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Astrodynamics 2023年第3期7卷 363-379页

作者： Edoardo Ciccarelli nicola Baresi Surrey Space Centre University of SurreyGU27XHGuildfordUK

Understanding the internal composition of a celestial body is fundamental for formulating theories regarding its *** knowledge of the distribution of mass under the body’s crust can be achieved by analyzing its moments of inertia and gravity *** this regard,the two moons of the Martian system have not yet been closely studied and continue to pose questions regarding their origin to the space community;thus,they deserve further *** Martian Moons eXploration mission will be the first of its kind to sample and study Phobos over a prolonged *** study aims to demonstrate that the adoption of periodic and quasi-periodic retrograde trajectories would be beneficial for the scientific value of the ***,a covariance analysis was implemented to compare the estimation of high-order gravitational field coefficients from different orbital geometries and for different sets of processed *** was shown that the adoption of low-altitude non-planar quasi-satellite orbits would help to refine the knowledge of the moon’s libration angle and gravitational field.

关键词： covariance analysis Martian system geodetic navigation Martian Moons eXploration(MMX) Phobos

From Wagner to Wagner: reminiscences of the Bayreuth Festspielhaus in the reconstruction of the Carlo Felice Opera House in Genoa

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Frontiers of Architectural Research 2022年第5期11卷 917-933页

作者： nicola Delledonne College of Design and Built Environment Architecture DepartmentKing Fahd University of Petroleum and MineralsDhahran31261SaudiArabia

Around the middle of the nineteenth century, in the context of an extensive project to reform opera, German composer Richard Wagner began to envision a new kind of theater building that finally saw the light in 1876 in Bayreuth as the Festspielhaus. In the following century, Italian architect Aldo Rossi evoked its characteristic features in his reconstruction project of the Carlo Felice Opera House in Genoa, a building that had been partially destroyed during World War II and was reopened to the public in 1991. At the same time, he restored the relationship between architecture and the city that Wagnerian precepts had more or less consciously eliminated. By revisiting the time that separates the two buildings, and specifically the changes that the most important playhouses underwent, this essay attempts to capture the distinctive elements of the Wagnerian playhouse in order to evaluate what remains of them, what was omitted, and what was subtracted from later buildings that either exist only as projects or that were in fact actualized.

关键词： Theater Richard Wagner Aldo Rossi Bayreuth Genoa

Integrative Medicine——Traditional Chinese Medicine,A Model?

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Chinese Journal of Integrative Medicine 2011年第1期17卷 21-25页

作者： nicola Robinson Faculty of Health and Human Sciences Thames Valley UniversityUnited Kingdom

The paper explores the concept of integrative medicine（IM） in relation to complementary and alternative medicine（CAM）.It contrasts IM available in China to its availability in the *** second part of the paper highlights tools which could facilitate opportunities for *** paper concludes with a plea to ensure and maintain the integrity of traditional Chinese medical practice,and to continue to increase developing the evidence base through a funded European Coordination Action between EU member states and China.

关键词： integrative medicine traditional Chinese medicine evidence based medicine

Infrared-active phonons in one-dimensional materials and their spectroscopic signatures

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npj Computational Materials 2023年第1期9卷 331-337页

作者： Norma Rivano nicola Marzari Thibault Sohier Theory and Simulations of Materials(THEOS) École Polytechnique Fédérale de LausanneCH-1015 LausanneSwitzerland National Centre for Computational Design and Discovery of Novel Materials(MARVEL) École Polytechnique Fédérale de LausanneCH-1015 LausanneSwitzerland Laboratory for Materials Simulations Paul Scherrer Institut5232 Villigen PSISwitzerland Laboratoire Charles Coulomb(L2C) Universitéde MontpellierCNRSMontpellierFrance

Dimensionality provides a clear fingerprint on the dispersion of infrared-active,polar-optical *** these phonons,the local dipoles parametrized by the Born effective charges drive the LO-TO splitting of bulk materials;this splitting actually breaks down in two-dimensional ***,we develop the theory for one-dimensional(1D)systems—nanowires,nanotubes,and atomic and polymeric *** an analytical model with the implementation of density-functional perturbation theory in 1D boundary conditions,we show that the dielectric splitting in the dispersion relations collapses as x^(2) log(x)at the zone *** dielectric properties and the radius of the 1D materials are linked by the present work to these red shifts,opening infrared and Raman characterization avenues.

