Istituto Nazionale di Ricerca Metrologica
Machine learning interatomic potentials (MLIPs) are transforming materials science and engineering by enabling the study of complex phenomena, such as those critical to battery operation. In this work, we benchmark the MACE machine learning model against a well-trained DeePMD potential for predicting interstitial lithium diffusivity in LiF, a key component in the solid electrolyte interphase in Li ion batteries. Our results demonstrate that the MACE-MPA-0 foundational model achieves comparable accuracy to well-trained DeePMD, in predicting key diffusion properties based on molecular dynamics simulation, while requiring minimal or no training data. For instance, the MACE-MPA-0 predicts an activation energy Ea of 0.22 eV, the fine-tuned model with only 300 data points predicts Ea = 0.20 eV, both of which show good agreement with the DeePMD model reference value of Ea = 0.24 eV. In this work, we provide a solid test case where fine-tuning approaches - whether using data generated for DeePMD or data produced by the foundational MACE model itself - yield similar robust performance to the DeePMD potential trained with over 40,000 actively learned data, albeit requiring only a fraction of the training data.
We introduce a method to simulate open quantum many-body dynamics by combining time-dependent variational Monte Carlo (tVMC) with quantum trajectory techniques. Our approach unravels the Lindblad master equation into an ensemble of stochastic Schrödinger equations for a variational ansatz, avoiding the exponential cost of density matrix evolution. The method is compatible with generic ansätze, including expressive neural-network wavefunctions. We derive the nonlinear stochastic equations of motion for the variational parameters and employ suitable Stratonovich numerical solvers. To validate our approach, we simulate quenches in the locally dissipative long-range Ising model in a transverse field, accurately capturing non-equilibrium magnetization and spin squeezing dynamics relevant to trapped-ion and Rydberg atom experiments. The framework is computationally efficient, scalable on high-performance computing platforms, and can be readily integrated into existing tVMC implementations. This work enables large-scale simulations of complex, dissipative quantum systems in higher dimensions, with broad implications for quantum technology and fundamental science.
Very-low-field MRIs are becoming increasingly popular due to their portability and adaptability to different environments. They are being successfully used for various clinical applications, leading to a paradigm shift in the way imaging care is typically performed. The development of low-cost MRI scanner prototypes began a few years ago, with some interesting and promising open-source projects emerging in both hardware and software design. Using permanent magnets (PMs) to generate the static magnetic field B0 can substantially reduce the manufacturing cost of low-field scanners while achieving satisfactory homogeneity. This article focuses on characterizing magnet performance in terms of B0 spatial homogeneity. Specifically, it investigates its sensitivity to various factors and explores the reasons for discrepancies between numerical expectations and actual measurements on fabricated magnets. The analysis also examines the consequences of using different numerical model approximations, revisiting concepts most frequently used in other design contexts. While these assumptions simplify the numerical model and may improve its performance in terms of computational time, this paper demonstrates that they also impact the reliability of the obtained results.
This ia a review/research paper on anomalies applied to a bottom-up approach to standard model and gravity. It is divided in two parts. The first consists in a review proper of anomalies in quantum field theories. Anomalies are analyzed according to three different methods: a perturbative one based on Feynman diagram, a non-perturbative one relying on the Schwinger-DeWitt approach and, third, the one hinging on the Atiyah-Singer family's index theorem. The three methods are applied both to chiral gauge anomalies and trace anomalies. The fundamental distinction that our presentation leads to is between obstructive (O) and non-obstructive (NO) anomalies. The former are tied to the non-existence of fermion propagators, which fatally maim the corresponding theory. In the second part we apply this analysis to the SM and various of its extensions immersed in a gravitational background, and find that they all are plagued by a residual chiral trace anomaly. To completely eliminate all kind of dangerous anomalies in SM-like theories we propose a somewhat unconventional scheme, and exemplify it by means of an explicit model. The latter is a left-right symmetric model. We embed it in a Weyl geometry to render it conformal invariant. We then deal with some of its quantum aspects, in particular its even (NO) trace anomalies and the means to preserve its confomal invariance at the quantum level. We briefly review renormalization and unitarity in the framework of similar models discussed in the existing literature. Finally we present a possible (conjectural) application of the model to describe the junction between cosmology and quantum field theory.
A field-effect transistor (FET) amplifier for small voltage signals is presented. Its design is elementary and the construction can be afforded by anyone. Despite its simplicity, with a voltage noise less than 1 nV/sqrt(Hz), it outperforms commercially available integrated FET amplifiers. The amplifier has a gain flatness better than 1 dB over 1 MHz bandwidth; it can be employed as a front-end for signal analyzers or signal recovery systems.
Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we identify over 33,000 materials with potential as energy materials forming the Energy-GNoME database. Leveraging Machine Learning (ML) and Deep Learning (DL) tools, our protocol mitigates cross-domain data bias using feature spaces to identify potential candidates for thermoelectric materials, novel battery cathodes, and novel perovskites. Classifiers with both structural and compositional features identify domains of applicability, where we expect enhanced accuracy of the regressors. Such regressors are trained to predict key materials properties like, thermoelectric figure of merit (zT), band gap (Eg), and cathode voltage (ΔVc\Delta V_c). This method significantly narrows the pool of potential candidates, serving as an efficient guide for experimental and computational chemistry investigations and accelerating the discovery of materials suited for electricity generation, energy storage and conversion.
Although Lattice Boltzmann Method (LBM) is relatively straightforward, it demands a well-crafted framework to handle the complex partial differential equations involved in multiphase flow simulations. For the first time to our knowledge, this work proposes a novel LBM framework for solving Eulerian-Eulerian multiphase flow equations without any finite-difference correction. The proposed methodology and all reported LBM formulas can be already applied to any dimension. This opens a promising venue for simulating multiphase flows on large High Performance Computing (HPC) facilities and on novel parallel hardware. This LBM framework consists of six coupled LBM schemes - running on the same lattice - ensuring an efficient implementation in large codes with minimum effort. The preliminary numeral results agree in an excellent way with the a reference numerical solution obtained by a traditional finite difference solver.
In this work we present the results of an experiment to locally resolve the spin Seebeck effect in a high-quality Pt/YIG sample. We achieve this by employing a locally heated scanning thermal probe to generate a highly local non-equilibrium spin current. To support our experimental results, we also present a model based on the non-equilibrium thermodynamic approach which is in a good agreement with experimental findings. To further corroborate our results, we index the locally resolved spin Seebeck effect with that of the local magnetisation texture by MFM and correlate corresponding regions. We hypothesise that this technique allows imaging of magnetisation textures within the magnon diffusion length and hence characterisation of spin caloritronic materials at the nanoscale.
Isomerization, i.e. the rearrangement between distinct molecular configurations, is a fundamental process in chemistry. Here we demonstrate that two-dimensional Coulomb crystals can emulate molecular isomerization and be used to characterize its physical mechanisms. In our molecular analogue, the confining potential acts as an electronic orbital, which can be tuned continuously and dynamically. We use a planar crystal of six 138Ba+ ions, which exhibits two stable configurations depending on the aspect ratio of the harmonic trapping potential. By changing this aspect ratio, we directly modify the potential energy surface (PES) of the ion crystal, and trigger isomerization in a controlled way. We identify a region of bistability between the two isomers, and use configuration-resolved imaging to detect isomerization in real time. A Monte Carlo simulation is used to calculate the double well PES. By comparing simulated transition rates with experimental population ratios, we estimate the crystal's temperature. Additionally, we prepare metastable configurations by rapidly quenching the PES, and detect isomerization dynamics with sub-millisecond resolution. Our work establishes a new platform for emulating molecular processes, paving the way for studying quantum superpositions of crystal configurations, and for controlling isomeric excitations in two-dimensional Coulomb crystals.
Spin-orbit torque (SOT) is a promising switching mechanism for magnetic random-access memory (MRAM) as a result of the potential for improved switching speed and energy-efficiency. It is of particular interest to develop an SOT-MRAM device with perpendicular magnetic anisotropy (PMA) in order to leverage the greater density and thermal stability achievable with PMA as opposed to in-plane magnetic anisotropy. However, the orthogonality between SOT and PMA prevents deterministic directional switching without an additional device component that breaks the symmetry, such as an external magnetic field or complex physical structure; not only do these components complicate fabrication, they also are not robust to variations in fabrication and applied switching current. This letter therefore proposes a simple SOT-MRAM structure with PMA in which deterministic toggle switching is achieved without requiring additional device components. Furthermore, this toggle PMA SOT-MRAM is shown to be far more robust than previous approaches for directional PMA SOT-MRAM, with greater than 50% tolerance to applied switching current magnitude. This letter describes the physical structure and toggle switching mechanism, provides micromagnetic simulations demonstrating its feasibility, and evaluates the robustness and tolerance to material parameters to guide the fabrication of optimized devices that will jumpstart the third generation of MRAM.
