Center Of Motion Research Articles

Understanding solid nitrogen through molecular dynamics simulations with a machine-learning potential

We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of N2. The potential is trained only on high quality quantum chemical molecule-molecule interactions; no condensed phase information is used. Although there are no explicit or implicit many-molecule interaction terms, the potential reproduces the experimental phase diagram including the melt curve and the molecular solid phases of nitrogen up to 10GPa. This demonstrates that many-molecule interactions are unnecessary to explain the condensed phases of N2. With increased pressure, transitions are observed from cubic (α), which optimizes quadrupole-quadrupole interactions, through tetragonal (γ), which allows more efficient packing, to monoclinic (λ), which packs still more efficiently. On heating, we obtain the hcp three-dimensional (3D) rotor phase (β) and, at pressure, the cubic δ phase which contains both 3D and 2D rotors, tetragonal δ* phase with 2D rotors, and the rhombohedral ε. Molecular dynamics demonstrates where these phases are indeed rotors, rather than frustrated order. The model supports the metastability of the complex ι phase, but not the reported existence of the wide range of bond lengths. The thermodynamic transitions involve both shifts of molecular centers and rotations of molecules: the onset of rotation is rapid, whereas motion of molecular centers is inhibited and we suggest that this is the cause of the experimentally observed sluggishness of transitions. Routine density functional theory calculations give a similar picture to the potential. Published by the American Physical Society 2024

Stability analysis of electrorheological (ER) lubricant operated multilobe hydrodynamic journal bearing

Purpose An electrorheological (ER) fluid consists of dielectric particles blended in a nonconducting oil. ER lubricants are often considered smart lubricants. This paper aims to examine the steady state and dynamic response of multilobe journal bearings using an ER lubricant. Design/methodology/approach Reynold’s equation has been used to describe the lubricant flow in the journal-bearing clearance space. The Bingham model is used to characterize the nonlinear behavior of the lubricant. The solution of the Reynolds equation is obtained using the Newton–Raphson method, with gaseous cavitation in the fluid film numerically addressed by applying a mass-conserving algorithm. The effects of lobe geometry and the applied electric field are investigated on film pressure profile, fluid film thickness, direct stiffness and damping parameters. The equation of motion for journal center coordinates is solved using the fourth-order Runge–Kutta method, to predict journal center motion trajectories. Findings Using ER lubricant combined with two-lobe journal bearing significantly improved the minimum film thickness by 49.75%, the direct stiffness parameter by 132.18% and the damping parameter by 206.3%. However, the multilobe configuration was found to negatively impact the frictional powerloss of the bearing system. In the case of multilobe configurations of journal bearings using ER lubricant, linear motion journal trajectories are observed to be reduced and exhibit increased stability. Originality/value This study presents the effect of an ER lubricant and multilobe configuration on the rotor-dynamic performance and stability analysis of hydrodynamic journal bearings. Peer review The peer review history for this article is available at: https://publons.com/publon/10.1108/ILT-06-2024-0201/

Using Satellite Observations of Lightning and Precipitation to Diagnose the Behavior of Deep Convection in Tropical Cyclones Traversing the Midlatitudes

AbstractThis study uses a unique combination of geostationary and low‐Earth orbiting satellite‐based lightning and precipitation observations, respectively, to examine the evolution of deep convection during the tropical cyclone (TC) lifecycle. The study spans the 2018–2021 Atlantic Basin hurricane seasons and is unique as it provides the first known analysis of total lightning (intra‐cloud and cloud‐to‐ground) observed in TCs through their extratropical transition and post‐tropical cyclone (PTC) phases. We consider the TC lifecycle stage, geographic location (e.g., land, coast, and ocean), shear strength, and quadrant relative to the storm motion and environmental shear vectors. Total lightning maxima are found in the forward right quadrant relative to storm motion and downshear of the TC center, consistent with previous studies using mainly cloud‐to‐ground lightning. Increasing environmental shear focuses the lightning maxima to the downshear right quadrant with respect to the shear vector in tropical storm phases. Vertical profiles of radar reflectivity from the Global Precipitation Measurement mission show that super‐electrically active convective precipitation features (>75 flashes) within the PTC phase of TCs have deeper mixed phase depths and higher reflectivity at −10°C than other phases, indicating the presence of more intense convection. Differences in the net convective behavior observed throughout TC evolution manifest in both the TC‐scale frequency of lightning‐producing cells and the intensity variations amongst individual convective cells. The combination of continuous lightning observations and precipitation snapshots improves our understanding of convective‐scale processes in TCs, especially in PTC phases, as they traverse the tropics and mid‐latitudes.

