Structural Dynamic Approach Research Articles

Electricity consumption forecasting in Brazil: A structural Bayesian dynamic approach

ABSTRACT The main aim of this paper is to project electricity consumption for the five Brazilian regions using the Bayesian Structural Time-series (BSTS) which presents the best prediction evaluated within the sample. This methodology estimates fourteen models, each with a different specification in terms of its functional form, which ensures flexibility and can vary in terms of levels, trends, and treatment of seasonal fluctuations, as well as dealing with different hypotheses on regression errors or disturbances. The forecast validation criteria calculated for a 24-month horizon showed very satisfactory results. The findings corroborated expectations regarding the suitability of this methodology for drawing up projections. In every case, the forecasting error was 5% or less, which is the reference figure for distribution utilities. In the Center-West, Southeast and South regions, this indicator fell below 3%. The model thus appears to be a robust tool for utilities to project electricity demands.

Targeting MDM2-p53 interaction in Glioblastoma: Transcriptomic analysis and Peptide-Based inhibition strategy

MDM2 is a gene that encodes a protein involved in cell survival, growth, and DNA repair. It has been implicated in the development and progression of glioblastoma (GBM). Inhibition of the MDM2-p53 interaction has emerged as a promising strategy for treating GBM. In this study, we performed comprehensive transcriptomic expression analysis from diverse datasets and observed MDM2 overexpression in a subset of GBM cases. MDM2 negatively regulates the major onco-suppressor p53. The interaction between MDM2 and p53 is a promising target for cancer therapy, as it can trigger p53-mediated cell death in response to different stress conditions, such as oncogene activation or DNA damage. In this study, we have identified a peptide-based inhibition of MDM2 as a therapeutic strategy for GBM. We have further validated the stability of the MDM2-peptide interaction using a molecular structural dynamics approach. The major trajectories, including root mean square of deviation (RMSD), root mean square of fluctuation (RMSF), and radius of gyration (RoG), indicate that the candidate peptides have a more stable binding compared to the native ligand and control drug. The stability of the binding interaction was further estimated by MMGBSA analysis, which also suggests that MDM2 has a stable binding with both peptide molecules. Based on these results, peptides P-1843 and P-3837 could be tested further for experimental validation to confirm their targeted inhibition of MDM-2. This approach could provide a highly selective and efficient inhibitor with potentially fewer side effects and less toxicity compared to small drug-based molecules.

The US-China race for technological centrality: A network perspective

This research analyzes the evolution of technological leadership in the global patents network, focusing on the roles of the US and China from 2001 to 2021. The US's central position in the network faces increasing challenges from China's economic and technological rise. This study goes beyond conventional approaches that analyze material capabilities by adopting a structural dynamic approach, which allows us to examine not only a country's centrality but also the mechanisms that lead a country to become central in the network. International technological influence is assessed through the global patents network by analyzing each country's position and growth mechanisms. The results show that, despite China's substantial growth in the network, the US remains the undisputed central power, benefiting from a growth mechanism that favors already central countries.

Nonparametric approach for structural dynamics of high-voltage cables

High-voltage cables, as applied in the electro-mobility, are highly complex structures regarding their vibration behaviour. The high complexity leads to considerable uncertainty in models for a finite element method (FEM) simulation, which is shown, for example, in the contact modelling between the strands of the cable. To handle this uncertainty and model the structural dynamic, a nonparametric probabilistic approach (NPPA) with random matrices is used for the first time on high-voltage cables. This novel application of NPPA has an advantage over typical FEM analysis by using a more manageable simulation model and eliminating the need for a complex deterministic simulation model. Initially, the NPPA is analysed and enhanced, with an optimization for the dispersion parameter and a frequency shift introduced as methodological improvements. These enhancements result in a comparable scatter band of the frequency response. Following preliminary studies, the cable's dynamic behaviour is examined through experimental modal analysis, after which the dispersion parameters are computed. The NPPA is then applied to the simplified deterministic model with the calculated dispersion parameters, and a Monte Carlo simulation is done. As a result of this simulation, a scatter band is given. The results from the simulation are then compared to the results of an experiment. It is shown that the frequency response from the experiment is almost always in the inner area of the scatter band. Consequently, this innovative method can be used for a risk evaluation according to the path of the frequency response function and an evaluation of the structural behaviour.