We employ the Boltzmann transport approach to derive the spontaneous Nernst coefficient for ferromagnetic metals, explicitly treating the transverse current density due to Berry curvature as a Fermi surface property. We find that the spontaneous Nernst coefficient is proportional to the inverse of the scattering time constant, implying that efficient spontaneous Nernst materials should exhibit relatively strong scattering, a stark contrast to ordinary Nernst materials. Furthermore, we establish a direct connection between the strength and sign of the spontaneous Nernst coefficient and the itinerant contribution to orbital angular momentum density arising from the Bloch bands. Finally we construct a rigid two-bands model to evaluate the thermoelectric coefficients by which we find a good agreement with the signs and orders of magnitude of the experimental coefficients of magnetic 3d transition metal ferromagnets. We finally propose some practical recipes for maximizing the spontaneous Nernst effect through electronic band structure tailoring.
Optical clocks provide ultra-precise frequency references that are vital for international metrology as well as for tests of fundamental physics. To investigate the level of agreement between different clocks, we simultaneously measured the frequency ratios between ten optical clocks in six different countries, using fiber and satellite links. This is the largest coordinated comparison to date, from which we present a subset of 38 optical frequency ratios and an evaluation of the correlations between them. Four ratios were measured directly for the first time, while others had significantly lower uncertainties than previously achieved, supporting the advance towards a redefinition of the second and the use of optical standards for international time scales.
Turbulence plays an important part in determining the chemical and physical processes, on both the micro- and macro-scales, whereby clouds are formed and behave. However, exactly how these are linked together and how turbulence impacts each of these processes is not yet fully understood. This is partly due to a lack of in-situ small scale fluctuation measurements due to a limitation in the available technology. It is in this context that the radiosondes, for which the material characterisation is presented in this paper, are being developed to generate a Lagrangian set of data which can be used to improve the ever-expanding knowledge of atmospheric processes and, in particular, the understanding of the interaction between turbulence and micro-physical phenomenologies inside clouds (this http URL). Specifically, the materials developed for the balloons are discussed in further detail within this paper. Mater Bi and polylactic acid are the two common biodegradable thermoplastics that were used initially to make the balloons. To tailor their properties, the balloons were then coated with carnauba wax blended with either pine resin or SiO_2 nanoparticles. The properties such as hydrophobicity, toughness, elasticity and helium gas permeability are investigated and improved in order to keep the density of the radiosondes as constant as possible for a couple of hours. This will allow them to float inside and outside clouds on an isopycnic surface, to measure various properties such as velocity, temperature, pressure and humidity by means of solid state sensors and to transmit them to receivers on Earth. Tests have been made under a rigorous metrological approach comparing the 6 new materials with two reference balloon materials, latex and mylar. It was found that Mater Bi with the two carnaubua wax coatings is the most suited..
We present the results of a multiwavelength campaign of FRB 20201124A, the third closest repeating fast radio burst recently localized in a nearby (z=0.0978) galaxy. Deep VLA observations led to the detection of quiescent radio emission, also marginally visible in X-rays with Chandra. Imaging at 22 GHz allowed us to resolve the source on a scale of \gtrsim 1 arcsec and locate it at the position of the FRB, within an error of 0.2 arcsec. EVN and e-MERLIN observations sampled small angular scales, from 2 to 100 mas, providing tight upper limits on the presence of a compact source and evidence for diffuse radio emission. We argue that this emission is associated with enhanced star formation activity in the proximity of the FRB, corresponding to a star formation rate of 10 Myr1\approx 10\ {\rm M}_\odot {\rm yr}^{-1}. The surface star formation rate at the location of FRB 20201124A is two orders of magnitude larger than typically observed in other precisely localized FRBs. Such a high SFR is indicative of this FRB source being a new-born magnetar produced from a SN explosion of a massive star progenitor. Upper limits to the X-ray counterparts of 49 radio bursts observed in our simultaneous FAST, SRT and Chandra campaign are consistent with a magnetar scenario.
This work presents a novel formulation for a redefinition of the second based on the weighted arithmetic mean of multiple normalized frequencies. We demonstrate that it is mathematically equivalent to the previously discussed implementation employing a geometric mean. In our reformulation, the normalization of frequencies provides the defining constants with immediate physical meaning, while maintaining the decoupling of assigned weights from the frequencies of the reference transitions. We believe that a definition based on this formulation would be significantly more accessible to both experts and non-specialists, enhancing understanding and facilitating broader acceptance. We hope that this approach will help overcome barriers to the adoption of a redefinition that effectively values all state-of-the-art atomic clocks.
