Bulk reconstruction and Bogoliubov transformations in AdS2

In the bulk reconstruction program, one constructs boundary representations of bulk fields. We investigate the relation between the global/Poincare and AdS-Rindler representations for AdS2. We obtain the AdS-Rindler smearing function for massive and massless fields and show that the global and AdS-Rindler boundary representations are related by conformal transformations. We also use the boundary representations of creation and annihilation operators to compute the Bogoliubov transformation relating global modes to AdS-Rindler modes for both massive and massless particles.

Welding distortion generated uncertainties in the vibrational behavior of a ladder-like structure

Recent developments in acoustic simulation methods allowed engineers to assess the vibroacoustic behavior of various type of structures within a virtual environment, thus allowing the replacement of prototype-based development with simulations. However, there are some factors, that cannot be considered in simulations in advance. In the present study, the effect of the distortions generated due to welding on a ladder-like structure equipped with flat plates was investigated. The measured acceleration frequency response functions were compared to finite element simulation results. The measured responses differed significantly from the simulation, even in the low frequency range, where the global modes were not expected to be altered or vanished. Investigation of the simulated results revealed that the additional modes were related to the vibration of the plates, which were assumed to be flat, instead of considering the warping caused by the welding process. After measuring the approximate deformation of the plates, an updated simulation model was made, introducing an approximate curvature in them. The results obtained with the updated simulation model performed much better in the low frequency range as well as in the third octave-averaged frequency bands up 1200 Hz. The sensitivity of the warping was also systematically evaluated.

Global modes for the reduction of flexible multibody systems

Modeling a flexible multibody system employing the floating frame of reference formulation (FFRF) requires significant computational resources when the flexible components are represented through finite elements. Reducing the complexity of the governing equations of motion through component-level reduced-order models (ROM) can be an effective strategy. Usually, the assumed field of deformation is created considering local modes, such as normal, static, or attachment modes, obtained from a single component. A different approach has been proposed in Cammarata (J. Sound Vibr. 489, 115668, 2020) for planar systems only and involves a reduction based on global flexible modes of the whole mechanism. Through the use of global modes, i.e., obtained from an eigenvalue analysis performed on the linearized dynamic system around a certain configuration, it is possible to obtain a modal basis for the flexible coordinates of the multibody system. Here, the same method is extended to spatial mechanisms to verify its applicability and reliability. It is demonstrated that global modes can be used to create ROM both at the system and component levels. Studies on the complexity of the method reveal this approach can significantly reduce the calculation times and the computational effort compared to the unreduced model. Unlike the planar case, the numerical experiments reveal that the system-level approach based on global modes can suffer from slow convergence speed and low accuracy in results.

ClustENMD: Efficient sampling of biomolecular conformational space at atomic resolution

SummaryEfficient sampling of conformational space is essential for elucidating functional/allosteric mechanisms of proteins and generating ensembles of conformers for docking applications. However, unbiased sampling is still a challenge especially for highly flexible and/or large systems. To address this challenge, we describe the new implementation of our computationally efficient algorithm ClustENMD that is integrated with ProDy and OpenMM softwares. This hybrid method performs iterative cycles of conformer generation using elastic network model (ENM) for deformations along global modes, followed by clustering and short molecular dynamics (MD) simulations. ProDy framework enables full automation and analysis of generated conformers and visualization of their distributions in the essential subspace.Availability and implementationClustENMD is open-source and freely available under MIT License from https://github.com/prody/[email protected] or [email protected] informationSupplementary materials comprise method details, figures, table and tutorial.