A Numerical Study of an Ellipsoidal Nanoparticles under High Vacuum Using the DSMC Method.

The semiconductor and display manufacturing process requires high precision. Therefore, inside the equipment, fine impurity particles affect the yield rate of production. However, since most manufacturing processes are performed under high-vacuum conditions, it is difficult to estimate particle flow with conventional analytical tools. In this study, high-vacuum flow was analyzed using the direct simulation Monte Carlo (DSMC) method, and various forces acting on fine particles in a high-vacuum flow field were calculated. To compute the computationally intensive DSMC method, GPU-based computer unified device architecture (CUDA) technology was used. The force acting on the particles in the high-vacuum rarefied gas region was verified using the results of previous studies, and the results were derived for the difficult-to-experiment region. An ellipsoid shape with an aspect ratio rather than a spherical shape was also analyzed. The change in drag force according to various aspect ratios was analyzed and compared with the results of the spherical shape under the same flow conditions.

Molecular Weight Dependent Morphological Transitions of Bottlebrush Block Copolymer Particles: Experiments and Simulations.

The molecular weights and chain rigidities of block copolymers can strongly influence their self-assembly behavior, particularly when the block copolymers are under confinement. We investigate the self-assembly of bottlebrush block copolymers (BBCPs) confined in evaporative emulsions with varying molecular weights. A series of symmetric BBCPs, where polystyrene (PS) and polylactide (PLA) side-chains are grafted onto a polynorbornene (PNB) backbone, are synthesized with varying degrees of polymerization of the PNB (NPNB) ranging from 100 to 300. Morphological transitions from onion-like concentric particles to striped ellipsoids occur as the NPNB of the BBCP increases above 200, which is also predicted from coarse-grained simulations of BBCP-containing droplets by an implicit solvent model. This transition is understood by the combined effects of (i) an elevated entropic penalty associated with bending lamella domains of large molecular weight BBCP particles and (ii) the favorable parallel alignment of the backbone chains at the free surface. Furthermore, the morphological evolutions of onion-like and ellipsoidal particles are compared. Unlike the onion-like BBCP particles, ellipsoidal BBCP particles are formed by the axial development of ring-like lamella domains on the particle surface, followed by the radial propagation into the particle center. Finally, the shape anisotropies of the ellipsoidal BBCP particles are analyzed as a function of particle size. These BBCP particles demonstrate promising potential for various applications that require tunable rheological, optical, and responsive properties.

Elucidating the Mechanisms of Two Unique Phenomena Governed by Particle-Particle Interaction under DEP: Tumbling Motion of Pearl Chains and Alignment of Ellipsoidal Particles.

Particle-particle interaction plays a crucial role in determining the movement and alignment of particles under dielectrophoresis (DEP). Previous research efforts focus on studying the mechanism governing the alignment of spherical particles with similar sizes in a static condition. Different approaches have been developed to simulate the alignment process of a given number of particles from several up to thousands depending on the applicability of the approaches. However, restricted by the simplification of electric field distribution and use of identical spherical particles, not much new understanding has been gained apart from the most common phenomenon of pearl chain formation. To enhance the understanding of particle-particle interaction, the movement of pearl chains under DEP in a flow condition was studied and a new type of tumbling motion with unknown mechanism was observed. For interactions among non-spherical particles, some preceding works have been done to simulate the alignment of ellipsoidal particles. Yet the modeling results do not match experimental observations. In this paper, the authors applied the newly developed volumetric polarization and integration (VPI) method to elucidate the underlying mechanism for the newly observed movement of pearl chains under DEP in a flow condition and explain the alignment patterns of ellipsoidal particles. The modeling results show satisfactory agreement with experimental observations, which proves the strength of the VPI method in explaining complicated DEP phenomena.