A5019766582- Numerical methods in engineering
- Microstructure and mechanical properties
- Carbon Nanotubes in Composites
- Fluid Dynamics Simulations and Interactions
- Nanopore and Nanochannel Transport Studies
- Composite Material Mechanics
- Metal and Thin Film Mechanics
- Aluminum Alloys Composites Properties
- Geotechnical Engineering and Underground Structures
- Graphene research and applications
- Advanced Materials and Mechanics
- Advanced Mathematical Modeling in Engineering
- Advanced Numerical Methods in Computational Mathematics
- nanoparticles nucleation surface interactions
- Model Reduction and Neural Networks
- Lattice Boltzmann Simulation Studies
- Hydrogels: synthesis, properties, applications
- Topology Optimization in Engineering
- Lipid Membrane Structure and Behavior
- High-Velocity Impact and Material Behavior
- Ion-surface interactions and analysis
- Advanced Sensor and Energy Harvesting Materials
- Elasticity and Material Modeling
- Force Microscopy Techniques and Applications
- Boron and Carbon Nanomaterials Research
Dalian University of Technology
2016-2025
Xiamen University
2025
Joint Institute of the Dalian University of Technology and Belarusian State University
2025
State Key Laboratory of Structural Analysis for Industrial Equipment
2007-2021
Shandong Special Equipment Inspection Institute
2021
Mechanics' Institute
2021
Chinese Academy of Sciences
2004-2016
Beijing National Laboratory for Molecular Sciences
2016
Institute of Chemistry
2016
Dalian University
2006-2015
Nanoparticle penetration into cell membranes is an interesting phenomenon that may have crucial implications on the nanoparticles' biomedical applications. In this paper, a coarse-grained model for gold nanoparticles (AuNPs) developed (verified against experimental data available) to simulate their interactions with lipid membranes. Simulations reveal AuNPs different signs and densities of surface charges spontaneously adhere bilayer or penetrate interior. The potential mean force...
The mutual effects of two crucial features carbon nanotubes (CNTs) (surface and confinement) on the temperature-dependent water diffusion are studied through molecular dynamics simulations. A two-stage mechanism is detected in CNTs diameter smaller than 12.2 Å, which becomes obscure as temperature increases. This peculiar phenomenon can be ascribed to cooperation small confinement periodic surface. coefficient confined exhibits a nonmonotonic dependence size an unexpected increase inside...
Understanding the interactions of gold nanoparticles (AuNPs) with cellular compartments, especially cell membranes, is fundamental importance in obtaining their control biomedical applications. An effort made this paper to investigate 2.2 nm core AuNPs negative model bilayer membranes by coarse-grained (CG) molecular dynamics (MD) simulation. The CG lipid was taken from Marrink et al. (J. Phys. Chem. B2004, 108, 750–760), whereas developed on basis both atomistic MD simulations and...
Soft actuators with variable signal/color play an important role in the fields of targeted locomotion, artificial phototropism, drug screening, cargo transportation, and interactive sensing. The ability to achieve rapid response, large curvature, wide bending angle, full-color display continues be unresolved challenge for actuating materials. Inspired by angle-dependent structural color broad-tailed hummingbird Janus wettability lotus leaf, a photonic soft actuator (JPSA) was fabricated...
The length, loading rate and thermal effects on the torsional response of hollow copper nanowires are investigated with molecular dynamics simulation. Evolution atomic configuration is studied, which shows that partial dislocations nucleated from surfaces accommodate plastic deformation under torsion. With increase in angle, necking appears corresponding cross-section transforms a square to solid circle. Meanwhile, rearrangement being amorphous fcc occurs, becomes more obvious at higher...
Coarse-grained (CG) molecular dynamics (MD) simulations were carried out to investigate the of 2.2 nm monolayer-protected gold nanoparticles (AuNPs) in solvents. The effects ligand length, terminal chemistry, solvents, and temperature examined. It was found that AuNPs with unmodified alkanethiol ligands formed stable aggregates water time scale hundreds nanoseconds (eight nanoparticles). In a particular case, aggregated into an infinite, one-dimensional chainlike assembly instead clusters...
The influences of the diameter (size) single-walled carbon nanotubes (SWCNTs) and temperature on viscosity water confined in SWCNTs are investigated by an "Eyring-MD" (molecular dynamics) method. results suggest that relative increases with increasing temperature, whereas size-dependent trend is almost independent temperature. Based computational results, a fitting formula proposed to calculate size- temperature- dependent viscosity, which useful for computation nanoflow. To demonstrate...
Controllable directional transport of liquid droplets on a functionalized surface has been challenge in the field microfluidics because it does not require energy supply, and physical mechanism such self-driving exhibits extraordinary contribution to fundamental understanding some biological processes design microfluidic apparatus. In this paper, we report novel microstructure that can realize unidirectional mercury (Hg) droplet graphene-covered copper (Cu) substrate with three-dimensional...
A corrected second-order slip boundary condition is proposed to solve the Navier-Stokes equations for fluid flows confined in parallel-plate nanochannels. Compared with classical by Beskok and Karniadakis, not only dependent on Knudsen number tangential momentum accommodation coefficient, but also relative position of surface layer. For slip-flow regime less than 0.3, Couette cell investigated using molecular-dynamics simulations verify Newtonian flow behaviors examining constitutive...
A complete understanding of the interactions between nanoparticles (NPs) and cell membrane is essential for potential biomedical applications NPs. The rotation NP during cellular wrapping process great biological significance has been widely observed in experiments simulations. However, underlying mechanisms their influences on behavior are far from being fully understood. Here, by coupling with diffusion receptors, we set up a model to theoretically investigate pathway internalization rate...