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5,054 Results Found

  • Article
  • Open Access
1 Citations
1,628 Views
30 Pages

28 March 2024

The current article focuses on the examination of nonlinear instability and dynamic transitions in a double-diffusive rotating couple-stress fluid layer. The analysis was based on the newly developed dynamic transition theory by T. Ma and S. Wang. Th...

  • Article
  • Open Access
8 Citations
3,776 Views
17 Pages

A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide

  • Andrea Correa,
  • Antonio De Nicola,
  • Giuseppe Scherillo,
  • Valerio Loianno and ,
  • Domenico Mallamace,
  • Francesco Mallamace,
  • Hiroshi Ito,
  • Pellegrino Musto and
  • Giuseppe Mensitieri
  • + 4 authors+ 0 author

The diffusion process of water molecules within a polyetherimide (PEI) glassy matrix has been analyzed by combining the experimental analysis of water sorption kinetics performed by FTIR spectroscopy with theoretical information gathered from Molecul...

(This article belongs to the Special Issue From Molecules to Colloids: Recent Advances in Their Chemical Physics)
  • Article
  • Open Access
4 Citations
3,128 Views
24 Pages

Photoplethysmographic Signal-Diffusive Dynamics as a Mental-Stress Physiological Indicator Using Convolutional Neural Networks

  • J. de Pedro-Carracedo,
  • J. Clemente,
  • D. Fuentes-Jimenez,
  • M. F. Cabrera-Umpiérrez and
  • A. P. Gonzalez-Marcos

2 August 2023

Stress is one of the primary triggers of serious pathologies (e.g., depression, obesity, heart attack). Prolonged exposure to it can lead to addictive substance consumption and even suicide, without ignoring other adverse side effects in the economic...

  • Article
  • Open Access
17 Citations
4,103 Views
15 Pages

Diffusive and Anti-Diffusive Behavior for Kinetic Models of Opinion Dynamics

  • Mirosław Lachowicz,
  • Henryk Leszczyński and
  • Elżbieta Puźniakowska–Gałuch

8 August 2019

In the present paper, we study a class of nonlinear integro-differential equations of a kinetic type describing the dynamics of opinion for two types of societies: conformist ( σ = 1 ) and anti-conformist ( σ = − 1 ). The essential role i...

(This article belongs to the Special Issue Kinetic Theory and Swarming Tools to Modeling Complex Systems—Symmetry problems in the Science of Living Systems)
  • Article
  • Open Access
1 Citations
1,985 Views
18 Pages

Entropy Production in a Fractal System with Diffusive Dynamics

  • Rafael S. Zola,
  • Ervin K. Lenzi,
  • Luciano R. da Silva and
  • Marcelo K. Lenzi

23 November 2023

We study the entropy production in a fractal system composed of two subsystems, each of which is subjected to an external force. This is achieved by using the H-theorem on the nonlinear Fokker–Planck equations (NFEs) characterizing the diffusin...

(This article belongs to the Special Issue Thermal Science and Engineering Applications)
  • Article
  • Open Access
28 Citations
4,776 Views
12 Pages

11 September 2022

The diffusion bonding method is one of the most essential manufacturing technologies for Ti-steel composite plates. In this paper, the atomic diffusion behavior at the Fe-Ti interface during the bonding process of Ti-steel composite plates is studied...

(This article belongs to the Topic Numerical Modelling on Metallic Materials)
  • Article
  • Open Access
4 Citations
3,915 Views
21 Pages

The Impact of Equilibrium Gas Pressure and Coal Particle Size on Gas Dynamic Diffusion in Coal

  • Chengwu Li,
  • Yao Nie,
  • Jianwei Tian,
  • Yuechao Zhao and
  • Xiaoqian Zhang

28 August 2019

The diffusion coefficient of gases in coal varies with time. This study aims to develop an unsteady dynamic diffusion (UDD) model based on the decay of diffusion coefficient with time and the change of integral. This study conducted a series of gas d...

(This article belongs to the Section Chemical Processes and Systems)
  • Article
  • Open Access
39 Citations
11,639 Views
28 Pages

8 October 2013

Diverse online social networks are becoming increasingly interconnected by sharing information. Accordingly, emergent macro-level phenomena have been observed, such as the synchronous spread of information across different types of social media. Atte...

