Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 18 of 18 for “"Dissipative Particle Dynamics"”.
-
Rheological characterization of polymers via dissipative particle dynamics
Dissipative particle dynamics (DPD) is a mesoscale simulation technique which uses soft potentials between large particles to reproduce liquid behavior. In form, DPD is similar to molecular dynamics, as all matter is represented by point particles which interact with each other via, pairwise …
-
On the boundary conditions for dissipative particle dynamics (DPD)
Dissipative Particle Dynamics is a mesoscale simulation technique that is widely used in simulation of complex fluids. This method simulates the fluid in the scales between microscopic and macroscopic scales. In this thesis, we aim at developing a new wall model in which there is virtually no …
-
Exploring Dissipative Particle Dynamics in the Modeling of Simple and Structured Fluids
L'abstract è presente nell'allegato / the abstract is in the attachment
-
Mesoscopic simulations of electrohydrodynamic phenomena
Mesoskopische Simulationsmethoden wie Dissipative Particle Dynamics erlauben die Untersuchung eines Soft-Matter-Systems auf langen Zeit- und großen Längenskalen. Verschiedene elektrokinetische Effekte wie der elektroosmotische Fluss, Polyelektrolyt-Dynamik in freier Salzlösung und Elektrophorese …
-
Disentangle model differences and fluctuation effects in DPD simulations of diblock copolymers
In the widely used dissipative particle dynamics (DPD) simulations 1, polymers are commonly modeled as discrete Gaussian chains interacting with soft, finite-range repulsions. In the original DPD simulations of microphase separation of diblock copolymer melts by Groot and Madden 2 , the simulation …
-
A Mesoscale Dynamics study of the phases in surfactant-water ternary systems
A mesoscale dynamics simulation using a Dissipative Particle Dynamics regime was developed to investigate the ability of small molecules to control phase structures in non-ionic surfactant-water systems. The ability to control phase structure has positive implications for potential templating …
-
An evaluation of noise reduction algorithms for particle-based fluid simulations in multi-scale applications
Particle-based fluid simulations can be utilised to study phenomena ranging from galaxyscale, using smoothed particle hydrodynamics, plasma physics with particle-in-cell methods, aerospace re-entry problems, using direct simulation Monte Carlo, down to chemical, biological and fluid properties at …
-
Molecular simulation method development and implementation for fuel cell catalyst layers
… of the ORR on the surface of platinum nanoparticles, but also the thin ionomer film inhibiting mass transport of protons, oxygen or water. The aim of this thesis is to understand the structure of thin ionomer films in the catalyst layer. To this end, we employ mesoscale dissipative particle …
-
A Particle-Based Multi-Scale Simulation Procedure within the Material Point Method Framework
… loading conditions. In this dissertation, a particle-based multi-scale simulation procedure is proposed with a concurrent link between the Dissipative Particle Dynamics (DPD) method and the Material Point Method (MPM), and a hierarchical bridge from Molecular Dynamics (MD) to DPD. …
-
Computational modelling of interfacial failure behaviours in polymer–metal joints
… as density functional theory (DFT), molecular dynamics (MD), and dissipative particle dynamics (DPD) methods. Our calculations provide support to a valuable design principle that increasing polymer stiffness can improve the strength of polymer–metal/metal oxide joints even when interfacial …
-
A universal approach to stabilize water-oil interface via surfactant self-assembly
… on the adsorption of colloidal or surface-active particles and polymeric complexion, there have been no studies concerning the self-assembly of small molecules like surfactants. Therefore, in this study: First, a novel liquid-in-liquid 3D printing approach is developed to successfully shape …
-
A SSIMPLE Approach to Surfactant Self-Assembly using DPD Simulations
… choice and coarse grain (CG) approaches such as dissipative particle dynamics (DPD), where molecule fragments are merged into a single entity, are preferred. For CG simulations, finding the correct interaction between beads is a crucial step to obtain the correct behaviour of the simulated …
-
Near-Field Hydrodynamics of Optically Trapped Colloids in Simple and Complex Fluids
The thermal fluctuations of colloidal particles change drastically near a symmetry-breaking interface due to long-range hydrodynamic interactions. In this thesis, I investigate this phenomenon through both experiments and simulations. Using Optical Tweezers (OTs), I measured the correlated thermal …
-
Dynamic behavior of healthy and malaria infected human red blood cells
… model of microvascular flow using dissipative particle dynamics (DPD). This combination of modeling and experiments give new insight into the relative roles of fluid and membrane viscosity in microvascular flow. The results of this work may be used in the development of new …
-
Interfacial self-assemblies of surfactants at water-oil interfaces
… for such endeavors where surface-active nanoparticles or molecules can accumulate and self-assemble. In this thesis, we focus on self-assembly of surfactants which induce formation of nano- or microstructures at the interface between the aqueous solution of a surfactant (ionic or non-ionic) …
-
Design of 3D Complex Nanostructures Using Block Copolymer Self-Assembly
… evaluated through both experiments and dissipative particle dynamics (DPD) simulations. The DPD model, a particle-based method, is reparametrized to accurately reproduce all the experimental findings in the MMDSA experiments and provide an accurate description of the self-assembled phase …
-
Enzymatic Polymerization of High Molecular Weight DNA
… behaviors agree with predictions from dissipative particle dynamics simulations as well as scaling law for polyelectrolyte block copolymers.</p><p>In summary, we developed an enzymatic synthesis method (i.e., TcEP) that enables the facile synthesis of high molecular weight …
-
Interactions of Cellulose Nanocrystals in Colloidal and Composite Systems
… but crucially on the interactions between particles. These interactions are well-known, yet a complete understanding to enable the full exploitation of the properties attainable in CNC-based materials is lacking. The principal emphasis of this dissertation lies in further improving our …