arXiv subjects

Nicola Manini

Publications and source records attributed to Nicola Manini.

At least 37 records · Page 2Linked to original sources

arXiv2015

Subharmonic Shapiro steps of sliding colloidal monolayers in optical lattices

We investigate theoretically the possibility to observe dynamical mode locking, in the form of Shapiro steps, when a time-periodic potential or force modulation is applied to a two-dimensional (2D) lattice of colloidal particles that are dragged by an external force over an optically generated periodic potential. Here we present realistic molecular dynamics simulations of a 2D experimental setup, where the colloid sliding is realized through the motion of soliton lines between locally commensurate patches or domains, and where the Shapiro steps are predicted and analyzed. Interestingly, the jump between one step and the next is seen to correspond to a fixed number of colloids jumping from one patch to the next, across the soliton line boundary, during each AC cycle. In addition to ordinary "integer" steps, coinciding here with the synchronous rigid advancement of the whole colloid monolayer, our main prediction is the existence of additional smaller "subharmonic" steps due to localized solitonic regions of incommensurate layers executing synchronized slips, while the majority of the colloids remains pinned to a potential minimum. The current availability and wide parameter tunability of colloid monolayers makes these predictions potentially easy to access in an experimentally rich 2D geometrical configuration.

cond-mat.mes-hall↗

arXiv2015

Superlubric-Pinned Transition in Sliding Incommensurate Colloidal Monolayers

Two-dimensional (2D) crystalline colloidal monolayers sliding over a laser-induced optical lattice recently emerged as a new tool for the study of friction between ideal crystal surfaces. Here we focus in particular on static friction, the minimal sliding force necessary to depin one lattice from the other. If the colloid and the optical lattices are mutually commensurate, the colloid sliding is always pinned by static friction; but when they are incommensurate the presence or absence of pinning can be expected to depend upon the system parameters. If a 2D analogy to the mathematically established Aubry transition of one-dimensional systems were to hold, an increasing periodic corrugation strength $U_0$ should turn an initially free-sliding monolayer into a pinned state through a well-defined dynamical phase transition. We address this problem by the simulated sliding of a realistic model 2D colloidal lattice, confirming the existence of a clear and sharp superlubric-pinned transition for increasing corrugation strength. Unlike the 1D Aubry transition which is continuous, the 2D transition exhibits a definite first-order character. With no change of symmetry, the transition entails a structural character, with a sudden increase of the colloid-colloid interaction energy, accompanied by a compensating downward jump of the colloid-corrugation energy. The transition value for the corrugation amplitude $U_0$ depends upon the misalignment angle $θ$ between the optical and the colloidal lattices, superlubricity surviving until larger corrugations for angles away from the energetically favored orientation, which is itself generally slightly misaligned, as shown in recent work. The observability of the superlubric-pinned colloid transition is proposed and discussed.

cond-mat.mes-hall↗

arXiv2015

Friction Boosted by Equilibrium Misalignment of Incommensurate Two-Dimensional Colloid Monolayers

Colloidal 2D monolayers sliding in an optical lattice are of recent importance as a frictional system. In the general case when the monolayer and optical lattices are incommensurate, we predict two important novelties, one in the static equilibrium structure, the other in the frictional behavior under sliding. Structurally, realistic simulations show that the colloid layer should possess in full equilibrium a small misalignment rotation angle relative to the optical lattice, an effect so far unnoticed but visible in some published experimental moiré patterns. Under sliding, this misalignment has the effect of boosting the colloid monolayer friction by a considerable factor over the hypothetical aligned case discussed so far. A frictional increase of similar origin must generally affect other incommensurate adsorbed monolayers and contacts, to be sought out case by case.

cond-mat.mes-hall↗

arXiv2014

Low-energy unphysical saddle in polynomial molecular potentials

Vibrational spectra of polyatomic molecules are often obtained from a polynomial expansion of the adiabatic potential around a minimum. For several molecules, we show that such an approximation displays an unphysical saddle point of comparatively small energy, leading to a region where the potential is negative and unbounded. This poses an upper limit for a reliable evaluation of vibrational levels. We argue that the presence of such saddle points is general.

physics.chem-ph↗

arXiv2013

Influence of substrate potential shape on the dynamics of a sliding lubricant chain

We investigate the frictional sliding of an incommensurate chain of interacting particles confined in between two nonlinear on-site substrate potential profiles in relative motion. We focus here on the class of Remoissenet-Peyrard parametrized potentials $V_{\rm RP}(x,s)$, whose shape can be varied continuously as a function of $s$, recovering the sine-Gordon potential as particular case. The observed frictional dynamics of the system, crucially dependent on the mutual ratios of the three periodicities in the sandwich geometry, turns out to be significantly influenced also by the shape of the substrate potential. Specifically, variations of the shape parameter $s$ affects significantly and not trivially the existence and robustness of the recently reported velocity quantization phenomena [Vanossi {\it et al.}, Phys. Rev. Lett. 97, 056101 (2006)], where the chain center-of-mass velocity to the externally imposed relative velocity of the sliders stays pinned to exact "plateau" values for wide ranges of the dynamical parameters.