Fiscal Policy from a Structural Economic Dynamics Approach with General Macroeconomica Constraint

The aim of this paper is to analyze how fiscal policy can affect per capita economic growth. Therefore, an extension of the model by Araujo and Lima (2007) was made, by considering the public sector taxation and public expenses. Our findings corroborate the fact that positive public savings relieve the external constraint. We demonstrate that sectoral public spending growth rate and sectoral public taxes growth rate can affects economic growth. Still, it shows that the rate of economic growth is sensitive to the sectoral composition of public spending and taxation. Finally, a computer simulation is presented.

A high-throughput structural dynamics approach for identification of potential agonists of FFAR4 for type 2 diabetes mellitus therapy

Diabetes mellitus is a metabolic disorder that persists as a global threat to the world. A G-protein coupled receptor (GPCR), free fatty acid receptor 4 (FFAR4), has emerged as a potential target for type 2 diabetes mellitus (T2DM) and obesity-related disorders. The current study has investigated the FFAR4, deploying 3-dimensional structure modeling, molecular docking, machine learning, and high-throughput virtual screening methods to unravel the receptor’s crucial and non-crucial binding site residues. We screened four lakh compounds and shortlisted them based on binding energy, stereochemical considerations, non-bonded interactions, and pharmacokinetic profiling. Out of the screened compounds, four compounds were selected for ligand-bound simulations. The molecular dynamic simulations were carried out for 1µs for native FFAR4 and 500 ns each for complexes of FFAR4 with compound 1, compound 2, compound 3, and compound 4. Our findings showed that in addition to reported binding site residues ARG99, ARG183, and VAL98 in known agonists like TUG-891, the amino acids ARG22, ARG24, THR23, TRP305, and GLU43 were also critical binding site residues. These amino acids impart stability to the FFAR4 complexes and contribute to the stronger binding affinity of the compounds. The study also indicated that aromatic residues like PHE211 are crucial for recognizing the active site’s pi-pi and C-C double bonds. Since FFAR4 is a membrane protein, the simulation studies give an insight into the mechanisms of the crucial protein-lipid and lipid-water interactions. The analysis of the molecular dynamics trajectories showed all four compounds as potential hit molecules that can be developed further into potential agonists for T2DM therapy. Amongst the four compounds, compound 4 showed relatively better binding affinity, stronger non-bonded interactions, and a stable complex. Communicated by Ramaswamy H. Sarma

Medium-term trends in economic and technological development of metals industry regions

Since metals industry regions are dependent on the location of production resources and infrastructure, as well as have highly capital-intensive production, they usually feature a slowly changing industrial and technological structure of production. In line with the hypothesis of the study, the technological structure of the manufacturing industry determines the differences in their economic development. The study aims to explore the medium-term trends and patterns in economic and technological development of the metals industry regions. The methodological basis of the research is the structural dynamic approach to studying regional economic development. The methods include multivariate data analysis and clustering algorithms, time series estimation and correlation analysis. The study uses the data on large and medium-sized enterprises by types of economic activities for 2006–2021 taken from an information and analytics system FIRA PRO. According to the findings, the Chelyabinsk, Sverdlovsk, Lipetsk, Vologda and Tula oblasts are metals industry regions. The identified medium-term trends in their economic development show different dynamics of input and output indicators of production both by all types of economic activities and in metals industry in particular. The study proves that the dynamics of metals industry regions’ development largely depends on technological characteristics of the manufacturing industry. The results of the research contribute to the understanding of the adaptation mechanisms of regions’ industry to the changing conditions of external environment.

