mtrl-sci↗

arXiv2017

The Spectral Coupled Cluster Method with $k$ dependency for strongly correlated lattices

We adapt the Coupled Cluster Method to solid state strongly correlated lattice Hamiltonians extending the Coupled Cluster linear response method to the calculation of electronic spectra and obtaining the space-time Fourier transforms of generic Green's functions. We apply our method to the $MnO_2$ plane with orbital and magnetic ordering, to interpret electron energy loss experimental data, and to the Hubbard model, where we get insight into a possible pairing mechanism.

cond-mat.str-el↗

arXiv2016

Full elasticity tensor from thermal diffuse scattering

We present a method for the precise determination of the full elasticity tensor from a single crystal diffraction experiment using monochromatic X-rays. For the two benchmark systems calcite and magnesium oxide we show that the measurement of thermal diffuse scattering in the proximity of Bragg reflections provides accurate values of the complete set of elastic constants. This approach allows for a reliable and model free determination of the elastic properties and can be performed together with crystal structure investigation in the same experiment.

cond-mat.mtrl-sci↗

arXiv2016

A practical local tomography reconstruction algorithm based on known subregion

We propose a new method to reconstruct data acquired in a local tomography setup. This method uses an initial reconstruction and refines it by correcting the low frequency artifacts known as the cupping effect. A basis of Gaussian functions is used to correct the initial reconstruction. The coefficients of this basis are iteratively optimized under the constraint of a known subregion. Using a coarse basis reduces the degrees of freedom of the problem while actually correcting the cupping effect. Simulations show that the known region constraint yields an unbiased reconstruction, in accordance to uniqueness theorems stated in local tomography.

physics.med-ph↗

arXiv2015

Lattice dynamics of MgSiO$_3$ perovskite (bridgmanite) studied by inelastic x-ray scattering and ab initio calculations

We have determined the lattice dynamics of MgSiO$_3$ perovskite (bridgmanite) by a combination of single-crystal inelastic x-ray scattering and ab initio calculations. We observe a remarkable agreement between experiment and theory, and provide accurate results for phonon dispersion relations, phonon density of states and the full elasticity tensor. The present work constitutes an important milestone to extend this kind of combined studies to extreme conditions of pressure and temperature, directly relevant for the physics and the chemistry of Earth's lower mantle.

cond-mat.mtrl-sci↗

arXiv2015

A conjugate subgradient algorithm with adaptive preconditioning for LASSO minimization

This paper describes a new efficient conjugate subgradient algorithm which minimizes a convex function containing a least squares fidelity term and an absolute value regularization term. This method is successfully applied to the inversion of ill-conditioned linear problems, in particular for computed tomography with the dictionary learning method. A comparison with other state-of-art methods shows a significant reduction of the number of iterations, which makes this algorithm appealing for practical use.

physics.data-an↗

arXiv2015

Ring artifacts correction in compressed sensing tomographic reconstruction

We present a novel approach to handle ring artifacts correction in compressed sensing tomographic reconstruction. The correction is part of the reconstruction process, which differs from classical sinogram pre-processing and image post-processing techniques. The principle of compressed sensing tomographic reconstruction is presented. Then, we show that the ring artifacts correction can be integrated in the reconstruction problem formalism. We provide numerical results for both simulated and real data. This technique is included in the PyHST2 code which is used at the European Synchrotron Radiation Facility for tomographic reconstruction.

physics.comp-ph↗

arXiv2015

Lattice dynamics of α-cristobalite and the Boson peak in silica glass

The lattice dynamics of the silica polymorph α-cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational density of states are reported and the phonon eigenvectors analysed by a detailed comparison of scattering intensities. The experimentally validated calculation is used to identify the vibration contributing most to the first peak in the density of vibrational states. The comparison of its displacement pattern to the silica polymorphs α-quartz and coesite and to vitreous silica reveals a distinct similarity and allows for decisive conclusions on the vibrations causing the so-called Boson peak in silica glass.

cond-mat.mtrl-sci↗

arXiv2013

PyHST2: an hybrid distributed code for high speed tomographic reconstruction with iterative reconstruction and a priori knowledge capabilities