cond-mat.other↗

arXiv2013

Modeling friction: From nanoscale to mesoscale

The physics of sliding friction is gaining impulse from nanoscale and mesoscale experiments, simulations, and theoretical modeling. This Colloquium reviews some recent developments in modeling and in atomistic simulation of friction, covering open-ended directions, unconventional nanofrictional systems, and unsolved problems.

cond-mat.mes-hall↗

arXiv2013

Size scaling of static friction

Sliding friction across a thin soft lubricant film typically occurs by stick-slip, the lubricant fully solidifying at stick, yielding and flowing at slip. The static friction force per unit area preceding slip is known from molecular dynamics (MD) simulations to decrease with increasing contact area. That makes the large-size fate of stick-slip unclear and unknown; its possible vanishing is important as it would herald smooth sliding with a dramatic drop of kinetic friction at large size. Here we formulate a scaling law of the static friction force, which for a soft lubricant is predicted to decrease as f_m + Δf /A^gamma for increasing contact area A, with gamma>0. Our main finding is that the value of f_m, controlling the survival of stick-slip at large size, can be evaluated by simulations of comparably small size. MD simulations of soft lubricant sliding are presented, which verify this theory.

cond-mat.soft↗

arXiv2012

Mechanical properties of carbynes investigated by ab initio total-energy calculations

As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab-initio total-energy simulations. In particular, we evaluate their linear response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation.

cond-mat.mes-hall↗

arXiv2012

Static and dynamic friction in sliding colloidal monolayers

In a pioneer experiment, Bohlein et al. realized the controlled sliding of two-dimensional colloidal crystals over laser-generated periodic or quasi-periodic potentials. Here we present realistic simulations and arguments which besides reproducing the main experimentally observed features, give a first theoretical demonstration of the potential impact of colloid sliding in nanotribology. The free motion of solitons and antisolitons in the sliding of hard incommensurate crystals is contrasted with the soliton-antisoliton pair nucleation at the large static friction threshold Fs when the two lattices are commensurate and pinned. The frictional work directly extracted from particles' velocities can be analysed as a function of classic tribological parameters, including speed, spacing and amplitude of the periodic potential (representing respectively the mismatch of the sliding interface, and the corrugation, or "load"). These and other features suggestive of further experiments and insights promote colloid sliding to a novel friction study instrument.

cond-mat.mes-hall↗

arXiv2012

Orthorhombic fulleride (CH3NH2)K3C60 close to Mott-Hubbard instability: Ab initio study

We study the electronic structure and magnetic interactions in methylamine-intercalated orthorhombic alkali-doped fullerene (CH3NH2)K3C60 within the density functional theory. As in the simpler ammonia intercalated compound (NH3)K3C60, the orthorhombic crystal-field anisotropy Δlifts the t1u triple degeneracy at the Γpoint and drives the system deep into the Mott-insulating phase. However, the computed Δand conduction electron bandwidth W cannot alone account for the abnormally low experimental Néel temperature, T_N = 11 K of the methylamine compound, compared to the much higher value T_N = 40 K of the ammonia one. Significant interactions between CH3NH2 and C60^{3-} are responsible for the stabilization of particular pseudo-Jahn-Teller fullerene-cage distortions and the ensuing low-spin S = 1/2 state. These interactions also seem to affect the magnetic properties, as interfullerene exchange interactions depend on the relative orientation of pseudo-Jahn-Teller distortions of neighboring C60^{3-} molecules. For the ferro-orientational order of CH3NH2-K^+ groups we find an apparent reduced dimensionality in magnetic exchange interactions, which may explain the suppressed Néel temperature. The disorder in exchange interactions caused by orientational disorder of CH3NH2-K^+ groups could further contribute to this suppression.

cond-mat.str-el↗

arXiv2011

Vibrational characterization of dinaphthylpolyynes: A model system for the study of end-capped sp carbon chains

We perform a systematic investigation of the resonance and vibrational properties of naphthyl-terminated sp carbon chains (dinaphthylpolyynes) by combined multi-wavelength resonant Raman (MWRR) spectroscopy, ultraviolet-visible spectroscopy, and Fourier-transform infrared (FT-IR) spectroscopy, plus ab initio density functional theory (DFT) calculations. We show that the MWWR and FT-IR spectroscopies are particularly suited to identify chains of different lengths and different terminations, respectively. By DFT calculations, we further extend those findings to sp carbon chains end-capped by other organic structures. The present analysis shows that combined MWRR and FT-IR provide a powerful tool to draw a complete picture of chemically stabilized sp carbon chains.

physics.chem-ph↗

arXiv2011

Carbon sp chains in graphene nanoholes

Nowadays sp carbon chains terminated by graphene or graphitic-like carbon are synthesized routinely in several nanotech labs. We propose an ab-initio study of such carbon-only materials, by computing their structure and stability, as well as their electronic, vibrational and magnetic properties. We adopt a fair compromise of microscopic realism with a certain level of idealization in the model configurations, and predict a number of properties susceptible to comparison with experiment.

