4.7 Article

Shape Transformations and Self-Assembly of Hairy Particles under Confinement

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Adsorption of Polymer-Tethered Particles on Solid Surfaces

Tomasz Staszewski et al.

Summary: In this study, we use coarse-grained molecular dynamics simulations to investigate the behavior of polymer-tethered particles on solid surfaces. We analyze changes in the internal structure of single particles with increasing strength of the particle-substrate interactions and find that the adsorbed particles are symmetric in a plane parallel to the substrate but asymmetric in the vertical direction. We further examine the adsorption of hairy nanoparticles dispersed in systems of different initial particle densities and show how the strength of the particle-substrate interactions affects the structure of the adsorbed phase, particle-wall potential, excess adsorption isotherms, and real adsorption isotherms.

JOURNAL OF PHYSICAL CHEMISTRY B (2022)

Article Computer Science, Interdisciplinary Applications

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson et al.

Summary: LAMMPS, a classical molecular dynamics simulator released as an open source code in 2004, has gained popularity for its wide variety of particle interaction models, platform compatibility, and user control over simulation details. With contributions from numerous developers, it has grown from 50,000 lines of code to a million today, showcasing new capabilities like dynamic load balancing and quantum-accuracy machine learning interatomic potentials.

COMPUTER PHYSICS COMMUNICATIONS (2022)

Article Chemistry, Physical

Interplay between surfactant self-assembly and adsorption at hydrophobic surfaces: insights from dissipative particle dynamics

Karel Sindelka et al.

Summary: The study investigates the self-organisation of aqueous surfactants into micelles in bulk phase and their adsorption behavior on a hydrophobic surface using dissipative particle dynamics simulations. It is found that the alkyl tail length primarily affects the formation of micelles in bulk, while both alkyl tail and head chain lengths influence the adsorption behavior on the surface.

MOLECULAR PHYSICS (2021)

Article Chemistry, Multidisciplinary

The Interplay of Ligand Properties and Core Size Dictates the Hydrophobicity of Monolayer-Protected Gold Nanoparticles

Alex K. Chew et al.

Summary: The hydrophobicity of monolayer-protected gold nanoparticles is primarily determined by ligand end group chemistry for large nanoparticles, while interactions between long alkanethiol ligands lead to spatial variations in hydrophobicity for small nanoparticles. However, changing ligand structure, ligand chemistry, and gold core size can modulate nanoparticle hydrophobicity, emphasizing the need to consider both physical and chemical properties when predicting interactions with biomolecules.

ACS NANO (2021)

Article Biochemistry & Molecular Biology

Adsorption on Ligand-Tethered Nanoparticles

Malgorzata Borowko et al.

Summary: Coarse-grained molecular dynamics simulations were used to study adsorption on ligand-tethered particles. The study found that the number of ligands, their length, the size of the core, and the interaction parameters all affect the excess adsorption isotherm, the thickness of the polymer corona, and its morphology. The research also revealed the adsorption-induced structural transitions of polymer coatings and compared the behavior of systems involving curved and flat brushes.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)

Article Chemistry, Physical

Gelation of waxy crude oil system with ethylene-vinyl acetate on solid surface: A molecular dynamics study

Qibin Li et al.

Summary: This study used molecular dynamics simulations to investigate the effects of pour point depressant on the gelation of waxy oil, revealing the mechanism of wax deposition. Although the pour point depressant could not prevent the crystallization of wax molecules, it reduced the pour point of the oil system and changed the shape of wax crystals.

JOURNAL OF MOLECULAR LIQUIDS (2021)

Article Physics, Condensed Matter

Effect of chemical design of grafted polymers on the self-assembled morphology of polymer-tethered nanoparticles in nanotubes

Takumi Sato et al.

Summary: The self-assembling structure of polymer-tethered nanoparticles is influenced by the chemical properties of the polymers, leading to different assembly morphologies depending on the type of grafted polymer. By changing the chemical properties of the polymer, the thermodynamic conditions under which the phases appear can be altered, providing a theoretical framework for controlling the morphologies of self-assembled polymer-tethered nanoparticles.

JOURNAL OF PHYSICS-CONDENSED MATTER (2021)

Article Chemistry, Physical

Self-Assembly of Amphiphilic Janus Particles Confined between Two Solid Surfaces

Lukasz Baran et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Physical

Structural Changes in Hairy Nanoparticles-Insights from Molecular Simulations

Tomasz Staszewski

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Multidisciplinary

Shape control of soft patchy nanoparticles under confinement

Ivonne Elizabeth Ventura Rosales et al.