关键词： dimensional splitting dielectric

Solids that are also liquids: elastic tensors of superionic materials

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npj Computational Materials 2023年第1期9卷 2252-2264页

作者： Giuliana Materzanini Tommaso Chiarotti nicola Marzari Theory and Simulations of Materials(THEOS) École Polytechnique Fédérale de LausanneCH-1015 LausanneSwitzerland National Centre for Computational Design and Discovery of Novel Materials(MARVEL) École Polytechnique Fédérale de LausanneCH-1015 LausanneSwitzerland Present address:Institute of Condensed Matter and Nanosciences UniversitéCatholique de LouvainB-1348 Louvain-la-NeuveBelgium

Superionics are fascinating materials displaying both solid- and liquid-like characteristics: as solids, they respond elastically to shearstress;as liquids, they display fast-ion diffusion at normal conditions. In addition to such scientific interest, superionics aretechnologically relevant for energy, electronics, and sensing applications. Characterizing and understanding their elastic propertiesis, e.g., urgently needed to address their feasibility as solid-state electrolytes in all-solid-state batteries. However, static approachesto elasticity assume well-defined reference positions around which atoms vibrate, in contrast with the quasi-liquid motion of themobile ions in fast ionic conductors. Here, we derive the elastic tensors of superionics from ensemble fluctuations in the isobaric-isothermal ensemble, exploiting extensive Car-Parrinello simulations. We apply this approach to paradigmatic Li-ion conductors,and complement with a block analysis to compute statistical errors. Static approaches sampled over the trajectories oftenoverestimate the response, highlighting the importance of a dynamical treatment in determining elastic tensors in superionics.

关键词： ionic liquids ensemble

General invariance and equilibrium conditions for lattice dynamics in 1D,2D,and 3D materials

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npj Computational Materials 2022年第1期8卷 2280-2290页

作者： Changpeng Lin Samuel Poncé nicola Marzari Theory and Simulation of Materials(THEOS) École Polytechnique Fédérale de LausanneCH-1015LausanneSwitzerland National Centre for Computational Design and Discovery of Novel Materials(MARVEL) École Polytechnique Fédérale de LausanneCH-1015LausanneSwitzerland European Theoretical Spectroscopy Facility Institute of Condensed Matter and NanosciencesUniversitécatholique de LouvainChemin desÉtoiles 8B-1348Louvain-la-NeuveBelgium

The long-wavelength behavior of vibrational modes plays a central role in carrier transport,phonon-assisted optical properties,superconductivity,and thermomechanical and thermoelectric properties of ***,we present general invariance and equilibrium conditions of the lattice potential;these allow to recover the quadratic dispersions of flexural phonons in low-dimensional materials,in agreement with the phenomenological model for long-wavelength bending *** also prove that for any low-dimensional material the bending modes can have a purely out-of-plane polarization in the vacuum direction and a quadratic dispersion in the long-wavelength *** addition,we propose an effective approach to treat invariance conditions in crystals with non-vanishing Born effective charges where the long-range dipole-dipole interactions induce a contribution to the lattice potential and stress *** approach is successfully applied to the phonon dispersions of 158 two-dimensional materials,highlighting its critical relevance in the study of phonon-mediated properties of low-dimensional materials.

关键词： materials. lattice invariance

Automated mixing of maximally localized Wannier functions into target manifolds

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npj Computational Materials 2023年第1期9卷 229-237页

作者： Junfeng Qiao Giovanni Pizzi nicola Marzari Theory and Simulations of Materials(THEOS) and National Centre for Computational Design and Discovery of Novel Materials(MARVEL)École Polytechnique Fédérale de Lausanne1015 LausanneSwitzerland Laboratory for Materials Simulations(LMS) Paul Scherrer Institut(PSI)CH-5232 Villigen PSISwitzerland

Maximally localized Wannier functions(MLWFs)are widely used in electronic-structure *** have recently developed automated approaches to generate MLWFs that represent natural tight-binding sets of atomic-like orbitals;these describe accurately both the occupied states and the complementary unoccupied *** many applications,it is required to use MLWFs that describe instead certain target groups of bands:the valence or the conduction bands,or correlated ***,we start from these tight-binding sets of MLWFs,and mix them using a combination of parallel transport and maximal localization to construct manifold-remixed Wannier functions(MRWFs):these are orthogonal sets of MLWFs that fully and only span desired target *** algorithm is simple and robust,and is showcased here in reference applications(silicon,MoS_(2),and SrVO_(3))and in a mid-throughput study of 77 insulators.