We demonstrate the enhancement and optimization of a cold strontium atomic beam from a two-dimensional magneto-optical trap (2D-MOT) transversely loaded from a collimated atomic beam by adding a sideband frequency to the cooling laser. The parameters of the cooling and sideband beams were scanned to achieve the maximum atomic beam flux and compared with Monte Carlo simulations. We obtained a 2.3 times larger, and 4 times brighter, atomic flux than a conventional, single-frequency 2D-MOT, for a given total power of 200 mW. We show that the sideband-enhanced 2D-MOT can reach the loading rate performances of space demanding Zeeman slower-based systems, while it can overcome systematic effects due to thermal beam collisions and hot black-body radiation shift, making it suitable for both transportable and accurate optical lattice clocks. Finally we numerically studied the possible extensions of the sideband-enhanced 2D-MOT to other alkaline-earth species.
Accurate design of labelled oligo probes for the detection of miRNA biomarkers by Surface Enhanced Raman Scattering (SERS) may improve the exploitation of the plasmonic enhancement. This work, thus, critically investigates the role of probe labelling configuration on the performance of SERS based bioassays for miRNA quantitation. To this aim, highly efficient SERS substrates based on Ag-decorated porous silicon/PDMS membranes are functionalized according to two different bioassays relying on a one-step or two-step hybridization of the target miRNA with oligonucleotide probes. The detection configuration is varied, exploring the impact of the position of the Raman reporter along the oligo sequence and of the reporter identity on bioassay sensitivity. In the high miRNA concentration regime(100-10 nM), a significantly increased SERS intensity is detected when the reporters are located closer to the plasmonic surface compared to farther probe labelling positions. Counterintuitively, a levelling-off of the SERS intensity from the two configuration is instead recorded at low miRNA concentration. Such effect is explained by an increased contribution of Raman hot spot to the whole SERS signal, as confirmed by simulations of the electric near field for a simplified model of the Ag nanostructures. The beneficial effect of reducing the reporter-to-surface distance is however partially retained for the two-step hybridization assay thanks to the less sterically hindered environment in which the second hybridization occurs. The study thus demonstrates that the limit of detection of the assay can be lowered by tuning the probe labelling position, but sheds at the same time light on the complexity of the bionanointerfaces in SERS and on the multiple factors affecting bioassay sensitivity.
Optical measurements enable non-contact and high-speed monitoring of physical processes, offering a non-invasive and versatile approach across a wide range of fields, from scientific research to industrial applications. This work presents an optical sensor capable of simultaneously measuring both the distance and thermal emission from surfaces, based on a simple laser diode probe. The principle of operation integrates triangulation with pyrometry in a single device, leveraging the monitor photodiode embedded within the probe module. By alternating the probe laser emission, the system can rapidly switch between dimensional and thermal measurements, resulting in combined data acquisition. The proposed method is compact, easy to integrate, and cost-effective. The hybrid sensor is demonstrated in a laser processing setup, where a metallic target is heated and melted by a high-power laser beam. Its inline operation allows for real-time dynamic measurements of melt pool distance and radiance, in a coaxial and self-aligning configuration. This innovative approach can be applied to various fields, such as remote environmental sensing and closed-loop control systems for stabilizing high-temperature processes, including laser welding and additive manufacturing.
We derive analytically the leading beyond-mean field contributions to the zero-temperature equation of state and to the fermionic quasi-particle residue and effective mass of a dilute Bose-Fermi mixture in two dimensions. In the repulsive case, we perform quantum Monte Carlo simulations for two representative bosonic concentrations and equal masses, extending a method for correcting finite-size effects in fermionic gases to Bose-Fermi mixtures. We find good agreement between analytic expressions and numerical results for weak interactions, while significant discrepancies appear in the regime close to mechanical instability, above which we provide evidence of phase separation of the bosonic component.
We demonstrate a free-space amplitude modulator for mid-infrared radiation (lambda=9.6 um) that operates at room temperature up to at least 20 GHz (above the -3dB cutoff frequency measured at 8.2 GHz). The device relies on the ultra-fast transition between weak and strong-coupling regimes induced by the variation of the applied bias voltage. Such transition induces a modulation of the device reflectivity. It is made of a semiconductor heterostructure enclosed in a judiciously designed array of metal-metal optical resonators, that - all-together - behave as an electrically tunable surface. At negative bias, it operates in the weak light-matter coupling regime. Upon application of an appropriate positive bias, the quantum wells populate with electrons and the device transitions to the strong-coupling regime. The modulator transmission keeps linear with input RF power in the 0dBm - 9dBm range. The increase of optical powers up to 25 mW exhibit a weak beginning saturation a little bit below.
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