Related papers: Active Learning for Predicting Polymer/Plasticizer…
Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine learning models for the optimal selection of physical…
Active learning (AL) plays a critical role in materials science, enabling applications such as the construction of machine-learning interatomic potentials for atomistic simulations and the operation of self-driving laboratories. Despite its…
The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…
The coupled dynamics of entangled polymers which span a broad time and length scales govern the unique viscoelastic properties of polymers. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes…
A central goal of Introductory Physics for the Life Sciences (IPLS) is to prepare students to use physics to model and analyze biological situations, a skill of increasing importance for their future studies and careers. Here we report our…
An active learning (AL) algorithm seeks to construct an effective classifier with a minimal number of labeled examples in a bootstrapping manner. While standard AL heuristics, such as selecting those points for annotation for which a…
Geopolymers present a sustainable alternative to conventional binders, however, their commercial viability is hindered by a lack of standardised methods for preparing stabile activator solutions; alkaline feedstocks critical to geopolymer…
Numerical modeling of viscoelastic properties is critical to developing the structure-property relationship of polymer nanocomposites. While it is recognized that the altered polymer region near filler particles, the interphase,…
The presented study highlights the efficiency of employing a KrF excimer laser to create diverse types of periodic nanostructures (LIPSS - laser induced periodic surface structures) on polyether ether ketone (PEEK) and polyethylene…
Contemporary continual learning approaches typically select prompts from a pool, which function as supplementary inputs to a pre-trained model. However, this strategy is hindered by the inherent noise of its selection approach when handling…
We propose a predictive model for the mechanical behavior of biodegradable polymers of interest for biomedical applications. Starting from a detailed description of the network behavior of the copolymer material, taking care of bonds…
Predicting the stress-strain behaviors of additively manufactured materials is crucial for part qualification in additive manufacturing (AM). Conventional physics-based constitutive models often oversimplify material properties, while…
The properties of the interface in a phase-separated solution of polymers with different degrees of polymerization and Kuhn segment lengths are calculated. The starting point is the planar interface, the profile of which is calculated in…
The functionality of adhesives relies on their response under the application of a load. Yet, it has remained a challenge to quantitatively relate the macroscopic dynamics of peeling to the dissipative processes inside the adhesive layer.…
Active learning has been proposed to reduce data annotation efforts by only manually labelling representative data samples for training. Meanwhile, recent active learning applications have benefited a lot from cloud computing services with…
Semiflexible polymers in concentrated lyotropic solution are studied within a bead-spring model by molecular dynamics simulations, focusing on the emergence of a smectic A phase and its properties. We systematically vary the density of the…
We study unbiased translocation of a flexible polymer chain through a membrane pore under the influence of active noise and steric exclusion using Langevin dynamics simulations. The active noise is incorporated by introducing nonchiral and…
Many materials containing colloids or polymers are polydisperse: They comprise particles with properties (such as particle diameter, charge, or polymer chain length) that depend continuously on one or several parameters. This review…
The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded…
Through extensive molecular simulations we determine a phase diagram of attractive, flexible polymer chains in two and three dimensions. A surprisingly rich collection of distinct crystal morphologies appear, which can be finely tuned…