Related Experiment Video
Updated: Jan 20, 2026

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
Published on: May 20, 2020
Molecular Dynamics Simulation of the Influence of Nanoscale Structure on Water Wetting and Condensation
Masaki Hiratsuka1, Motoki Emoto2, Akihisa Konno2
1Department of Mechanical Engineering, Kogakuin University, Tokyo 163-8677, Japan. hiratsuka@cc.kogakuin.ac.jp.
Abstract:
Recent advances in the microfabrication technology have made it possible to control surface properties at micro- and nanoscale levels. Functional surfaces drastically change wettability and condensation processes that are essential for controlling of heat transfer. However, the direct observation of condensation on micro- and nanostructure surfaces is difficult, and further understanding of the effects of the microstructure on the phase change is required. In this research, the contact angle of droplets with a wall surface and the initial condensation process were analyzed using a molecular dynamics simulation to investigate the impact of nanoscale structures and their adhesion force on condensation. The results demonstrated the dependence of the contact angle of the droplets and condensation dynamics on the wall structure and attractive force of the wall surface. Condensed water droplets were adsorbed into the nanostructures and formed a water film in case of a hydrophilic surface.
Related Concept Videos
15:05Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
05:57Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations
06:37Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
10:29Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
10:52Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