Model of innovative personality: structural and dynamic approach

The relevance of the presented article is determined by the globalization and European integration transformations of modern society, in which innovation becomes an essential feature of all its spheres, which objectively determines the necessity and expediency of innovative reformation of higher education, as one of the basic social institutions, which is the surface of formation of an innovative personality. The purpose of the article is to develop a model of an innovative personality based on the positions of the structural-dynamic approach. The tasks consist in the definition and analysis of thorough theoretical positions, the essence and structure of the innovative personality, the dynamics of certain components and their presentation in the form of a model. The initial basic phenomena of the article are analysed, which are: “innovations”, “model”. A scientific thesaurus of the problem of the subject of innovation is given, represented by such concepts as: “innovator”, “innovative personality”, “innovative type personality”, “innovatively oriented personality”. The etymology of the concept of “innovative personality” is revealed. The concepts in which this concept appeared for the first time were analysed, namely: the theory of social changes, the concept of polar dichotomies (sociology of changes). An overview of studies that consider the problem of an innovative personality from an aspect is presented. The model of an innovative personality is represented, which contains innovative orientation (a set of motives, needs, values, attitudes), innovative-cognitive (synthesis of innovative knowledge, cognitive style, cognitive activity), innovative-praxeological (complex of innovative skills and innovative behaviour), reflexiveprognostic components (innovative and reflective qualities and innovative potential). It was concluded that an innovative personality is a product and subject of the modern information society. It is fundamentally different from the personality syndromes of pre-informational civilizations and is the main resource for the success of modern society.

Enhanced Seismic Response Prediction of Critical Structures via 3D Regional Scale Physics-Based Earthquake Simulation

ABSTRACT Realistic physics-based 3D earthquake simulation for source-to-structure wave propagation consists of a powerful numerical tool for seismic response prediction of critical structures submitted to high safety standards. Structural response considering soil–structure interaction (SSI) is usually estimated by Finite Element Method (FEM) approach, as it is considered as the most flexible numerical approach for nonlinear structural dynamics. However, current engineering practice considers seismic input motion as vertically incident plane waves, despite the fact that this assumption excludes wave passage effects for large infrastructures and surface waves appearing from possible local basin effects. In this framework, a realistic input excitation needs to be defined as an input excitation of the FEM model, accounting for (i) a realistic dynamic excitation, (ii) wave propagation path in the regional scale, and (iii) local site-effects. The Domain Reduction Method (DRM), which allows for the imposition of a 3D complex incident wave field as an input to the SSI model, is adapted and examined here in a Spectral Element Method (SEM) – FEM weak coupling approach. The weak coupling is verified at first for a canonical case-study and for an increasing complexity of the dynamic excitation: (i) double-couple point-source and (ii) extended fault. An optimization approach, based on the decimation of SEM output signal, is then examined in order to decrease the computational burden by maintaining the same accuracy of the final solution. The SEM-FEM weak coupling is then used to study the SSI problem, where the impact of the reduced domain size on structural response is examined at first. The current study shows that a reduced domain of dimension greater than , where is the maximum wavelength, is sufficient for a proper representation of structural response. For a fixed size model, structural and soil responses are then examined for a hypothetical case-study.

Ландшафтообразующие процессы, факторы и ландшафтная структура юга Селенгинского среднегорья

The article studies the landscape structure of the territory of south the Selenga middle mountains. The introduction to the article defines the concepts of landscape structure, factor-dynamic system, and reveals the essence of the structural-dynamic approach to the study of geosystems. The section "Object and methods of research" describes the natural conditions of the south of the Selenga middle mountains and methods of landscape research. The results of the study present an analysis of the main landscape-forming processes, factor-dynamic series, and dynamic categories of geosystems, as well as a map of the landscape structure of the study area. A structural-dynamic (factor-dynamic) approach to the analysis of landscape structure was implemented using GIS technologies based on remote sensing data, field research materials, maps of various contents and literary information. The leading landscape-forming processes and the main factors that influence the formation of the landscape structure are shown. As a result of the conducted research, a landscape map of geosystems of the topological hierarchical level was constructed, which shows the types of geosystems (geomes, classes and groups of facies) reflecting the factor-dynamic structure of landscapes. For the mountains of the south of the Selenga Middle Mountains, the leading landscape-forming processes are gravity-slope, slope water-erosion, fluvial and aeolian processes that determine the formation of lithomorphic, alluvial-hydrolithomorphic and psammo-lithomorphic factorial-dynamic series of geosystems (facies classes). For plains, the leading landscape-forming processes are slope water-erosion, alluvial, lacustrine and aeolian, forming lithomorphic, alluvial-hydromorphic and psammomorphic series of facies.