(This article belongs to the Special Issue Social Networks and Information Diffusion)
  • Article
  • Open Access
7 Citations
4,297 Views
21 Pages

Transcending Conventional Biometry Frontiers: Diffusive Dynamics PPG Biometry

  • Javier de Pedro-Carracedo,
  • David Fuentes-Jimenez,
  • Ana María Ugena and
  • Ana Pilar Gonzalez-Marcos

23 August 2021

This paper presents the first photoplethysmographic (PPG) signal dynamic-based biometric authentication system with a Siamese convolutional neural network (CNN). Our method extracts the PPG signal’s biometric characteristics from its diffusive dynami...

(This article belongs to the Special Issue Advances in Wearable Photoplethysmography Applications in Health Monitoring)
  • Article
  • Open Access
1,541 Views
12 Pages

30 August 2023

In order to study the dynamic mechanism of the impact of technological innovation diffusion on enterprise population networks, a corresponding relationship between enterprise population networks and predatory models was established based on a predato...

(This article belongs to the Special Issue Advances in Mathematical Methods in Economics)
  • Article
  • Open Access
2 Citations
2,268 Views
17 Pages

20 August 2021

This paper investigates the problem of the global directed dynamic behaviors of a Lotka-Volterra competition-diffusion-advection system between two organisms in heterogeneous environments. The two organisms not only compete for different basic resour...

(This article belongs to the Special Issue Nonlinear Dynamical Systems with Applications)
  • Review
  • Open Access
13 Citations
3,479 Views
24 Pages

20 October 2023

The utilization rate of reclaimed asphalt pavement is significantly low in the sustainable design process of asphalt roads. Numerous researchers have extensively investigated the recycling and utilization of reclaimed asphalt pavements from various p...

(This article belongs to the Special Issue Applications of Granular Materials in Industry and Environmental Contexts)
  • Article
  • Open Access
56 Citations
8,115 Views
11 Pages

19 July 2019

Ultrasonic welding (UW) is an important joining technique in the electrical industry. Molecular dynamic simulation has been shown to possess several advantages for revealing the evolution of the atomic-scale structure and the interpretation of diffus...

(This article belongs to the Special Issue Molecular Dynamics in Nanomaterials and Nanofluids)
  • Article
  • Open Access
56 Citations
5,378 Views
13 Pages

18 March 2022

The diffusion between the virgin and aged asphalt binder in the recycled asphalt mixture is a crucial factor affecting its macro-mechanical performance. In this study, a combined model of the virgin-aged layered asphalt structure was assembled based...

(This article belongs to the Special Issue Surface Characterization and Treatments in Transportation Infrastructure)
  • Article
  • Open Access
11 Citations
2,869 Views
12 Pages

Molecular Dynamic Simulation and Experiment Validation on the Diffusion Behavior of Diffusion Welded Fe-Ti by Hot Isostatic Pressing Process

  • Cheng Gu,
  • Sheng Zeng,
  • Weili Peng,
  • Guoqiang You and ,
  • Jianhua Zhao and
  • Yajun Wang
  • + 1 author+ 0 author

15 August 2023

A reliable bonding interface between steel and Ti alloy is required for producing a steel/Ti bimetal composite. In this study, molecular dynamic simulations and diffusion welding experiments using the hot isostatic pressing process were conducted to...

(This article belongs to the Special Issue Advances in Welding of Alloy and Composites)
  • Feature Paper
  • Article
  • Open Access
16 Citations
6,712 Views
16 Pages

13 March 2019

Hydrogels with spatiotemporally tunable mechanical properties have been increasingly employed for studying the impact of tissue mechanics on cell fate processes. These dynamic hydrogels are particularly suitable for recapitulating the temporal stiffe...

  • Article
  • Open Access
2 Citations
3,029 Views
15 Pages

24 December 2019

The translational molecular dynamics in porous materials are affected by the presence of the porous structure that presents an obstacle for diffusing molecules in longer time scales, but not as much in shorter time scales. The characteristic time sca...

(This article belongs to the Special Issue Advances in Porous Materials)
  • Article
  • Open Access
31 Citations
6,878 Views
18 Pages

11 September 2020

We report Brownian dynamics simulations of tracer diffusion in regularly crosslinked polymer networks in order to elucidate the transport of a tracer particle in polymer networks. The average mesh size of homogeneous polymer networks is varied by ass...

(This article belongs to the Section Polymer Physics and Theory)
  • Proceeding Paper
  • Open Access
1 Citations
802 Views
9 Pages

In this work, we propose a nonlinear dynamic inverse solution to the diffusion problem based on Krylov Subspace Methods with spatiotemporal constraints. The proposed approach is applied by considering, as a forward problem, a 1D diffusion problem wit...

