Dynamic Simulation - Science topic

In this paper, three-dimensional (3D) dynamic analysis of a rotational smart piezomagnetic-flexomagnetic (PFM) multi-functional micro-disk has been investigated. In the mathematical modeling, an attempt has been made to develop a wide range of factors influencing the analyzed structure, which is intended to be used as a micro-sensor/actuator. The i...

Navier-Stokes equations used to model fluid dynamic processes are fundamental to address several real-world problems related to energy production, aerospace applications, automotive design, industrial process, etc. However, since in most cases they do not admit any analytical solution, numerical simulations are required in industrial contexts to as...

It is essential but difficult to monitor the underlying atomistic mechanisms for the competitive nucleophilic substitution (SN2) and base-induced elimination (E2) reactions. Especially, the dynamic characters of bulky alkyl substitution halides remain unclear due to its complexity. Here, we present direct dynamics simulations of the fluoride anion...

We study the photoinduced chemical dynamics of cyclobutanone upon excitation at 200 nm to the 3s Rydberg state using MeV ultrafast electron diffraction (UED). We observe both the elastic scattering signal, which contains information about the structural dynamics, and the inelastic scattering signal, which encodes information about the electronic st...

We investigated the ultrafast structural dynamics of cyclobutanone following photoexcitation at λ = 200 nm using gas-phase megaelectronvolt ultrafast electron diffraction. Our investigation complements the simulation studies of the same process within this special issue. It provides information about both electronic state population and structural...

This study explored the initial-boundary value problem of an immiscible, incompressible two-phase flow within a deformable porous medium system, modeled in an N-dimensional ( N≥3) Euclidean space. The primary objective was to devise a novel model that effectively captured previously overlooked physical phenomena and established the global existence...

Background Periodontitis, a chronic infectious disease, presents significant treatment challenges due to antibiotic resistance and high recurrence rates, necessitating novel therapeutics. Methods Network pharmacology identified ISL’s potential targets in periodontitis, focusing on NF-κB signaling pathway. Toxicity was assessed via MTT assay and lo...

Insulation is one of the most effective methods for reducing energy consumption in both the heating and cooling of buildings. Selecting the right materials is crucial as, in addition to reducing emissions from the operation phase thanks to high energy efficiency, it is important that innovative materials also have a low impact during the production...

Background Drought stress is a major constraint on seed germination and crop productivity, particularly for drought-sensitive crops like common buckwheat (Fagopyrum esculentum). Exogenous melatonin has emerged as a promising strategy to mitigate drought stress by enhancing plant physiological and biochemical responses. However, its specific roles i...

This study presents a comprehensive analysis of zoonotic disease transmission dynamics between baboon and human populations using both deterministic and stochastic modeling approaches. The model is constructed with a symmetric compartmental structure for each species—susceptible, infected, and recovered—which reflects a biological and mathematical...

Klebsiella pneumoniae, a key pathogen causing pneumonia, relies on fimbria adhesin protein to adhere to host tissues, initiating infection and producing virulence factors that damage lung tissue. This study aims to evaluate the inhibitory potential of Hylocereus undatus‐derived phytochemicals against the fimbria adhesin protein of K. pneumoniae thr...

Ten-member countries formally submitted their ratifications, reaching the activation threshold for the Regional Comprehensive Economic Partnership (RCEP), the largest global free trade agreement, which officially came into effect for these nations on 1 January 2022. Our study combines macroeconomic forecasts with policy impact assessments, utilizin...

We investigate the static and dynamic properties of dendrimers diffusing through a network of linear associative polymers using coarse-grained Brownian dynamics simulations. Both dendrimers and network chains are modelled as bead-spring chain polymers, with hydrodynamic interactions incorporated for the accurate prediction of dynamic properties. Li...

One experiment commonly used to teach young students about the response of structures to dynamic loading is the “egg drop challenge”, in which students design a device to protect an egg from cracking after a fall from a specified height. Relevant to this activity is the choice of orientation of the egg to decrease the probability of fracture. In th...

The vibronic ground state of HO–H–OH⁻ represents axial Ra and Sa enantiomers, with equal probabilities. It can be prepared thermodynamically at low temperatures (4K). If the chirality is measured to be Ra, then wavefunction collapse induces periodic quantum stereo-mutation from Ra to Sa to Ra to Sa and so on. Similarly, the observation of Sa induce...

The formation of condensates is now considered a major organizing principle of eukaryotic cells. Several studies have recently shown that the properties of these condensates are affected by enzymatic reactions. We propose here a simple generic model to study the interplay between two enzyme populations and a two-state protein. In one state, the pro...