Structural dynamic response of a locomotive hydraulic damper with welding imperfections

Railway vehicle hydraulic dampers are usually subject to premature structural failures, so it is meaningful to investigate the dynamic response of its welded main structure. FEA modelling of the welded rod-and-attachment assembly with imperfections of a Chinese electric locomotive axle-box hydraulic damper is performed, and load spectra of the axle-box hydraulic damper both under nominal and actual in-service conditions are obtained. Structural dynamics response analysis of the welded rod-and-attachment assembly of the damper is then conducted by using the FEA model and load spectra, and demonstrates that all of the maximum dynamic stresses have increased by 40% or so when using the actual in-service load spectra regardless of the weld joint condition, if the weld joint is with imperfection of misalignment of rod and attachment, the maximum dynamic stress has increased by 41.46%. Therefore, railway hydraulic dampers are usually subject to actual in-service load spectra instead of the nominal load spectra used in the design process, if the damper also has got welding imperfections, the damper would be readily subject to premature failures, this is why many current railway vehicle hydraulic dampers are still subject to premature failures despite with ‘perfect’ designs. The FEA model, the structural dynamic response analysis approach and results obtained in this work would be instructive in improving damper structure design, welding quality control and inspection.

Fast structural dynamic modeling and analysis for horizontally folding wing

To investigate the structural dynamic characteristics of a folding wing effectively, a fast structural dynamic modeling approach is proposed. Firstly, the interface compatible relationship of the traditional fixed interface component modal synthesis method is modified, and the internal force of the interface is completely expressed in the structural dynamic equation, so that the influence of the connection stiffness on the wing structure dynamics can be considered. Then, on the basis of the fixed interface component modal synthesis method, the main mode of fixed-loaded interface is introduced to establish the mixed-loaded interface component modal synthesis method, which makes it feasible to accurately reflect the influence of elasticity and inertia of fuselage and outer wing on inner wing. The structural dynamics modeling method based on two different kinds of component modal synthesis method analyzed and deduced in detail. The application of component modal synthesis method in the fast structural dynamics modeling of folding wing is achieved. The whole program is compiled in MATLAB. At the same time, the dynamic characteristics of the folding wing with different folding angles, different connections and different connection positions is investigated. The results of the method proposed in this paper are compared with the results of the repeated finite model established in MSC.NASTRAN to verify the effectiveness from the aspects of natural frequency and vibration mode.

Drug designing against NSP15 of SARS-COV2 via high throughput computational screening and structural dynamics approach

