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Title: Adhesion and Wetting of Soft Nanoparticles on Textured Surfaces: Transition between Wenzel and Cassie-Baxter States

We use a combination of the molecular dynamics simulations and scaling analysis to study interactions between gel-like nanoparticles and substrates covered with rectangular shape posts. Our simulations have shown that nanoparticle in contact with substrate undergo first order transition between Wenzel and Cassie-Baxter state which location depends on nanoparticle shear modulus, the strength of nanoparticle-substrate interactions, height of the substrate posts and nanoparticle size, Rp. There is a range of system parameters where these two states coexist such that the average indentation δ produced by substrate posts changes monotonically with nanoparticle shear modulus, Gp. We have developed a scaling model that describes deformation of nanoparticle in contact with patterned substrate. In the framework of this model the effect of the patterned substrate can be taken into account by introducing an effective work of adhesion, Weff, which describes the first order transition between Wenzel and Cassie-Baxter states. There are two different shape deformation regimes for nanoparticles with shear modulus Gp and surface tension γp. Shape of small nanoparticles with size Rp < γp 3/2Gp-1 Weff-1/2 is controlled by capillary forces while deformation of large nanoparticles, Rp > γp 3/2Gp-1 Weff-1/2
 [1] ;  [2] ;  [3] ;  [1]
  1. Univ. of Connecticut, Storrs, CT (United States). Polymer Program and Inst. of Materials Science
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for integrated Nanotechnologies
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Center for Computational Science
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 0743-7463; 547747
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Additional Journal Information:
Journal Volume: 31; Journal Issue: 5; Journal ID: ISSN 0743-7463
American Chemical Society
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States