Local Structure and Relaxation Dynamics in the Brush of Polymer-Grafted Silica Nanoparticles
Sign Up to like & getrecommendations! Published in 2018 at "ACS Macro Letters"
DOI: 10.1021/acsmacrolett.8b00223
Abstract: When grafted to spherical nanoparticles at high grafting densities, polymers adopt a variety of conformations. Because of strong confinement by neighboring chains, portions of the polymer near the nanoparticle core are highly stretched in the… read more here.
Keywords: relaxation dynamics; polymer; local structure; structure relaxation ... See more keywords
Projected gradient descent algorithm for ab initio crystal structure relaxation under a fixed unit cell volume
Sign Up to like & getrecommendations! Published in 2024 at "Physical Review B"
DOI: 10.1103/physrevb.109.224108
Abstract: This paper is concerned with $\textit{ab initio}$ crystal structure relaxation under a fixed unit cell volume, which is a step in calculating the static equations of state and forms the basis of thermodynamic property calculations… read more here.
Keywords: unit cell; crystal structure; initio crystal; relaxation fixed ... See more keywords
Simulation of the Refractive Index Variation and Validation of the Form Deviation in Precisely Molded Chalcogenide Glass Lenses (IRG 26) Considering the Stress and Structure Relaxation
Sign Up to like & getrecommendations! Published in 2022 at "Materials"
DOI: 10.3390/ma15196756
Abstract: Precise infrared (IR) optics are core elements of infrared cameras for thermal imaging and night vision applications and can be manufactured directly or using a replicative process. For instance, precision glass molding (PGM) is a… read more here.
Keywords: form deviation; molded chalcogenide; structure; structure relaxation ... See more keywords