The rapid outbreak of the COVID-19 also known as SARS-CoV2 has been declared pandemic with serious global concern. As there is no effective therapeutic against COVID-19, there is an urgent need for explicit treatment against it. The focused objective of the current study is to propose promising drug candidates against the newly identified potential therapeutic target (endonuclease, NSP15) of SARS-CoV2. NSP15 is an attractive druggable target due to its critical role in SARS-CoV2 replication and virulence in addition to interference with the host immune system. Here in the present study, we integrated the high throughput computational screening and dynamic simulation approach to identify the most promising candidate lead compound against NSP15.5-fluoro-2-oxo-1H-pyrazine-3-carboxamide (favipiravir), (3R,4R, 5R)-3,4-Bis(benzyloxy)-5-((benzyloxy) methyl) dihydrofuran-2(3H)-one) remedesivir, 1,3-thiazol-5-ylmethyl N-[(2S,3S, 5S)-3-hydroxy-5-[[(2 S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (ritonavir), ethyl (3R,4R, 5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate (oseltamivir), and (2 S)–N-[(2S,4S, 5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide (lopinavir) were chosen as a training set to generate the pharmacophore model. A dataset of ~140,000 compounds library was screened against the designed pharmacophore model and 10 unique compounds were selected that passed successfully through geometry constraints, Lipinski Rule of 5, and ADME/Tox filters along with a strong binding affinity for NSP15 binding cavity. The best fit compound was selected for dynamic simulation to have detailed structural features critical for binding with the NSP15 protein.Given our detailed integrative computational analysis, a Small molecule (3,3-Dimethyl-N-[4-(1-piperidinylcarbonyl) phenyl] butanamide) with drug-like properties and high binding affinity with the NSP15 is proposed as a most promising potential drug against COVID-19. The current computational integrative approach may complement high-throughput screening and the shortlisted small molecule may contribute to selective targeting of NSP15 to stop the replication of SARS-CoV2.

A Structural Economic Dynamics Approach to ‘Stagnationist’ Unbalanced Growth

ABSTRACT Our inquiry offers an analysis of ‘stagnationist’ unbalanced growth through making use of a Structural Economic Dynamic (SED) approach. What we intend to establish are some of the advantages associated with treating William Baumol’s unbalanced growth model as a particular case of Luigi Pasinetti’s framework. One such advantage involves challenging assumptions behind the model by scrutinising the conditions under which Baumol’s result is valid. Another advantage consists of extending the analysis to an arbitrary number of sectors to consider quasi-proportional growth and full dynamics – cases considered by Pasinetti. As suggested by Nicholas Oulton and drawing from the SED framework, we then expand the model to consider intermediate inputs, through using the concept of vertical integration. This leads us to confirm the remark advanced by Oulton; namely, that in the presence of intermediate goods, the aggregate growth rate of productivity might not slow down sufficiently to converge towards the lower productivity growth sector, as advocated by Baumol. In sum, the point we seek to establish is that the ‘stagnationist’ outcome depends on an intricate relation between supply and demand. The multi-sectoral approach that considers intermediate inputs suggests that a disaggregated analysis of well-established results can indeed offer novel insights.

Nanoionics - the Developing Informative System. Part. 1. Stages of Formation and Modern State of Nanoionics in Russia

The critical review of stages of formation, development, and modern state of nanoionics in Russia and in the world is presented. The nanoionics is considered as the developing information system; its history is analyzed for the first time in terms of the dynamic theory of information and strategic innovative management. The history stages of beginnings and development of an applied and theoretical nanoionics in Russia are considered in this part of the review. In the main, the results of IMT RAS where researches were carried out for expansion of the nanoionics borders in new directions are analyzed. Results of development of new directions, such as dynamic theory of fast ionic transport (FIT) at a nanoscale (structure-dynamic approach of nanoionics, SDA), and nanoionics of advanced superionic conductors (AdSICs) are presented in more detail. Potential of these directions in breakthrough technologies is discussed.

Universal dynamic response in polycrystals of advanced superionic conductors

The work develops the material science of advanced superionic conductors (AdSICs). The AdSICs have been distinguished by the authors as a new class of solid-state ionic conductors due to the best ion-transport properties and their special crystal structure that is close to optimum for fast ion transport (FIT). Structure descriptors, a new geometry of 3D close packing of FIT tunnels inside the unit cell, and the distinctive properties of grain boundaries (GBs) in AdSICs have been revealed. On this structural basis and a recently developed theory of ion transport on a nanoscale (“structure-dynamic approach of nanoionics,” SDA), the absence of Jonsher’s universal dynamic response (UDR) in polycrystalline AdSICs has been explained. In solid-state ionic conductors, UDR holds in a frequency (ω) range depending on heights (η) and heights difference (Δη) of potential barriers which mobile ions overcome in a non-uniform crystal potential landscape. In polycrystalline AdSICs, η is not above 0.2 eV and Δη ≤ ~ 0.1 eV; therefore, the SDA indicates the response to external electric excitations has an ohmic character, i.e., does not depend on ω. The important role of processes of structural self-organization and the formation of low-energy coherent GBs in AdSICs is emphasized. It is concluded that a deeper understanding of the structure and properties of AdSICs can serve as a guide for searching and designing new materials/devices with FIT.