(This article belongs to the Proceedings of The 11th International Conference on Time Series and Forecasting)
  • Feature Paper
  • Article
  • Open Access
6 Citations
3,844 Views
18 Pages

3 July 2021

The behavior of all the solutions of the logistic equation with delay and diffusion in a sufficiently small positive neighborhood of the equilibrium state is studied. It is assumed that the Andronov–Hopf bifurcation conditions are met for the coeffic...

(This article belongs to the Special Issue Recent Advances in Differential Equations and Applications)
  • Article
  • Open Access
9 Citations
3,922 Views
16 Pages

18 November 2020

Carbonated water injection (CWI) is a technology with significant sweep efficiency advantages in enhanced oil recovery (EOR), but the mechanism of the microscopic diffusion of CO2 is still unclear. In this study, the diffusion mechanism of CO2 from t...

  • Article
  • Open Access
24 Citations
7,098 Views
14 Pages

Fuel cell-based anion-exchange membranes (AEMs) and proton exchange membranes (PEMs) are considered to have great potential as cost-effective, clean energy conversion devices. However, a fundamental atomistic understanding of the hydroxide and hydron...

(This article belongs to the Special Issue Anion Exchange Membrane Fuel Cells and Electrolyzers)
  • Article
  • Open Access
1,895 Views
12 Pages

Investigating the Impact of Displacement Cascades on Tritium Diffusion in MgT2: A Molecular Dynamics Study

  • Siwei Zhang,
  • Size Chen,
  • Dan Xiao,
  • Chao Wang and ,
  • Haixia Wang,
  • Yong Zhang and
  • Taosheng Li
  • + 2 authors+ 0 author

25 April 2023

Molecular dynamics methods were utilized to investigate displacement cascades and tritium diffusion in α-MgT2. It was observed from collision cascades results that the stable number of defects weakly depended on temperature, while the peak and...

(This article belongs to the Section Materials Simulation and Design)
  • Article
  • Open Access
34 Citations
5,418 Views
16 Pages

26 October 2019

The diffusion of five flavor organic molecules, including D-limonene, myrcene, ethyl hexanoate, 2-nonanone, and linalool in low density polyethylene (LDPE) film were investigated by combined experimental and molecular dynamics (MD) simulation studies...

  • Article
  • Open Access
11 Citations
3,742 Views
16 Pages

18 May 2022

The influences of thermal-oxidative aging on the diffusion behaviors of oxygen and cyclohexane in nitrile-butadiene rubber (NBR) at the micro-scale were investigated by molecular dynamics (MD) simulation. The two types of aged rubber models were esta...

(This article belongs to the Section Polymer Physics and Theory)
  • Article
  • Open Access
18 Citations
7,691 Views
14 Pages

Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles

  • Pablo M. Blanco,
  • Mireia Via,
  • Josep Lluís Garcés,
  • Sergio Madurga and
  • Francesc Mas

9 March 2017

The high concentration of macromolecules (i.e., macromolecular crowding) in cellular environments leads to large quantitative effects on the dynamic and equilibrium biological properties. These effects have been experimentally studied using inert mac...

(This article belongs to the Special Issue Nonequilibrium Phenomena in Confined Systems)
  • Article
  • Open Access
22 Citations
5,726 Views
11 Pages

12 October 2018

Based on molecular dynamics (MD) simulation, the behaviors and mechanisms of diffusion welding between 304 stainless steel (304 SS) and pure Ni were investigated in the present study. The results show that surface roughness has a significant influenc...

(This article belongs to the Special Issue Molecular Dynamics in Nanomaterials and Nanofluids)
  • Article
  • Open Access
7 Citations
4,019 Views
13 Pages

Due to the threats posed by many volatile organic compounds (VOCs) to human health in indoor spaces via air, the mass transfer characteristics of VOCs are of critical importance to the study of their mechanism and control. As a significant part of th...

(This article belongs to the Section Environmental Science and Engineering)
  • Article
  • Open Access
323 Views
14 Pages

13 July 2026

This paper investigates the long-term behavior of diffusion models in population dynamics before absorption. By establishing the intrinsic ultracontractivity of the associated Markov semigroups, we obtain sharp quantitative estimates for three fundam...