cond-mat.mes-hall↗

arXiv2011

Crossover from adiabatic to antiadiabatic quantum pumping with dissipation

Quantum pumping, in its different forms, is attracting attention from different fields, from fundamental quantum mechanics, to nanotechnology, to superconductivity. We investigate the crossover of quantum pumping from the adiabatic to the anti-adiabatic regime in the presence of dissipation, and find general and explicit analytical expressions for the pumped current in a minimal model describing a system with the topology of a ring forced by a periodic modulation of frequency omega. The solution allows following in a transparent way the evolution of pumped DC current from much smaller to much larger omega values than the other relevant energy scale, the energy splitting introduced by the modulation. We find and characterize a temperature-dependent optimal value of the frequency for which the pumped current is maximal.

quant-ph↗

arXiv2011

Crystalline misfit-angle implications for solid sliding

For the contact of two finite portions of interacting rigid crystalline surfaces, we compute the dependence of the pinning energy barrier on the misfit angle and contact area. The resulting data are used to investigate the distribution of static frictional thresholds for a contact of polycrystal surfaces, as occurs at the touching points of dry or even lubricated friction. The simplicity of the model allows us to investigate a broad contact-size and angular range, thus obtaining the statistical properties of the energy barriers opposing sliding for a single asperity. These statistical properties are used as the input of a master-equation model to predict the sliding properties of two macroscopic surfaces in contact. The model is consistent with the well-established result that low temperature should generally favor stick-slip motion, while at high temperature sliding should be smooth.

cond-mat.stat-mech↗

arXiv2010

Dependence of boundary lubrication on the misfit angle between the sliding surfaces

Using molecular dynamics based on Langevin equations with a coordinate- and velocity-dependent damping coefficient, we study the frictional properties of a thin layer of "soft" lubricant (where the interaction within the lubricant is weaker than the lubricant-substrate interaction) confined between two solids. At low driving velocities the system demonstrates stick-slip motion. The lubricant may or may not be melted during sliding, thus exhibiting either the "liquid sliding" (LS) or the "layer over layer sliding" (LoLS) regimes. The LoLS regime mainly operates at low sliding velocities. We investigate the dependence of friction properties on the misfit angle between the sliding surfaces and calculate the distribution of static frictional thresholds for a contact of polycrystalline surfaces.

cond-mat.stat-mech↗

arXiv2010

Synthesis, Characterization, and Modeling of Naphthyl-Terminated sp Carbon Chains: Dinaphthylpolyynes

We report a combined study on the synthesis, spectroscopic characterization and theoretical modelling of a series of α,ω-dinaphthylpolyynes. We synthesized this family of naphtyl-terminated sp carbon chains by reacting diiodoacetylene and 1-ethynylnaphthalene under the Cadiot-Chodkiewicz reaction conditions. By means of liquid chromatography (HPLC), we separated the products and recorded their electronic absorption spectra, which enabled us to identify the complete series of dinaphthylpolyynes Ar-C2n-Ar (with Ar = naphthyl group and n = number of acetilenic units) with n ranging from 2 to 6. The longest wavelength transition (LWT) in the electronic spectra of the dinaphthylpolyynes red shifts linearly with n away from the LWT of the bare termination. This result is also supported by DFT-LDA simulations. Finally, we probed the stability of the dinaphthylpolyynes in a solid-state precipitate by Fourier-transform infrared spectroscopy and by differential scanning calorimetry (DSC).

physics.chem-ph↗

arXiv2010

AFM Dissipation Topography of Soliton Superstructures in Adsorbed Overlayers

In the atomic force microscope, the nanoscale force topography of even complex surface superstructures is extracted by the changing vibration frequency of a scanning tip. An alternative dissipation topography with similar or even better contrast has been demonstrated recently by mapping the (x,y)-dependent tip damping but the detailed damping mechanism is still unknown. Here we identify two different tip dissipation mechanisms: local mechanical softness and hysteresis. Motivated by recent data, we describe both of them in a onedimensional model of Moire' superstructures of incommensurate overlayers. Local softness at "soliton" defects yields a dissipation contrast that can be much larger than the corresponding density or corrugation contrast. At realistically low vibration frequencies, however, a much stronger and more effective dissipation is caused by the tip-induced nonlinear jumping of the soliton, naturally developing bistability and hysteresis. Signatures of this mechanism are proposed for experimental identification.

cond-mat.mes-hall↗

arXiv2010

Vibrational properties of sp carbon atomic wires in cluster-assembled carbon films

Linear chains made by a single row of sp-hybridized carbon are predicted to display fascinating mechano-electronic properties connected with their termination and stabilization inside realistic carbon structures. The present work describes how the computed vibrational properties of cumulenic and polyynic carbon chains allow one to interpret the carbynic features observed in Raman spectra of cluster-assembled sp-sp2 films. The overall picture is consistent with the measured decay of the sp components induced by air or oxygen exposure.

cond-mat.mes-hall↗