Statistical, Nonlinear, and Soft Matter Physics Commons^™

Source Data For Xueyan Feng, Michael S. Dimitriyev & Edwin L. Thomas, "Soft, Malleable Double Diamond Twin", Xueyan Feng, Michael S. Dimitriyev, Edwin L. Thomas

Data and Datasets

Source data and code for Xueyan Feng, Michael S. Dimitriyev & Edwin L. Thomas, "Soft, malleable double diamond twin"

Supplementary Code For "Chain Trajectories, Domain Shapes And Terminal Boundaries In Block Copolymers", Benjamin R. Greenvall, Michael S. Dimitriyev, Gregory M. Grason

Data and Datasets

Supplementary code used for the publication "Chain trajectories, domain shapes and terminal boundaries in block copolymers" by Benjamin R. Greenvall, Michael S. Dimitriyev, and Gregory M. Grason. Includes code for extracting and analyzing polar order and chain trajectories from self-consistent field calculations of block copolymers.

Modeling Chain Packing In Complex Phases Of Self-Assembled Block Copolymers, Anugu Abhiram Reddy

Doctoral Dissertations

Block copolymer (BCP) melts undergo microphase seperation and form ordered soft matter crystals with varying domain shapes and symmetries. We study the con- nection between diblock copolymer molecular designs and thermodynamic selection of ordered crystals by modeling features of variable sub-domain geometry filled with individual blocks within non-canonical sphere-like and network phases that together with layered, cylindrical and canonical spherical phases forms “natural forms” of self- assembled amphiphilic soft matter at large. First, we present a model to revise our understanding of optimal Frank-Kasper sphere-like morphologies by advancing the- ory to account for varying domain volumes. We then develop generic …

Distortion-Controlled Isotropic Swelling And Self-Assembly Of Triply-Periodic Minimal Surfaces, Carlos M. Duque

Doctoral Dissertations

In the first part of this thesis, I propose a method that allows us to construct optimal swelling patterns that are compatible with experimental constraints. This is done using a greedy algorithm that systematically increases the perimeter of the target surface with the help of minimum length cuts. This reduces the areal distortion that comes from the changing Gaussian curvature of the sheet. The results of our greedy cutting algorithm are tested on surfaces of constant and varying Gaussian curvature, and are additionally validated with finite thickness simulations using a modified Seung-Nelson model. In the second part of the thesis, …

Useable Coarse-Grained Models For Semiconducting Polymers And Thermosets, Michael Montgomery Henry

Boise State University Theses and Dissertations

This work aims to inform the formulation and processing of polymer mixtures through the use of models that have minimally sufficient complexity. Models with minimal complexity are easier to develop, understand, explain, and extend, all of which underpin model validation, verification, and reproducibility.

We develop simplified models for two different material systems, semiconducting polymers and thermosets. With the relatively low cost of predicting morphologies enabled by these models, we investigate structure-property-processing relationships in record system sizes and combinatorial parameter spaces. The insight from these models lays the foundation for improving the efficiency of organic solar cells and air travel.

The …

Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu

LSU Doctoral Dissertations

The ability to explore and predict metastable structures of hybrid self-assemblies is of central importance for the next generation of advanced materials with novel properties. As compared to their thermodynamically stable forms, the kinetically stabilized materials show improved functionality potentially over their stable counterparts. The self-assembly processes usually originate from weak intermolecular interactions, involving a dynamic competition between attractive and repulsive interactions. These weak forces, including van der Waals (vdW), electrostatic interaction and the hydrogen bonding (H-bonding), can be tuned by external stimuli, e.g., confinement, temperature and ionization, and consequently driving hybrid materials into different configurations. It is challenging to …

Reactive And Stimuli-Responsive Sulfonium-Based Polymer Zwitterions, Cristiam Santa Chalarca

Doctoral Dissertations

This dissertation describes the synthesis and characterization of novel monomers and (co)polymer zwitterions that incorporate trialkylsulfonium cations. The novel materials presented herein constitute a unique type of polymer zwitterions that exhibit salt- and temperature-dependent water solubility as well as inherent reactivity. The behavior of these polymers in aqueous solutions, as nanostructures, and at liquid-liquid interfaces was studied; in all cases, the inherent reactivity of the polymers was harnessed towards the fabrication of novel polymers and soft materials. Following an introductory chapter, Chapter 2 describes the synthesis of sulfonium sulfonate monomers and polymer zwitterions. Both styrenic and methacrylic monomers were synthesized …

Self-Assembling Networks In Soft Materials, Ishan Prasad

Doctoral Dissertations

This dissertation presents a study on heterogeneous network structure in two distinct classes of soft material systems: disordered assemblies of jammed binary spheres and ordered morphologies of block copolymer melts. The aim is to investigate the combined role of geometry and entropy in structure formation of soft matter assemblies. First, we investigate the influence of particle size asymmetry on structural properties of jammed binary sphere mixtures. We give evidence of two distinct classes of materials separated by a critical size ratio that marks the onset of a sharp transition due to simultaneous jamming of a sub-component of the packing. We …

Assembly Of Particles Onto Rigid Cylinders And Flexible Membranes: Probing Effects Of Surface Curvature And Deformation, Derek Wood

Doctoral Dissertations

In this thesis we explore two specific topics within the broad field of particle adhesion. First, we examine the effect of substrate shape and geometry on the self assembly of adsorbed particles, by performing molecular dynamics simulations of interacting particles constrained to the surface of cylinders of varying diameters. We find the diameter of the cylinder imposes a constraint on the shape and crystallographic orientation of the self-assembled lattice, essentially determining the optimal arrangement of particles a priori. We propose a simple one-dimensional model to explain the optimal arrangement of particles as a function of the particle interaction potential …

Contact Angles And Contact Lines Around Particles At Isotropic And Anisotropic Liquid Interfaces, Nesrin Senbil

Doctoral Dissertations

Liquid interfaces, capillarity and self-assembly of particles at interfaces are important in nature and technology. When a particle is adsorbed to a liquid interface, the contact line of the particle with the liquid interface and the associated contact angle are the crucial parameters that drive assembly of the particles. We looked at how the shape of the liquid interface and the shape of the particle affect the contact angle and the shape of the contact line. We used millimeter-sized PDMS-coated glass spheres and measured the contact angles at isotropic (planar) and anisotropic interfaces (saddle and cylindrical in shape). Anisotropy of …