Related Experiment Video
Updated: Apr 27, 2026
10:52
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
14.1K
Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquids
Anton Markesteijn1, Sergey Karabasov2, Arturs Scukins3
1Department of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London E1 4NS, UK.
Summary
This study introduces a hybrid fluctuating hydrodynamics approach to model liquid fluctuations across scales. This method accurately captures both microscopic details and macroscopic behaviors in liquid systems.
Area of Science:
- Computational fluid dynamics
- Multiscale modeling
- Statistical mechanics
Background:
- Liquid fluctuations occur at scales where hydrodynamic and atomistic descriptions overlap.
- These fluctuations significantly impact atomistic motions in liquid systems.
- Accurate modeling requires bridging microscopic and macroscopic scales.
Purpose of the Study:
- To introduce a novel hybrid atomistic-fluctuating hydrodynamics approach.
- To enable simultaneous resolution of microscopic details and macroscopic fluctuations.
- To ensure a smooth transition between atomistic and continuum representations.
Main Methods:
- Development of a hybrid atomistic-fluctuating hydrodynamics scheme.
- Utilizing a two-phase hydrodynamics analogy for seamless scale transitions.
- Ensuring strict preservation of mass and momentum conservation laws.
- Numerical implementation for multiscale simulations.
Main Results:
- Demonstrated accurate modeling of liquid fluctuations using the multi-space-time-scale fluctuating hydrodynamics scheme.
- Successfully implemented the novel hybrid approach for simulating liquid argon.
- Validated the preservation of macroscopic conservation laws in the hybrid model.
Conclusions:
- The hybrid atomistic-fluctuating hydrodynamics approach effectively models liquid behavior across scales.
- This method is suitable for simulating complex liquid systems, including biomolecular solutions.
- The approach ensures physical consistency by preserving fundamental conservation laws.
Related Concept Videos
01:34The Fluid Mosaic Model
157.1K
The fluid mosaic model was first proposed as a visual representation of research observations. The model comprises the composition and dynamics of membranes and serves as a foundation for future membrane-related studies. The model depicts the structure of the plasma membrane with a variety of components, which include phospholipids, proteins, and carbohydrates. These integral molecules are loosely bound, defining the cell’s border and providing fluidity for optimal function.
157.1K
01:30Typical Model Studies
809
Fluid mechanics model studies often utilize scaled-down systems to predict fluid behavior in full-scale environments, such as river flows, dam spillways, and structures interacting with open surfaces. Maintaining Froude number similarity in river models is crucial, as it replicates surface flow features like wave patterns and velocities.
809
01:12Modeling and Similitude
835
Scaled modeling is a fundamental technique in engineering, enabling the study of large and complex systems by creating smaller, manageable replicas that recreate critical characteristics of the original. In hydrology and civil infrastructure, for example, scaled models of dams help analyze water flow, turbulence, and pressure. This method allows for accurate predictions of real-world behavior within a controlled environment, significantly reducing the cost and time involved in full-scale...
835
01:19Fluid Mosaic Model
14.5K
Scientists identified the plasma membrane in the 1890s and its principal chemical components (lipids and proteins) by 1915. The model for plasma membrane structure, proposed in 1935 by Hugh Davson and James Danielli, was the first model to be widely accepted in the scientific community. The model was based on the plasma membrane's "railroad track" appearance in early electron micrographs. Davson and Danielli theorized that the plasma membrane's structure resembled a sandwich...
14.5K
01:27Two Components: Liquid–Liquid Systems
169
A pressure-composition phase diagram explicitly describes the behavior of an ideal solution of two volatile liquids under varying pressures and compositions. A pressure-composition diagram has two main curves. The bubble point curve represents the plot of pressure versus liquid mole fraction. It indicates the pressure at which the first bubble of vapor forms from the liquid phase as the system pressure decreases.The dew point curve is the pressure versus vapor mole fraction. It indicates the...
169
01:18Newtonian Fluid: Problem Solving
1.1K
Newtonian fluids exhibit a constant viscosity, meaning their shear stress and shear strain rate are directly proportional. This property ensures a predictable and stable response to applied forces, maintaining a linear relationship between force and flow. Examples include water, air, and light oils, consistently demonstrating this proportional behavior regardless of external conditions.
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...
1.1K