We present the PyHST2 code which is in service at ESRF for phase-contrast and absorption tomography. This code has been engineered to sustain the high data flow typical of the third generation synchrotron facilities (10 terabytes per experiment) by adopting a distributed and pipelined architecture. The code implements, beside a default filtered backprojection reconstruction, iterative reconstruction techniques with a-priori knowledge. These latter are used to improve the reconstruction quality or in order to reduce the required data volume and reach a given quality goal. The implemented a-priori knowledge techniques are based on the total variation penalisation and a new recently found convex functional which is based on overlapping patches. We give details of the different methods and their implementations while the code is distributed under free license. We provide methods for estimating, in the absence of ground-truth data, the optimal parameters values for a-priori techniques.

math.NA↗

arXiv2013

A Convex Functional for Image Denoising based on Patches with Constrained Overlaps and its vectorial application to Low Dose Differential Phase Tomography

We solve the image denoising problem with a dictionary learning technique by writing a convex functional of a new form. This functional contains beside the usual sparsity inducing term and fidelity term, a new term which induces similarity between overlapping patches in the overlap regions. The functional depends on two free regularization parameters: a coefficient multiplying the sparsity-inducing $L_{1}$ norm of the patch basis functions coefficients, and a coefficient multiplying the $L_{2}$ norm of the differences between patches in the overlapping regions. The solution is found by applying the iterative proximal gradient descent method with FISTA acceleration. In the case of tomography reconstruction we calculate the gradient by applying projection of the solution and its error backprojection at each iterative step. We study the quality of the solution, as a function of the regularization parameters and noise, on synthetic datas for which the solution is a-priori known. We apply the method on experimental data in the case of Differential Phase Tomography. For this case we use an original approach which consists in using vectorial patches, each patch having two components: one per each gradient component. The resulting algorithm, implemented in the ESRF tomography reconstruction code PyHST, results to be robust, efficient, and well adapted to strongly reduce the required dose and the number of projections in medical tomography.

math.NA↗

arXiv2013

Lattice dynamics of coesite

The lattice dynamics of coesite has been studied by a combination of diffuse x-ray scattering, inelastic x-ray scattering and an ab initio lattice dynamics calculation. The combined technique gives access to the full lattice dynamics in harmonic description and thus eventually provides detailed information on the elastic properties, the stability and metastability of crystalline systems. The experimentally validated calculation was used for the investigation of eigenvectors, mode character and their influence on the density of vibrational states. High symmetry sections of the reciprocal space distribution of diffuse scattering and inelastic x-ray scattering spectra as well as the density of vibrational states and the dispersion relation are reported and compared to the calculation. A critical point at the zone boundary is found to contribute strongly to the main peak of the low energy part in the density of vibrational states. Comparison with the most abundant SiO2 polymorph - alpha-quartz - reveals similarities and distinct differences in the low-energy vibrational properties.

cond-mat.mtrl-sci↗

arXiv2012

Efficient and accurate solver of the three-dimensional screened and unscreened Poisson's equation with generic boundary conditions

We present an explicit solver of the three-dimensional screened and unscreened Poisson's equation which combines accuracy, computational efficiency and versatility. The solver, based on a mixed plane-wave / interpolating scaling function representation, can deal with any kind of periodicity (along one, two, or three spatial axes) as well as with fully isolated boundary conditions. It can seamlessly accommodate a finite screening length, non-orthorhombic lattices and charged systems. This approach is particularly advantageous because convergence is attained by simply refining the real space grid, namely without any adjustable parameter. At the same time, the numerical method features O(N log N) scaling of the computational cost (N being the number of grid points) very much like plane-wave methods. The methodology, validated on model systems, is tailored for leading-edge computer simulations of materials (including ab initio electronic structure computations), but it might as well be beneficial for other research domains.

cond-mat.mtrl-sci↗

arXiv2012

Ground state and excitation spectra of a strongly correlated lattice by the coupled cluster method

We apply Coupled Cluster Method to a strongly correlated lattice and develop the Spectral Coupled Cluster equations by finding an approximation to the resolvent operator, that gives the spectral response for an certain class of probe operators. We apply the method to a $MnO_2$ plane model with a parameters choice which corresponds to previous experimental works and which gives a non-nominal symmetry ground state. We show that this state can be observed using our Spectral Coupled Cluster Method by probing the Coupled Cluster solution obtained from the nominal reference state. In this case one observes a negative energy resonance which corresponds to the true ground state.

cond-mat.str-el↗