The ballast tank is a critical system for LNG carriers, ensuring structural safety and stability during navigation. When LNG carriers navigate in polar regions, the ballast tank is prone to freezing, which will reduce the efficiency of ballast water circulation. Furthermore, the freezing process generates frost heaving forces that may damage the wa...

We explore the complex formation of an active flexible polymer chain in linear shear flow by using monomer-resolved Brownian dynamics simulations in two spatial dimensions. The chiral head monomer is active and circling, while all other monomers are passive, following both the motion of the head polymer and the shear flow. By the combination of act...

Medium-duty conveyor belt stretch modelling and simulation are needed to understand belt dynamics during startup, steady-state, and deceleration. Simulations evaluate a mathematical model’s belt tension and stretch prediction accuracy. This paper introduces a novel mathematical model for predicting belt tension and stretch in medium-duty conveyor s...

This study investigates the combination of guidance and control strategies for rigid spacecraft attitude reorientation, while dealing with forbidden pointing constraints, actuator limitations, and system uncertainties. These constraints arise due to the presence of bright objects in space that may damage sensitive payloads onboard the spacecraft, a...

Barley, scientifically known as Hordeum vulgare ( H. vulgare ), is a versatile cereal grain that belongs to the family Poaceae. Barley has exhibited several pharmacological activities, including anti-diuretic, anti-malarial, anti-rheumatic, anti-dysentery, anti-diarrhoea, and in the treatment of gastrointestinal disorders. The objective of this stu...

In order to solve the tough problem of safety and reasonable exploration of coal resources under the reservoir, through developing GIS reservoir area model and the surface mining subsidence visualization system by probability integral method, it is expected to achieve the precise calculation of the working face underwater mining area, it is also pr...

Photochemical denitrogenation reactions of bicyclic azoalkanes produce strained bicyclic compounds of interest to synthetic organic chemists. We report a computational study on the mechanism of diazabicyclo[2.2.1]heptenes to address long standing mechanistic questions. Indeed, the mechanism of these reactions have been disputed for over six decades...

Fungal infections caused by Candida albicans pose a significant global health challenge due to their high morbidity, mortality, and the growing prevalence of drug resistance. The failure of existing antifungal agents against resistant strains underscores the urgent need for novel therapeutic alternatives. In response to this challenge, we have crea...

Lagrangian dynamics simulation is a challenging task, as it typically depends on integrating velocity fields, whose estimation is inherently difficult due to both theoretical and technical constraints. Neural Network approaches provide practical methods to overcome most of related complications by learning directly from data. In this paper a deep C...

The rapid pace of industrial development has significantly increased the demand for virtual testing of machines and control algorithms. Besides traditional simulations, machine learning has become widespread: certain subsystems or even the entire simulation model is replaced by neural network models.Besides existing concepts, this work explores the...

Introduction: Using thermal energy from natural water bodies, the paper presents a sustainable heating solution. It draws attention to the drawbacks of conventional systems and offers a closed-loop heat exchange system with a non-corrosive brine solution for increased effectiveness and reduced environmental impact. Objectives: The primary objective...

Dark-field X-ray microscopy (DFXM) has recently been introduced for 3D mapping of dislocations and their strain fields in bulk samples and with high angular resolution (10 ⁻⁴ °). In this work, we investigate the minimum information needed to identify the type of an isolated dislocation, parameterized by its Burgers vector, line direction and slip p...

Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), continues to be a major global health burden, particularly with the alarming rise of multi‐drug‐resistant (MDR) and extensively drug‐resistant (XDR) strains that compromise the efficacy of conventional therapies. Hence, we designed a new set of spirooxindole‐ and spiroindenoquinoxaline‐...

To improve the flexibility and stability of high-power aviation dry friction clutches, aiming at engagement time and impact torque, a clutch model was constructed using UG software. Orthogonal experiments were designed and dynamic simulation was conducted using Adams software to generate sample data. The effects of friction coefficient, logarithm o...

Microfluidic techniques for label-free sorting of circulating tumor cells (CTCs) from peripheral blood are generally based on physical characteristic differences between blood cells and cancer cells, especially size differences. However, because the diameter ranges of some leukocytes and CTCs overlap, size-based sorting can certainly be disturbed b...

Large spatial stainless steel structures can be susceptible to accidental events such as fires, given their high occupancy, wide range of combustible materials and diverse usage. Consequently, a comprehensive investigation into the temperature field in large spatial stainless steel structures in the event of a fire has been conducted, encompassing...