NANOSCALE (2020)

Article Chemistry, Physical

Adsorption-induced co-assembly of hairy and isotropic particles

Tomasz Staszewski et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Self-assembly of rod-coil copolymer tethered disks on surfaces

Wojciech Rzysko et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2019)

Article Chemistry, Physical

Self-assembly of Janus disks confined in a slit

L. Baran et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

Article Chemistry, Physical

Adsorption of hairy particles with mobile ligands: Molecular dynamics and density functional study

M. Borowko et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Molecular dynamics simulations of mono-tethered particles at solid surfaces

Tomasz Staszewski et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Influence of Chain Length and Branching on the Structure of Functionalized Gold Nanoparticles

Amal Kanta Giri et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Polymer Science

Structure and Entanglement Network of Model Polymer-Grafted Nanoparticle Monolayers

Jeffrey G. Ethier et al.

MACROMOLECULES (2018)

Article Biophysics

Gold nanoparticles with patterned surface monolayers for nanomedicine: current perspectives

Paolo Pengo et al.

EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2017)

Article Chemistry, Multidisciplinary

Hybrid magnetic iron oxide nanoparticles with tunable field-directed self-assembly

Vikash Malik et al.

NANOSCALE (2017)

Article Chemistry, Physical

On the orientation of N2 and CO2 molecules adsorbed in slit pore models with oxidised graphitic surface

Anastasios Gotzias et al.

MOLECULAR SIMULATION (2016)

Article Chemistry, Physical

Self-assembly of polymer-grafted nanoparticles in solvent-free conditions

Alexandros Chremos et al.

SOFT MATTER (2016)

Article Chemistry, Physical

Self-assembly of Janus nanoparticles with a hydrophobic hemisphere in nanotubes

Yusei Kobayashi et al.

SOFT MATTER (2016)

Article Chemistry, Physical

Anisotropic magnetic particles in a magnetic field

Ilya Martchenko et al.

SOFT MATTER (2016)

Article Multidisciplinary Sciences

Spatial confinement governs orientational order in patchy particles

Yasutaka Iwashita et al.

SCIENTIFIC REPORTS (2016)

Article Chemistry, Physical

Conformational Equilibria of Organic Adsorbates on Nanostructures in Aqueous Solution: MD Simulations

Amal Kanta Giri et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Physical

Coating thickness and coverage effects on the forces between silica nanoparticles in water

K. Michael Salerno et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Effects of Functional Groups and Ionization on the Structure of Alkanethiol-Coated Gold Nanoparticles

Dan S. Bolintineanu et al.

LANGMUIR (2014)

Article Chemistry, Physical

Self-assembly of polymer-grafted nanoparticles in thin films

Thomas Lafitte et al.

SOFT MATTER (2014)

Article Chemistry, Multidisciplinary

Self-Assembly of Heterogeneously Charged Particles under Confinement

Emanuela Bianchi et al.

ACS NANO (2013)

Article Chemistry, Physical

Self-Assembly of Polymer Brush-Functionalized Inorganic Nanoparticles: From Hairy Balls to Smart Molecular Mimics

Matthew G. Moffitt

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Polymer Science

Advantages of Orthogonal Folding of Single Polymer Chains to Soft Nanoparticles

Angel J. Moreno et al.

MACROMOLECULES (2013)

Article Materials Science, Multidisciplinary

Hairy nanoparticle assemblies as one-component functional polymer nanocomposites: opportunities and challenges

Nikhil J. Fernandes et al.

MRS COMMUNICATIONS (2013)

Article Chemistry, Physical

Surface adsorption of colloidal brushes at good solvents conditions

Alberto Striolo

JOURNAL OF CHEMICAL PHYSICS (2012)

Review Polymer Science

Polymer brushes on flat and curved surfaces: How computer simulations can help to test theories and to interpret experiments

K. Binder et al.

JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS (2012)

Article Chemistry, Multidisciplinary

Fully Atomistic Simulations of the Response of Silica Nanoparticle Coatings to Alkane Solvents

Brandon L. Peters et al.

LANGMUIR (2012)

Article Chemistry, Physical

Communication: Shifted forces in molecular dynamics

Soren Toxvaerd et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Chemistry, Physical

Adsorption of star polymers: computer simulations

Alexandros Chremos et al.

SOFT MATTER (2010)

Review Chemistry, Multidisciplinary

Chromophore-functionalized gold nanoparticles

KG Thomas et al.

ACCOUNTS OF CHEMICAL RESEARCH (2003)