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We present a study of the microscopic dynamics of water trapped in reverse non-ionic micelles by means of a series of molecular dynamics simulations. The analysis of the effects of micellar confinement on spectroscopical...

Abstract Computational efficiency and accuracy always conflict with each other in molecular dynamics (MD) simulations. How to enhance the computational efficiency and keep accuracy at the same time is concerned by each c...

Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cholinergic dysfunction, making acetylcholinesterase (AChE) a key therapeutic target. Although Garcinia kola has been widely reported ...

Fluorinated ether-based electrolytes represent a promising avenue for improving lithium-ion battery performance and safety, yet the molecular mechanisms governing ion transport in these systems remain insufficiently unde...

Yuan Cui,1,2 Jingyi Hu,1 Yanan Li,1 Yiheng Tong,1 Hong Shen1 1Department of Gastroenterology, Jiangsu Province Hospital of Chinese Medicine, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210001,...

Precise temporal coordination in crowd simulation—ensuring agents arrive at targets in a specific order or at set intervals—remains a challenge for real-time applications. While existing force-based methods...

This study employs molecular dynamics (MD) simulations to systematically investigate the effects of the degree of polymerization (DP 10, 20, and 35) on the mechanical and tribological properties of nitrile butadiene rubb...

Abstract The multicomponent thermal fluid (MTF) process is a pivotal technology for enhancing heavy oil recovery. However, its injection often triggers particle migration and deposition within reservoirs, leading to perm...

The Nipah virus (NiV) is a zoonotic pathogen known for causing severe illnesses in both animals and humans, including encephalitis and respiratory issues. In this study, we present a nonlinear system of ordinary differen...

Abstract Esophageal cancer (EC) is a malignant tumor characterized by high incidence and mortality, and its complex pathogenesis necessitates the development of effective therapeutic strategies. In this study, we investi...

Abstract As global warming continues, the Earth's cryosphere is experiencing severe degradation. This study leverages a novel combination of distributed acoustic sensing (DAS) and artificial intelligence to monitor and d...

We present a molecular dynamics study of the liquid and plastic crystalline phases of CCl 3Br. We investigated the short-range orientational order using a recently developed classification method and we found that both p...

Recently, in addition to exploring the application of new saturable absorber devices in fiber lasers, soliton dynamics has also become a focus of current research. In this article, we report an ultrashort pulse fiber las...

Thermal stability is one of the most important and fundamental properties of energetic molecules, and still suffers from many challenges in theoretical evaluation prior to experiment determination. This work introduces a...

Molecular dynamics simulations are used to study the dynamics of a single Al nanosphere (singlet) colliding with an aggregate of two Al nanospheres (doublet) with initial Ⅰ-shaped configuration. Depending on the initia...

Abstract Background Malaria, whose parasites are transmitted by Anopheles mosquitoes, remains a major public health burden in Madagascar despite the control measures led by the National Malaria Control Program. Understan...

ABSTRACT A formation inversion algorithm with real‐time performance and accuracy is crucial for natural gamma logging while drilling (LWD). However, traditional inversion algorithms are often limited by high computatio...

Abstract There are vast constraint equations in conventional dynamics analysis of deployable structures, which lead to differential-algebraic equations (DAEs) solved hard. To reduce the difficulty of solving and the amou...

This paper presents a two-way coupling methodology between the robust Smoothed Particle Hydrodynamics (SPH)-based fluid solver DualSPHysics and the lumped-mass mooring dynamics solver MoorDynPlus. Such integration enable...

An electromagnetic transient (EMT) simulation framework is developed by integrating the Parallel-in-Time algorithm with a data-oriented Entity–Component–System (ECS) architecture. The proposed method aims t...

We obtain, using semianalytical transfer operator techniques, the Edwards thermodynamics of a one-dimensional model of blocks connected by harmonic springs and subjected to dry friction. The theory is able to reproduce t...

Coronal mass ejections (CMEs) are eruptions originating from the solar corona, usually carrying a large amount of fast-flowing plasma into interplanetary space, accompanied by an enhanced magnetic field. CMEs can form sh...

Abstract Model instability remains a core challenge for data‐driven parameterizations, especially those developed with supervised algorithms, and rigorous methods to address it are lacking. Here, by integrating machine...

We have applied the short-time dynamics method to the gas-liquid transition to detect the supercooled gas instability (gas spinodal) and the superheated liquid instability (liquid spinodal). Using Monte Carlo simulation,...