Pseudomonas aeruginosa is a gram-negative, opportunistic pathogen that represents a serious risk factor in healthcare services due to its natural resistance mechanisms and the increasing prevalence of multi-drug resistant strains. This study utilized in silico computational approaches to identify the novel inhibitors for d-alanine–d-alanine ligase...

Rotational dynamics simulations of neutral O2 molecules driven by linearly, elliptically and circularly polarized femtosecond pulsed lasers are carried out using a full quantum time-dependent wave packet evolution method. Here, the direction of laser propagation is set along the z axis, and the polarization plane is restricted to the xy plane. The...

In the Car–Parrinello molecular dynamics (CPMD) formalism, orbitals can be assigned different effective masses according to whether the orbital is occupied by a hole or an electron, and such masses affect the response of the orbitals to their environment. Inspired by this, we introduce and implement a novel modification of CPMD, HoleMass CPMD, in w...

The detection of fire temperature fields in underground exhibition spaces has become a critical issue for fire evacuation planning. This study aims to elucidate the influence mechanisms of spatial characteristics on fire temperature fields and innovatively proposes a temperature field prediction method based on distributed fiber optic temperature s...

This paper analyzes the honest-dishonest behavior of cloud data collection and dissemination system users, employing evolutionary game theory. It’s very important to study evolutionary game theory application in cloud data collection and dissemination systems. It tends to describe the trends of honest-dishonest behavior of system stakeholders based...

Regarding the mechanical response of the electromechanical system during the penetration of an unpowered aircraft into water, dynamic simulation software was used to numerically simulate the mechanical characteristics of the electromechanical system during the penetration of a certain unpowered aircraft into water at different landing speeds. A com...

Gastric adenocarcinoma (GAC) ranks among the most common cancers worldwide. Hepatocyte growth factor receptor, also known as MET, plays crucial roles in GAC progression. Present study aimed to investigate whether urolithin A (UA), urolithin B (UB) and methyl UA (mUA) could induce anticancer effects on GAC cells via targeting MET. For computational...

Engineering tasks are significantly underrepresented in current large language model (LLM) datasets and research, despite their complexity and practical importance. These tasks often demand a deep mathematical and involve a combination of textual descriptions, visual representations, and numerical data. Moreover, engineering frequently relies on ac...

The petroleum industry, characterized by the significant investment in costly equipment and devices utilized in the extraction, production, or processing of crude oil, can result in the loss of valuable assets or the crude itself. This research involved the synthesis of a Schiff base from substituted gallic acid derivatives through an intermediate...

Efficient, adaptive, and precise operation in complex microenvironments requires the careful design and manufacturing of tiny machines that provide optical signaling, flexible navigation, and remote control. Here, chemical/photoactivated Au microswimmers capable of multi‐color light signaling is presented, which exhibit distinct swimming behaviors...

This study investigates the thermal and energy performance of various bio-based materials, including Typha Australis, straw, banana fiber, Alfa fiber, peanut shells, and VSS (a blend of wood pulp, cotton, flax, and hemp), in comparison to conventional concrete. A combined approach integrating numerical simulations and experimental analyses was empl...

Electromechanical actuators (EMAs) are becoming increasingly attractive across industries such as aviation, automotive, robotics, and heavy machinery, due to their precise motion control, high efficiency, reliability, and seamless integration with electronic control systems. Mobile machinery has traditionally relied on hydraulic actuators for their...

Land use and land cover change (LULCC) is a key driver of carbon storage changes, especially in complex coastal ecosystems such as the Yellow River Delta (YRD), which is jointly influenced by climate change and resource development. The compounded effects of sea-level rise (SLR) and land subsidence (LS) are particularly prominent. This study is the...

Recent years have seen a rising demand for effective treatments driven by heightened concerns about cancer and other diseases. Among various types of accelerators, the electron linear accelerator has emerged as a promising option for miniaturization. In response to this need, we have completed a comprehensive physical design of a compact side-coupl...

Protection from static and dynamic actions is an urgent matter for masonry buildings, which constitute the majority of the world’s architectural heritage. For this reason, the search for best strategies to analyse the mechanical responses of such structures under both dead and seismic loads has been at the centre of a vivid debate within the scient...

Introduction Wuling capsule is a Chinese patent medicine mainly used for the treatment of chronic liver disease in clinical practice. Our previous work has revealed that Wuling capsule could inhibit liver fibrosis by regulating macrophage polarization, and firstly demonstrated its anti-gout effects on monosodium urate (MSU)- induced acute gouty art...

