Abstract This paper presents a new nonlinear non‐intrusive reduced‐order model (NL‐NIROM) that outperforms traditional proper orthogonal decomposition (POD)‐based reduced order (ROM). improvement is achieved through the use of auto‐encoder (AE) and self‐attention based deep learning methods. The novelty this work it uses stacked (SAE) network to project original high‐dimensional dynamical systems onto low dimensional subspace predict fluid dynamics using an method. introduces reduction...

The unique features of axial, torsional, transverse and radial breathing vibrations are captured for armchair zigzag singlewalled boron nitride nanotubes (BNNTs) based on molecular mechanics simulations continuum theories. Equivalent Young's modulus 1 TPa shear 0.4 obtained independent the chirality BNNTs. In particular, a distorted optimized structure is observed first time BNNTs with sufficiently large diameter length. It found that deformed structures result in behaviours deviating from...

This paper describes the equivalent homogeneous uniaxial mechanical properties of defective single-wall carbon nanotubes. In particular, non-reconstructed defects that can be produced by ion or electronic irradiation have been considered. A discrete nonlinear finite-element approach based on individual carbon–carbon (C–C) bonds has used. The C–C in turn were simulated as beam structural elements. Extensive Monte Carlo numerical simulation reported paper. results show elastic nanotubes...

The size scale effect on the pyroelectric properties is studied for gallium nitride (GaN) nanowires (NWs) based molecular dynamics simulations and theoretical analysis. Due to significant influence of surface thermoelasticity piezoelectricity at nanoscale, coefficient GaN NWs found depend cross-sectional size. This size-dependent together with dielectric constant reported in our previous study employed potential subjected heating. results show that thin (cross-sectional nanometers) may raise...

A three-dimensional (3D) transverse vibration was reported based on the molecular structural mechanics model for microtubules (MTs), where bending axis of cross section rotates in an anticlockwise direction and adjacent half-waves oscillate different planes. Herein, efforts were invested to capturing physics behind observed phenomenon identifying important factors that influence rotation angle between two half waves. close correlation confirmed oscillation planes helical structures MTs,...

An electric field (EF) has the potential to excite vibration of polarized microtubules (MTs) and thus enable their use as a biosensor for biophysical properties MTs or cells. To facilitate development, this paper aims capture EF-induced modes associated frequency MTs. The analyses were carried out based on molecular structural mechanics model accounting details Transverse vibration, radial breathing axial achieved subject transverse an EF. shift stiffness alteration also examined due...

Exploring new reverse osmosis (RO) membranes that break the permeability-selectivity trade-off rule is ultimate goal in seawater desalination. Both nanoporous monolayer graphene (NPG) and carbon nanotube (CNT) channels have been proposed to be promising candidates for this purpose. From perspective of membrane thickness, both NPG CNT can classified into same category, as equivalent thinnest CNT. While has advantage a high water flux rate excellent at salt rejection performance, transition...

Gallium nitride (GaN) nanowires (NWs) hold technological significance as functional components in emergent nano-piezotronics. However, the examination of their mechanical responses, especially mechanistic understanding behavior beyond elasticity (at failure) remains limited due to constraints situ experimentation. We therefore performed simulations molecular dynamics (MD) -oriented GaN NWs subjected tension or compression loading until failure. The properties and critical deformation...

Twisted van der Waals heterostructures were recently found to possess unique physical properties, such as superconductivity in magic angle bilayer graphene. Owing the nonhomogeneous stacking, energy of twisted are often higher than their AA or AB stacking counterpart, therefore, fabricating structures remains a great challenge experiments. On other hand, one dimensional (1D) coaxial has less freedom undergo phase transition, thus offer opportunity for 1D cousin In this work, we show by...

A molecular structural mechanics (MSM) model was developed for F-actins in cells, where the force constants describing monomer interaction were achieved using dynamics simulations. The MSM then employed to predict mechanical properties of F-actin. obtained Young's modulus (1.92 GPa), torsional rigidity (2.36 × 10–26 Nm2), and flexural (10.84 Nm2) found be good agreement with existing experimental data. Subsequently, tension-induced bending studied as a result their helical structure....

Phenine nanotubes (PNTs) have recently been synthesized as a promising new one-dimensional material for high-performance electronics. The periodically distributed vacancy defects in PNTs result novel semiconducting properties, but may also compromise their mechanical properties. However, the role of these modifying structural and properties is not yet well understood. To address this, we conducted systematic molecular dynamics simulations investigating evolution responses under various...

This letter aims to study the electromechanical vibration of microtubules submerged in cytosol. The microtubule-cytosol interface is established molecular dynamics simulations, and electrically excited vibrations cytosol are studied based on a mechanics model. simulations show that solid-liquid with nanoscale gap significantly reduces viscous damping microtubule vibration. Specifically, as far radial breathing modes concerned, behaves nearly rigid body thus has very small effect mode...

A hybrid nanowire (HNW) was constructed by coating a single-wall carbon nanotube (SWCNT) with piezoelectric zinc oxide (ZnO). The two components of the HNW interact each other via van der Waals (vdW) force. This paper aims to study effect piezoelectricity in ZnO layer and inter-phase vdW interaction on fundamental vibration HNWs. In doing this, new model developed where HNWs were modeled as Euler beams coupled interphase interaction. Based model, dependence frequency an applied electrical...

The quantum eraser effect exemplifies the distinct properties of mechanics that challenge classical intuition and expose wave-particle duality light. This has been extensively explored in various experiments; most these investigations use polarisation to distinguish which path information, less attention paid phase structure is related wavefront photon. In this study, we introduce a theoretical framework for erasure focusses on demonstrate it experimentally. experiment, employ Mach-Zehnder...