Orbital angular momentum and rotational properties of off-axis vortex beams in two-dimensional media with anisotropic nonlocal nonlinearity.

By introducing anisotropy into nonlinear propagations, off-axis vortex beams exhibit significantly different characteristics compared to the isotropic case. The orbital angular momentum (OAM) is non-conservative and can periodically change between positive and negative values. Accordingly, the rotation of phase singularity can transit between clockwise and counterclockwise directions. Furthermore, the phase singularity can move to infinity when the OAM approaches zero. By using the Ehrenfest theorem, the motion of the beam center is obtained. Its trajectory can be circular and parabolic or follow other complex shapes, depending closely on the anisotropy of the nonlinearity. The rotational velocity of the beam center can be modulated by the nonlinearity anisotropy and can far exceed the initial value during its propagation. These results may find potential applications in beam shaping and optical manipulation.

Nocturnal Extreme Rainfall over the Central Yungui Plateau under Cold and Warm Upper-Level Anomaly Backgrounds during Warm Seasons in 1980–2020

The spatiotemporal and cloud features of the extreme rainfall under the warm and cold upper-level anomalies over the central Yungui Plateau (YGP) were investigated using the hourly rain gauge records, ERA5 reanalysis data, TRMM, and Fengyun satellite data, aiming to refine the understanding of different types of extreme rainfall. Extreme rainfall under an upper-level negative temperature anomaly (cold events) presents stronger convective cloud features when compared with the positive temperature anomaly (warm events). The maximum rainfall intensity and duration in cold events is much larger than that of warm events, while the brightness temperature of the cloud top is lower, and the ratio of convective rainfall is higher. In cold events, the middle-to-upper troposphere is dominated by a cold anomaly, and an unstable configuration with upper (lower) cold (warm) anomalies is observed around the central YGP. Although the upper-level temperature anomaly is positive, the anomalous divergence and convergence of southerly and northerly winds, as well as the strong moisture center and upward motions, are also found over the central YGP in warm events. The stronger atmospheric instability and higher convective energy under the upper-level cold anomalous circulation are closely associated with the rainfall features over the central YGP. The results indicate that the upper tropospheric temperature has significant influences on extreme rainfall, and thus more attention should be paid to the upper tropospheric temperature in future analyses.

Intrinsic squeezing of mechanical motion of a harmonically trapped atom with spin-orbit coupling

In this paper we investigated one-dimensional harmonically trapped atom with Raman-induced spin-orbit coupling by mapping to quantum-like model. Using displacement Fock states in quantum optics and variational methods we found the odd-parity superposition state of left- and right-displaced oscillator state is a good approximate solution to the ground state, which captures the essential physics of the system. The ground state wave function owes nodes which is remarkably different from the conventional no-node theory in quantum mechanics. The results show the atomic motion of center of mass exhibits intrinsic squeezing properties with relation to the Raman and spin-orbit coupling strength characterized by the variance in position and momentum, information entropy, as well as the Wigner function of the ground state. The dynamics of center of mass are also studied which demonstrates intuitive Zitterbewegung oscillations in momentum space and real space. Our results could be used for observing Zitterbewegung oscillations in neutral atomic gases and engineering nonclassic states.

Noniterative DOA Estimation in Time-Modulated Array Under Unidirectional Phase Center Motion

Noniterative DOA Estimation in Time-Modulated Array Under Unidirectional Phase Center Motion

Feynman–Kac equation for Brownian non-Gaussian polymer diffusion

The motion of the polymer center of mass (CM) is driven by two stochastic terms that are Gaussian white noise generated by standard thermal stirring and chain polymerization processes, respectively. It can be described by the Langevin equation and is Brownian non-Gaussian by calculating the kurtosis. We derive the forward Fokker–Planck equation governing the joint distribution of the motion of CM and the chain polymerization process. The backward Fokker–Planck equation governing only the probability density function (PDF) of CM position for a given number of monomers is also derived. We derive the forward and backward Feynman–Kac equations for the functional distribution of the motion of the CM, respectively, and present some of their applications, which are validated by a deep learning method based on backward stochastic differential equations (BSDEs), i.e. the deep BSDE method.