Modern heating, ventilation, and air conditioning (HVAC) systems have evolved from simple on-off, fan-driven systems to highly complex, energy-optimized systems involving sensors monitoring the building whose outputs result in dynamic changes to the HVAC system operation. In some buildings, the HVAC system is intended to aid in smoke and pressure c...

Tooth root crack faults of gears have long been affecting the performance and service life of rotating machiners. The quantitative diagnosis of tooth root crack is crucial for effective equipment condition monitoring and management. However, affected by the high costs and limited availability of sample data, the problem of insufficient sample size...

The conventional grey relational analysis (GRA) demonstrates limitations in dynamic simulation data evaluation due to its failure to simultaneously account for geometric similarity among dynamic indicators and the proximity of data curve distances. This deficiency manifests as a compromised robustness in noise resistance and interference suppressio...

The object of the study is the process of assessing the effectiveness of technical systems’ computer dynamic simulators. The subject of the study is methods for assessing the effectiveness of dynamic simulators taking into account the criteria of economic efficiency of training of those who study. The assessment of the effectiveness of technical sy...

This study proposes targeted policy strategies to phase out mercury thermometers, especially in developing regions, under the Minamata Convention on Mercury. By integrating a tripartite evolutionary game framework with system dynamics simulation, it examines the decision-making behaviors of government agencies, manufacturing enterprises, and consum...

Climate change presents serious threats to the sustainability of coupled Water–Agriculture–Community Systems (WACSs) in New Mexico’s Lower Rio Grande (LRG) region. Enhancing the resilience of WACSs is essential for ensuring the system’s long-term adaptability and sustainability. Although the importance of system feedback and dynamic behavior is inc...

BACKGROUND Phenolic acids, such as chlorogenic acid (CGA) and rosmarinic acid (RA), are added to plant‐based beverages as nutritional supplements to enhance their health benefits. However, these compounds can also interfere with the astringency‐reducing effect of tannase. This study employed electronic tongue analysis, enzyme inhibition kinetics, s...

Loess landslides represent a prevalent and severe type of geological disaster in the Loess Plateau and its surrounding regions. Their frequency and intensity are notably exacerbated under rainfall conditions. This study focuses on investigating the destabilization mechanism of loess landslides induced by rainfall preferential infiltration on the no...

Purpose To clarify how ophthalmic viscosurgical devices (OVDs) behave during the soft shell technique. Methods We simulated the fluids dynamics of a Dispersive-OVD [Combination of 3% hyaluronic acid (HA) and 4% chondroitin sulfate] and Cohesive-OVD (1% HA with a high molecular weight) during the soft shell technique using the software program Flue...

Compressed natural gas (CNG) refueling stations operate under highly dynamic thermodynamic conditions, requiring accurate modeling and optimization to ensure efficient performance. In this study, a dynamic simulation model of a CNG station was developed using MATLAB-SIMULINK, including detailed subsystems for multi-stage compression, cascade storag...

We analyze correlations between density fluctuations and between current fluctuations in a one-dimensional driven lattice gas with repulsive nearest-neighbor interaction and in single-file Brownian motion of hard spheres dragged across a cosine potential with constant force. By extensive kinetic Monte Carlo and Brownian dynamics simulations, we sho...

This paper proposes an improved Embedded Discrete Fracture Model (EDFM) that integrates fluid flow-fracture mechanics mechanisms with microseismic event triggering criteria to achieve high-precision dynamic simulation of hydraulic fracture propagation and prediction of Stimulated Rock Volume (SRV). The model innovatively introduces critical pore pr...

Single-file diffusion (SFD) is a key mechanism underlying transport phenomena in confined physical and biological systems. In a typical SFD process, microscopic particles are restricted to moving in a narrow channel where they cannot pass one another, resulting in constrained motion and anomalous long-time diffusion. In this study, we use Brownian...

The electronic properties and excited‐state intramolecular double proton transfer of 2,5‐bis(2‐benzimidazolyl)hydroquinone (bis‐HBI) in a nonpolar solvent were investigated using a combined experimental and theoretical approach. Bis‐HBI was successfully synthesized and its characterization was confirmed through ¹H NMR and FT‐IR. Three distinct emis...

The hard-sphere potential has become a cornerstone in the study of both molecular and complex fluids. Despite its mathematical simplicity, its implementation in fixed time step molecular simulations remains a formidable challenge due to the discontinuity at contact. To avoid the issues associated with the ill-defined force at contact, a continuous...