(This article belongs to the Special Issue Advances in Probability Theory and Stochastic Analysis)
  • Article
  • Open Access
3 Citations
3,765 Views
11 Pages

28 August 2022

The thermophysical properties of a refrigerant can be modified via adding metal organic frameworks (MOF) to it. Understanding the adsorption–diffusion process of the mixture in MOFs at the molecular level is important to further improve the eff...

(This article belongs to the Section Energy Systems)
  • Article
  • Open Access
1,322 Views
20 Pages

Molecular Dynamics Simulation of Oxygen Diffusion in (PuxTh1−x)O2 Crystals

  • Dastan D. Seitov,
  • Kirill A. Nekrasov,
  • Danil A. Ustiuzhanin,
  • Anton S. Boyarchenkov and ,
  • Yulia A. Kuznetsova,
  • Sergey S. Pitskhelaury and
  • Sanjeev K. Gupta
  • + 2 authors+ 0 author

25 October 2025

Oxygen diffusion in (PuxTh1−x)O2 mixed oxide crystals was investigated using molecular dynamics simulation. The model systems were isolated nanocrystals of 5460 and 15,960 particles, featuring a free surface. The oxygen diffusion coefficient D...

(This article belongs to the Section Inorganic Crystalline Materials)
  • Article
  • Open Access
4 Citations
6,377 Views
15 Pages

Unveiling Carbon Dioxide and Ethanol Diffusion in Carbonated Water-Ethanol Mixtures by Molecular Dynamics Simulations

  • Mohamed Ahmed Khaireh,
  • Marie Angot,
  • Clara Cilindre,
  • Gérard Liger-Belair and
  • David A. Bonhommeau

19 March 2021

The diffusion of carbon dioxide (CO2) and ethanol (EtOH) is a fundamental transport process behind the formation and growth of CO2 bubbles in sparkling beverages and the release of organoleptic compounds at the liquid free surface. In the present stu...

(This article belongs to the Section Analytical Chemistry)
  • Article
  • Open Access
4 Citations
2,955 Views
15 Pages

3 August 2023

Anaerobic membrane bioreactors (AnMBRs) require biogas recycling to stir the mixed liquid and flush particles away from the membrane surfaces for stable operation. With the fixed gas cycling rate, gas diffuser configuration is an important factor tha...

(This article belongs to the Special Issue Sustainable Technologies by Advanced Anaerobic Wastewater Treatment)
  • Article
  • Open Access
4 Citations
2,215 Views
15 Pages

8 November 2023

Vertical conical diffusers are used in power engineering, chemical industry, technological processes, and other industries. The efficiency of many machines and pieces of equipment is determined by the gas-dynamic and heat-exchange perfection of proce...

(This article belongs to the Section Fluid Science and Technology)
  • Article
  • Open Access
25 Citations
5,659 Views
12 Pages

13 September 2018

Graphene as a type of novel additive significantly enhanced the tribological performance of blended lubricating oil. However, the dispersibility of graphene with long-term stability in lubricating oil is still a challenge. Chemical modification for g...

  • Article
  • Open Access
12 Citations
3,369 Views
16 Pages

24 July 2019

The behaviors of xenon in molybdenum were studied using molecular statics and molecular dynamics simulations. The diffusion mechanism of xenon atoms was studied combining molecular dynamics, nudged elastic band, and temperature-accelerated dynamics m...

(This article belongs to the Section Energy Materials)
  • Article
  • Open Access
31 Citations
5,387 Views
21 Pages

30 September 2019

The diffusion characteristics of CH4, CO2, and N2 in coal are important for the study of CO2-enhanced coalbed methane (CO2-ECBM) recovery, which has become the most potential method for carbon sequestration and natural gas recovery. However, quantita...

(This article belongs to the Section H: Geo-Energy)
  • Article
  • Open Access
6 Citations
3,580 Views
12 Pages

12 April 2023

The effects of compound plasticizer urea/caprolactam (UC) on the diffusion behavior of water in mixtures with poly(vinyl alcohol) (PVA) were studied using a Molecular Dynamics (MD) simulation method. Five simulation models of PVA composites with diff...

(This article belongs to the Special Issue New Developments of Protective Coatings, Organic Polymers, and Surface Analysis)
  • Article
  • Open Access
169 Views
35 Pages

16 October 2026

In this paper, we investigate the spatiotemporal dynamics of a diffusive Leslie–Gower predator–prey model incorporating the Allee effect, prey harvesting, and cooperative hunting among predators. By introducing spatial diffusion into a pr...