Type synthesis of novel 1R, 2R, 1R1T, and 2R1T hybrid RCM mechanisms based on topological arrangement and modular design method

Remote center motion (RCM) mechanisms play a significant role in minimally invasive surgery (MIS) to provide geometric constraints to the surgical tool motion. To satisfy the rapid diversified development of the surgical robot in various environment, especially in the head coil, MRI room or other enclosed confined space, this paper focuses on the type synthesis of hybrid-RCM mechanisms using the topological arrangement and modular design method (TAMD). Firstly, the concepts of TAMD are proposed systematically for type synthesis of general hybrid mechanisms. Secondly, TAMD is applied towards the type synthesis of RCM mechanisms to generate their topological arrangement and motion characteristic relationships. Thirdly, main module and secondary modules are designed for RCM mechanisms of four different motions (i.e., 1R, 2R, 1R1T, and 2R1T) based on the proposed topological arrangement. Numerous novel 1R, 2R, 1R1T, and 2R1T RCM mechanisms are then proposed by assembling these main and secondary modules. Finally, one typical case for each motion of RCM mechanisms is taken as an example to validate its motion capability.

Structure-preserving algorithms for guiding center dynamics based on the slow manifold of classical Pauli particle

The classical Pauli particle (CPP) serves as a slow manifold, substituting the conventional guiding center dynamics. Based on the CPP, we utilize the averaged vector field (AVF) method in the computations of drift orbits. Demonstrating significantly higher efficiency, this advanced method is capable of accomplishing the simulation in less than one-third of the time of directly computing the guiding center motion. In contrast to the CPP-based Boris algorithm, this approach inherits the advantages of the AVF method, yielding stable trajectories even achieved with a tenfold time step and reducing the energy error by two orders of magnitude. By comparing these two CPP algorithms with the traditional RK4 method, the numerical results indicate a remarkable performance in terms of both the computational efficiency and error elimination. Moreover, we verify the properties of slow manifold integrators and successfully observe the bounce on both sides of the limiting slow manifold with deliberately chosen perturbed initial conditions. To evaluate the practical value of the methods, we conduct simulations in non-axisymmetric perturbation magnetic fields as part of the experiments, demonstrating that our CPP-based AVF method can handle simulations under complex magnetic field configurations with high accuracy, which the CPP-based Boris algorithm lacks. Through numerical experiments, we demonstrate that the CPP can replace guiding center dynamics in using energy-preserving algorithms for computations, providing a new, efficient, as well as stable approach for applying structure-preserving algorithms in plasma simulations.

Extreme magnetoresistance at high-mobility oxide heterointerfaces with dynamic defect tunability

Magnetic field-induced changes in the electrical resistance of materials reveal insights into the fundamental properties governing their electronic and magnetic behavior. Various classes of magnetoresistance have been realized, including giant, colossal, and extraordinary magnetoresistance, each with distinct physical origins. In recent years, extreme magnetoresistance (XMR) has been observed in topological and non-topological materials displaying a non-saturating magnetoresistance reaching 103−108% in magnetic fields up to 60 T. XMR is often intimately linked to a gapless band structure with steep bands and charge compensation. Here, we show that a linear XMR of 80,000% at 15 T and 2 K emerges at the high-mobility interface between the large band-gap oxides γ-Al2O3 and SrTiO3. Despite the chemically and electronically very dissimilar environment, the temperature/field phase diagrams of γ-Al2O3/SrTiO3 bear a striking resemblance to XMR semimetals. By comparing magnetotransport, microscopic current imaging, and momentum-resolved band structures, we conclude that the XMR in γ-Al2O3/SrTiO3 is not strongly linked to the band structure, but arises from weak disorder enforcing a squeezed guiding center motion of electrons. We also present a dynamic XMR self-enhancement through an autonomous redistribution of quasi-mobile oxygen vacancies. Our findings shed new light on XMR and introduce tunability using dynamic defect engineering.

Physics origin of the parallel drift and the effective parallel magnetic field of a guiding center in curved magnetic fields

We study the physical origins of parallel guiding center drift and parallel velocity-dependent effective magnetic field (B‖*) appearing in the Hamiltonian formulation of a particle motion in a curved magnetic field. The magnetic twist term is shown to be responsible for both of them. The parallel guiding center drift originates from the change in the effective parallel velocity due to the combined effect of the initial perpendicular motion (v⊥0) and the magnetic twist. The effective magnetic field arises from the collated effect of the change in v⊥0 due to its initial parallel guiding center motion and the conservation of magnetic moment. This understanding clearly shows that the appearance of B‖* is a consequence of magnetic moment conservation in curved magnetic fields.