Facing the support challenges of short-wall working face (15–40m) roadways in the ‘excavation–backfill–retention’ tunneling method for section coal pillars, traditional equipment struggled to achieve stable, reliable, and efficient support. This paper designed a temporary support robot for the excavation and mining system of section coal pillars to...

In response to the 2023 mandate requiring electronic stability control (ESC) for trucks in South Korea, domestic manufacturers have called for a relaxation of the maximum safe slope angle to reduce production costs. However, limited research exists on the quantitative relationship between ESC implementation and vehicle rollover stability under rela...

Introduction This study investigates the potential of magnetoelectric nanoparticles (MENPs) as a novel tool for localized electric stimulation of the central nervous system at single-neuron level, addressing the need for precise and minimally invasive neural modulation. Methods Using a computational framework based on finite element methods couple...

A well-designed clamping layout significantly enhances the dynamic stiffness of a manufacturing system, improving its stability and suppressing cutting chatter in workpieces. This paper focuses on the machining of thin-walled beams, which are prone to vibration and have low stiffness, especially under hydraulic floating clamping conditions. By anal...

New energy vehicles produce zero tailpipe emissions and are an effective method for addressing traffic pollution. This study establishes a system dynamics management model to explore the mid- and long-term effects of the new energy vehicle promotion policy on urban traffic and environment. Additionally, we propose a nonlinear function optimization...

Malaria parasites infect red blood cells where they digest host hemoglobin and release free heme inside a lysosome-like organelle called the food vacuole. To detoxify excess heme, parasites form hemozoin crystals that rapidly tumble inside this compartment. Hemozoin formation is critical for parasite survival and antimalarial drug activity, but cry...

Highlights This paper proposed a new health monitoring method for landing gear shock-absorbing systems based on the dynamic responses of landing gears during aircraft landing phase. The proposed sensor network consists of vertical fuselage and wheel accelerometers, and a deep learning method LDGNet is proposed to conduct health monitoring for three...

This study investigates the effect of remittances, financial sector development, and technological innovation, while also taking into account the foreign direct investment and economic growth on environmental quality by using its more comprehensive proxy, ecological footprint, and by focusing on yearly data from 1990 to 2021 in the context of Pakis...

UbiA prenyltransferases (PTs) play an indispensable role in the prenylation of plant metabolites, yielding numerous natural products with enhanced pharmacological activities, such as cannabinoids, polycyclic polyprenylated acylphloroglucinols, prenylated flavonoids, and stilbenoids. These enzymes typically target specific carbon atoms or hydroxy gr...

Objective This study investigates the therapeutic mechanisms of Xijiao Dihuang Decoction (XJDHD) in sepsis-induced acute lung injury (SALI) through an integrated approach, including network pharmacology, molecular docking, molecular dynamics simulations, and in vitro experiments. Methods Network pharmacology identified active ingredients and targe...

Studying the energy consumption of electric vehicles (EVs) is critical due to its wide-ranging impacts. For users, lower energy consumption reduces charging costs, improving EV affordability. Environmentally, it minimizes carbon emissions from power generation, supporting sustainable development. For manufacturers, understanding energy consumption...

Very few dynamic simulation models truly involve explicit, quantitative, two-way couplings of epidemiological and agrophysiological processes. Our aim is to develop a generic, transparent and simple, coupled disease-crop model, DYNAMO-A, where a polycyclic epidemic develops within the canopy of an annual crop. DYNAMO-A builds upon existing models,...

We investigate the non-equilibrium dynamics of active bead-spring critical percolation clusters under the action of monopolar and dipolar forces. Previously, Langevin dynamics simulations of Rouse-type dynamics were performed on a deterministic fractal -- the Sierpinski gasket -- and combined with analytical theory [Chaos {\bf 34}, 113107 (2024)]....

A major question in the field of femtosecond laser-induced demagnetization is whereto the angular momentum lost by the electrons is transferred. Recent ultrafast electron diffraction measurements [Tauchert \textit{et al.}, Nature {\bf 602}, 73 (2022)] suggest that this angular momentum is transferred to the rotational motion of atoms on a sub-picos...

The insula, a deeply situated cortical structure beneath the Sylvian sulcus, plays a critical role in sensory integration, emotion regulation, and cognitive control in the brain. Although several studies have described its anatomical and functional characteristics, mathematical models that quantitatively represent the insula’s complex structure and...