关键词： maximal bands occupied

Real-time estimation of the structural utilization level of segmental tunnel lining

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Underground Space 2024年第4期17卷 132-145页

作者： nicola Gottardi Steffen Freitag Gunther Meschke Institute for Structural Mechanics Ruhr University BochumBochum 44801Germany Institute for Structural Analysis Karlsruhe Institute of TechnologyKarlsruhe 76131Germany

Over the last decades,an expansion of the underground network has been taking place to cope with the increasing amount of moving people and *** a consequence,it is of vital importance to guarantee the full functionality of the tunnel network by means of preventive maintenance and the monitoring of the tunnel lining state over time.A new method has been developed for the real-time prediction of the utilization level in tunnel segmental linings based on input monitoring *** new concept is founded on a framework,which encompasses an offline and an online *** the former,the generation of feedforward neural networks is accomplished by employing synthetically produced *** element simulations of the lining structure are conducted to analyze the structural response under multiple loading *** scenarios are generated by assuming ranges of variation of the model input parameters to account for the uncertainty due to the not fully determined in situ *** and target quantities are identified to better assess the structural utilization of the *** latter phase consists in the application of the methodological framework on input monitored data,which allows for a real-time prediction of the physical quantities deployed for the estimation of the lining *** approach is validated on a full-scale test of segmental lining,where the predicted quantities are compared with the actual ***,it is investigated the influence of artificial noise added to the training data on the overall prediction performances and the benefits along with the limits of the concept are set out.

关键词： Segmental lining Artificial neural networks Structural utilization level Real-time prediction Structural health monitoring Monitoring data

Thermal conductivity of glasses: first-principles theory and applications

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npj Computational Materials 2023年第1期9卷 1253-1274页

作者： Michele Simoncelli Francesco Mauri nicola Marzari Theory of Condensed Matter Group of the Cavendish Laboratory University of CambridgeCambridgeUK Dipartimento di Fisica Universitàdi Roma La SapienzaRomaItaly Theory and Simulation of Materials(THEOS)and National Centre for Computational Design and Discovery of Novel Materials(MARVEL) École Polytechnique Fédérale de LausanneLausanneSwitzerland

Predicting the thermal conductivity of glasses from first principles has hitherto been a very complex *** established Allen-Feldman and Green-Kubo approaches employ approximations with limited validity—the former neglects anharmonicity,the latter misses the quantum Bose-Einstein statistics of vibrations—and require atomistic models that are very challenging for first-principles ***,we present a protocol to determine from first principles the thermal conductivityκ(T)of glasses above the plateau(i.e.,above the temperature-independent region appearing almost without exceptions in theκ(T)of all glasses at cryogenic temperatures).The protocol combines the Wigner formulation of thermal transport with convergence-acceleration techniques,and accounts comprehensively for the effects of structural disorder,anharmonicity,and Bose-Einstein *** validate this approach in vitreous silica,showing that models containing less than 200 atoms can already reproduceκ(T)in the macroscopic *** discuss the effects of anharmonicity and the mechanisms determining the trend ofκ(T)at high temperature,reproducing experiments at temperatures where radiative effects remain negligible.

关键词： glasses conductivity harmonic

Tuning of frictional properties in torsional contact by means of disk grading

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Friction 2022年第5期10卷 787-802页

作者： Gianluca COSTAGLIOLA Federico BOSIA nicola M PUGNO Civil Engineering Institute Ecole Polytechmique Federale de LausamneLausanne 1015Switzerland Department ofApplied Science and Technology Politecnico di TorinoCorso Duca degli Abruzzi 24Torino 10129Italy Laboratory for BioinspiredBionicNanoMeta Materials&MechanicsDepartment of CivilEnvironmental and Mechanical EngineeringUniversity of TrentoTrento 38123Italy School of Engineering and Materials Science Queen Mary University of LondonLondon EI 4NSUK

The contact of two surfaces in relative rotating motion occurs in many practical applications,from mechanical devices to human joints,displaying an intriguing interplay of effects at the onset of sliding due to the axisymmetric stress *** and numerical models have been developed for some typical configurations,but work remains to be done to understand how to modify the emergent friction properties in this *** this paper,we extend the two-dimensional(2D)spring-block model to investigate friction between surfaces in torsional *** investigate how the model describes the behavior of an elastic surface slowly rotating over a rigid substrate,comparing results with analytical calculations based on energy *** show that an appropriate grading of the tribological properties of the surface can be used to avoid a non-uniform transition to sliding due to the axisymmetric configuration.

关键词： friction torsion numerical simulations grading