Development of a flexible endoscopic robot with autonomous tracking control ability using machine vision and deep learning

Abstract. A flexible endoscopic robot is designed to solve the problem that it is difficult for auxiliary doctors to maintain a stable visual field in traditional endoscopic surgery. Based on geometric derivation, a motion control method under the constraint of the remote center motion (RCM) of the robot system is established, and a set of circular trajectories are planned for it. The RCM error of the robot during operation and the actual trajectory of the robot end in three-dimensional space are obtained through the motion capture system. The end of the robot is controlled by the heterogeneous primary–secondary teleoperation control algorithm based on position increments. Finally, the RTMDet deep learning object detection algorithm was selected to identify and locate surgical instruments through comparative experiments, and the autonomous tracking control was completed based on visual guidance. In the process of autonomous tracking, the RCM error was less than 1 mm, which met the actual surgical requirements.

Collisions of Light Bullets with Different Circular Polarizations

Collisions of left- and right-polarized spatiotemporal optical solitons have been numerically simulated for a locally isotropic focusing Kerr medium with anomalous chromatic dispersion. The stable propagation of such “light bullets” in a moderate nonlinear regime is ensured by a transverse parabolic profile of the refraction index in a multimode waveguide. The transverse motion of centers of mass of wave packets in such systems occurs on classical trajectories of a harmonic oscillator, whereas the motion in the longitudinal direction is uniform. Therefore, collisions of two solitons can be not only head-on but also tangential. An inelastic collision of two solitons with opposite circular polarizations can result either in two binary light bullets combining the left and right polarization or in more complex bound systems.

Diagonalizing the Born-Oppenheimer Hamiltonian via Moyal perturbation theory, nonadiabatic corrections, and translational degrees of freedom.

This article describes a method for calculating higher order or nonadiabatic corrections in Born-Oppenheimer theory and its interaction with the translational degrees of freedom. The method uses the Wigner-Weyl correspondence to map nuclear operators into functions on the classical phase space and the Moyal star product to represent operator multiplication on those functions. These are explained in the body of the paper. The result is a power series in κ2, where κ = (m/M)1/4 is the usual Born-Oppenheimer parameter. The lowest order term is the usual Born-Oppenheimer approximation, while higher order terms are nonadiabatic corrections. These are needed in calculations of electronic currents, momenta, and densities. The separation of nuclear and electronic degrees of freedom takes place in the context of the exact symmetries (for an isolated molecule) of translations and rotations, and these, especially translations, are explicitly incorporated into our discussion. This article presents an independent derivation of the Moyal expansion in molecular Born-Oppenheimer theory. We show how electronic currents and momenta can be calculated within the framework of Moyal perturbation theory; we derive the transformation laws of the electronic Hamiltonian, the electronic eigenstates, and the derivative couplings under translations; we discuss in detail the rectilinear motion of the molecular center of mass in the Born-Oppenheimer representation; and we show how the elimination of the translational components of the derivative couplings leads to a unitary transformation that has the effect of exactly separating the translational degrees of freedom.

An in-depth examination of flow structures organization downstream of a delta-winglet pair vortex generator under laminar, transitional, and turbulent flow regimes

In the present study, we experimentally investigate the time-averaged and time-evolving flow structures generated downstream of a delta-winglet pair vortex generator in an airflow channel. The Stereoscopic Particle Image Velocimetry technique is used to measure the velocity fields in the cross-sectional planes at various axial positions along the channel. The analysis of time-averaged flow topology shows that the flow is predominantly composed of two main counter-rotating longitudinal vortices under laminar, transitional, and turbulent regimes. While the time-averaged flow behavior might appear simple, the real-time organization of the instantaneous flow structures presents more complex features. The study of the flow's temporal evolution indicates that the transition from laminar to turbulent regime is controlled by a meandering mechanism referred to the motion of the main vortex centers around their axis and the emergence of secondary structures that evolve periodically over time.

Assessment of the sacroiliac joint with computed tomography motion analysis: a diagnostic study of 12 patients.