(This article belongs to the Section C2: Dynamical Systems)
  • Article
  • Open Access
4 Citations
8,371 Views
22 Pages

29 April 2025

This study utilizes Computational Fluid Dynamics (CFD) to optimize the aerodynamic performance of a Formula 1 (F1) car diffuser, investigating the effects of vane placements, end-flap positions, and other structural modifications. Diffusers are criti...

(This article belongs to the Section E: Applied Mathematics)
  • Article
  • Open Access
4 Citations
3,001 Views
20 Pages

Physically Consistent Self-Diffusion Coefficient Calculation with Molecular Dynamics and Symbolic Regression

  • Dimitrios Angelis,
  • Chrysostomos Georgakopoulos,
  • Filippos Sofos and
  • Theodoros E. Karakasidis

Machine Learning methods are exploited to extract a universal approach for self-diffusion coefficient calculation in molecular fluids. Analytical expressions are derived through symbolic regression for fluids both in bulk and confined nanochannels. T...

(This article belongs to the Section Materials Science)
  • Article
  • Open Access
3 Citations
4,282 Views
14 Pages

Molecular Dynamics Analysis of Hydrogen Diffusion Behavior in Alpha-Fe Bi-Crystal Under Bending Deformation

  • Ken-ichi Saitoh,
  • Haruka Koga,
  • Tomohiro Sato,
  • Masanori Takuma and
  • Yoshimasa Takahashi

22 October 2024

The hydrogen embrittlement (HE) phenomenon occurring in drawn pearlitic steel wires sometimes results in dangerous delayed fracture and has been an important issue for a long time. HE is very sensitive to the amount of plastic deformation applied in...

  • Article
  • Open Access
3 Citations
4,421 Views
10 Pages

14 August 2024

The self-diffusion coefficients of carbonaceous fuels in a supercritical CO2 environment provide transport information that can help us understand the Allam Cycle mechanism at a high pressure of 300 atm. The diffusion coefficients of pure CO2 and bin...

(This article belongs to the Special Issue Advanced Research in Combustion Energy: Optimization, Applications, and Analysis)
  • Article
  • Open Access
5 Citations
1,882 Views
18 Pages

Based on nanoarchitectonics and molecular dynamics simulations, we investigate the structural properties and diffusion pathway of Na atoms in sodium trisilicate over a wide temperature range. The structural and dynamics properties are analyzed throug...

(This article belongs to the Special Issue Molecular Simulation and Modeling)
  • Article
  • Open Access
1,208 Views
13 Pages

23 June 2025

Synthetic ester insulating oils are extensively utilized in power transformers due to their exceptional insulating properties, thermal stability, and environmental compatibility. The dissolved gas analysis (DGA) technique, which is employed to diagno...

(This article belongs to the Special Issue Insulating Materials for Future Power Systems: Performance Analysis, Defect Detection and Condition Assessment)
  • Article
  • Open Access
22 Citations
2,859 Views
14 Pages

30 May 2024

CO2-enhanced coalbed methane recovery (CO2-ECBM) has been demonstrated as an effective enhanced oil recovery (EOR) technique that enhances the production of coalbed methane (CBM) while achieving the goal of CO2 sequestration. In this paper, the grand...

(This article belongs to the Special Issue Shale Gas and Coalbed Methane Exploration and Practice)
  • Article
  • Open Access
16 Citations
2,608 Views
18 Pages

8 May 2024

In recent years, the potential of waste engine oil (WEO) as a rejuvenator for aged asphalt binders has gained significant attention. Despite this interest, understanding WEO’s regeneration mechanism within aged asphalt binders, particularly its...

(This article belongs to the Section Construction and Building Materials)
  • Article
  • Open Access
1 Citations
2,269 Views
13 Pages

3 July 2024

Among the many possible applications of iron phosphate glasses, one of them is that they are promising materials in waste vitrification, particularly for radioactive waste. In vitrified form, waste elements should be permanently immobilized in a glas...

(This article belongs to the Special Issue Advanced Research on Structure, Properties, and Applications of Glass Materials)
  • Article
  • Open Access
19 Citations
3,181 Views
19 Pages

5 December 2023

Carbon dioxide flooding is one of the main methods used to improve crude oil recovery. It can not only improve oil recovery but also reduce greenhouse gas emissions. However, the addition of carbon dioxide makes crude oil become a more complex multip...

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