Transcending the Trade-off in Refractive Index and Abbe Number for Highly Refractive Polymers: Synergistic Effect of Polarizable Skeletons and Robust Hydrogen Bonds [0.03%]
突破高折射率聚合物阿贝数的权衡限制：可极化骨架和强氢键的协同效应
Seigo Watanabe,Teru Takayama,Kenichi Oyaizu
Seigo Watanabe
High-refractive-index polymers (HRIPs) are attractive materials for the development of optical devices with high performances. However, because practical components and structures for HRIPs are limited from the viewpoint of synthetic techni...
ACS Polymers Au Recognizes 2022 Rising Stars in Polymers [0.03%]
ACS Polymer Au评选2022年度“聚合物领域新星”奖项获奖者
Arthi Jayaraman,Harm-Anton Klok
Arthi Jayaraman
Benjamin A Suslick,Harm-Anton Klok,Jeffrey S Moore
Benjamin A Suslick
Strategies for the Development of Conjugated Polymer Molecular Dynamics Force Fields Validated with Neutron and X-ray Scattering [0.03%]
基于中子和X射线散射验证的共轭聚合物分子动力学力场的发展策略
Caitlyn M Wolf,Lorenzo Guio,Sage Scheiwiller et al.
Caitlyn M Wolf et al.
Conjugated polymers (CPs) enable a wide range of lightweight, lower cost, and flexible organic electronic devices, but a thorough understanding of relationships between molecular structure and dynamics and electronic performance is critical...
Fracture in Silica/Butadiene Rubber: A Molecular Dynamics View of Design-Property Relationships [0.03%]
二氧化硅/丁二烯橡胶的断裂：设计与性能关系的分子动力学观点
Alessio David,Ugo Tartaglino,Mosè Casalegno et al.
Alessio David et al.
Despite intense investigation, the mechanisms governing the mechanical reinforcement of polymers by dispersed nanoparticles have only been partially clarified. This is especially true for the ultimate properties of the nanocomposites, which...
A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture [0.03%]
环氧树脂交联固化到变形破坏的分子模拟研究
Julian Konrad,Robert H Meißner,Erik Bitzek et al.
Julian Konrad et al.
We model bond formation and dissociation processes in thermosetting polymer networks from molecular dynamics simulations. For this, a coarsened molecular mechanics model is derived from quantum calculations to provide effective interaction ...
Machine Learning Enhanced Computational Reverse Engineering Analysis for Scattering Experiments (CREASE) to Determine Structures in Amphiphilic Polymer Solutions [0.03%]
用于 amphiphilic聚合物溶液散射实验的机器学习增强计算反向工程分析（CREASE）以确定结构
Michiel G Wessels,Arthi Jayaraman
Michiel G Wessels
In this article, we present a machine learning enhancement for our recently developed "Computational Reverse Engineering Analysis for Scattering Experiments" (CREASE) method to accelerate analysis of results from small angle scattering (SAS...
Arthi Jayaraman,Harm-Anton Klok
Arthi Jayaraman
Ryan Sayko,Michael Jacobs,Andrey V Dobrynin
Ryan Sayko
We apply a scaling theory of semidilute polymer solutions to quantify solution properties of polysaccharides such as galactomannan, chitosan, sodium carboxymethyl cellulose, hydroxypropyl methyl cellulose, methyl cellulose, xanthan, apple p...
Stimuli-Induced Architectural Transition as a Tool for Controlling the Enzymatic Degradability of Polymeric Micelles [0.03%]
刺激触发的纳米结构转变用于调控聚合物胶束的酶降解性
Gadi Slor,Shahar Tevet,Roey J Amir
Gadi Slor
Enzyme-responsive polymeric micelles hold great potential as drug delivery systems due to the overexpression of disease-associated enzymes. To achieve selective and efficient delivery of their therapeutic cargo, micelles need to be highly s...