Comparison of Stimuli for Nonlinear System Response Classification

As part of the development of an automated virtual design classification approach for nonlinear structural dynamics, alternative excitation functions are evaluated with respect to their overall performance and efficiency in feature-based response analysis. Robust design of nonlinear structures requires analysis of extensive parameter variations. Both the character of the stimulus and feature metrics used are central to the performance of a response classification approach. The main purpose of this study is to compare stimulus candidates with respect to their efficiency in response classification. A deterministic multilevel, multifrequency stepped-sine periodic test function is used as a baseline. Order-wise differences between generalized and linearized system frequency response functions are evaluated by a selected feature metric to allow categorization into primary, sub and super harmonic responses, as well as odd and even order response distortions. An alternative excitation function type is the pseudorandom phase multi-sine. Its robust variant estimates the best linear approximation of the generalized frequency response function and related nonlinear and noise variances, which can be used for response classification. The fast variant of this method further detects and classifies occurring even and odd order nonlinear responses using a hypothesis test. This article describes the application of these three methods to a virtually running two-piece rotor shaft model. Time response signals from simulated test parameter variations are used to calculate selected nonlinear feature metric values. The total simulation and measurement time, as well as the predictive performance in a few typical nonlinear response cases are evaluated.

Comments on equilibrium thermodynamic approach to ferroic hysteresis

The equilibrium thermodynamic approach to ferroic hysteresis was recalled firstly, especially according to the ferroelectric case. Then based on the uniqueness of equilibrium state, it was showed that a ferroic hysteresis loop is composed of stationary states but not equilibrium ones, especially according to the ferromagnetic case. So, it was concluded that the equilibrium thermodynamic approach to ferroic hysteresis is not reliable. Life-force should be bestowed on the domain structure dynamic approach and the non-equilibrium thermodynamic approach.

Structural-dynamic approach to the formalization of information exchange objects under Integrated Information Environment

The structural-dynamic approach to the formalization of the information exchange objects structure and behavior under Integrated Information Environment is considered: electronic design document and a typical design object. For the objects formalization and modeling the basic of subject-oriented ontologies, automata and set theory were used. The subject area (scope) and the electronic design document structure is formalized in ontology. Graphic representation of the information exchange objects life cycle performed as colored oriented nets. The ontological approach and colored networks allows revealing the relationship between structure and behavior of information objects, avoiding information inconsistency of complex multiply connected structures. The proposed approach provides an opportunity to take into attention the entirety of electronic design documents submission and design objects, which is difficult to ensure using alternative modeling methods.

Multi‐expansion modal reduction: A pragmatic semi–a priori model order reduction approach for nonlinear structural dynamics

SummaryA novel model order reduction scheme for nonlinear finite element (NL‐FE) structural dynamics models is proposed in this work, which enables an overall accelerated model evaluation. The proposed multi‐expansion modal (MEM) reduction employs a set of modal bases evaluated for a number of representative statically deformed configurations, combined with these static deformation patterns, to obtain a reduced order basis (ROB). This ROB is then exploited in an a priori element sampling to obtain a hyper‐reduced model based on the energy‐conserving sampling and weighting approach. The proposed element sampling scheme uses a nonnegative L1 optimization of the element weights where an equality between the projected and hyper‐reduced linearized stiffness matrix or static deformation forces is added. A procedure and several guidelines on the reduced order model setup and evaluation are presented, with specific attention to how the presented approach allows to exploit existing NL‐FE frameworks. The MEM approach is validated numerically on an academic cantilever beam model and is shown to provide good accuracy and consistent convergence properties.