Pain in the sacroiliac joint may be caused by abnormal joint motion. Diagnosis is mainly based on clinical tests. The aims of this study were to examine whether low-dose computed tomography with provocation of the hip could detect sacroiliac joint motion, and to study whether provocation of the hip results in greater sacroiliac joint motion in the ipsilateral than in the contralateral sacroiliac joint. 12 patients with sacroiliac joint pain were examined with low-dose computed tomography scans of the sacroiliac joint, one with the hips in the neutral position, and one each in provocation with the left or the right hip in a figure-of-4 position. Accuracy was tested by comparing internal rotation of the sacrum with internal rotation in the sacroiliac joint. Motion in the sacroiliac joint was assessed by comparing the position of each of the ilia with the reference, the sacrum. Data is shown as mean with 95% confidence interval (CI). We observed greater motion in the sacroiliac joint than internally in the sacrum, i.e., 0.57° (CI 0.43-0.71) vs. 0.20° (CI 0.11-0.28). The motion of the geometric center of the moving object for the sacroiliac joint was larger on the provoked side; mean difference 0.17 mm (CI 0.01-0.33), P = 0.04. Corresponding figures for rotation were mean difference 0.19° (CI 0.10-0.28), P < 0.001. Compared with the sacrum, the largest motion was seen at the anterior superior iliac spine; mean difference 0.38 mm (CI 0.10-0.66), P = 0.001. Provocation in the figure-of-4 position of the hip results in sacroiliac joint motion measurable with computed tomography motion analysis. Provocation of the hip induces larger motion on the ipsilateral than on the contralateral sacroiliac joint.

An extended Hasegawa–Mima equation for nonlinear drift wave turbulence in general magnetic configurations

We propose an extended Hasegawa–Mima equation describing the evolution of nonlinear drift wave turbulence in general magnetic configurations. Such HMGM equation can be derived within the kinetic framework of guiding center motion or from a two-fluid model of an ion-electron plasma by application of a drift wave turbulence ordering that does not involve conditions on spatial derivatives of magnetic field and plasma density. The HMGM equation is therefore appropriate to describe the evolution of drift wave turbulence in strongly inhomogeneous magnetized plasmas, such as magnetospheric and stellarator plasmas, involving complex magnetic field geometries and non-uniform plasma density distributions. We find conservation laws (mass, energy, and generalized enstrophy) of the HMGM equation, study its algebraic (Hamiltonian) structure, and prove a nonlinear stability criterion for steady solutions through the energy-Casimir method. We then apply these results to describe drift waves and infer the existence of stable toroidal zonal flows with radial shear in dipole magnetic fields.

Guiding centre motion for particles in a ponderomotive magnetostatic end plug

The Hamiltonian dynamics of a single particle in a rotating plasma column, interacting with an magnetic multipole is perturbatively solved for up to second order, using the method of Lie transformations. First, the exact Hamiltonian is expressed in terms of canonical action-angle variables, and then an approximate integrable Hamiltonian is introduced, using another set of actions and angles, which describe the centre of oscillation for the particle. The perturbation introduces an effective ponderomotive potential, which to leading order is positive. At the second order, the pseudopotential consists of a sum of terms of the Miller form, and can have either sign. Additionally, at second order, the ponderomotive interaction introduces a modification to the particle effective mass, when considering the motion along the column axis. It is found that particles can be axially confined by the ponderomotive potentials, but acquire radial excursions which scale as the confining potential. The radial excursions of the particle along its trajectory are investigated, and a condition for the minimal rotation frequency for which the particle remains radially confined is derived. Last, we comment on the changes to the aforementioned solution to the pseudopotentials and particle trajectory in the case of resonant motion, that is, a motion which has the same periodicity as the perturbation.

Explicit K-symplectic-like algorithms for guiding center system

In this paper, for the guiding center system, we propose a type of explicit K-symplectic-like methods by extending the original guiding center phase space and constructing new augmented Hamiltonians. The original guiding center phase space is extended by making several copies in order to make the guiding center Hamiltonian separable to variables. In the extended phase space, the augmented guiding center Hamiltonian can be numerically solved by a K-symplectic method through the splitting technique and the composition of some simpler subsystems. Meanwhile, a midpoint permutation constraint is imposed on the extended phase space. Numerical experiments are carried out for guiding center motions in different magnetic fields using different numerical methods, including K-symplectic-like algorithms, canonical symplectic algorithms, and higher order implicit Runge-Kutta methods. Results show that energy errors of K-symplectic-like methods are bounded within small intervals over a long time, defeating higher order implicit Runge-Kutta methods. For comparison, explicit K-symplectic-like methods exhibit higher computational efficiency than existing canonicalized symplectic methods of the same order. We also verify that permutation constraints are important for the numerical properties of explicit K-symplectic methods. Among them, the method with the midpoint permutation constraint behaves better in long-term energy conservation and the elimination of secular drift errors than the same method without any permutation. The permutation that imposes a constraint on the Hamiltonian behaves best in energy preservation.