Soft Matter under Pressure: Pushing Particle–Field Molecular Dynamics to the Isobaric Ensemble
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.3c00186
Abstract: Hamiltonian hybrid particle–field molecular dynamics is a computationally efficient method to study large soft matter systems. In this work, we extend this approach to constant-pressure (NPT) simulations. We reformulate the calculation of internal pressure from… read more here.
Keywords: particle field; molecular dynamics; pressure; soft matter ... See more keywords
Percolating Behavior of Nanoparticles in Block Copolymer Host: Hybrid Particle-Field Simulations
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b07337
Abstract: The hybrid particle–field method is extended to investigate self-assembly and percolating behavior of nanocomposites containing block copolymers and nanoparticles. The self-assembled nanostructures serve as templates to guide organization and distribution of nanoparticles. The percolation threshold… read more here.
Keywords: hybrid particle; block; particle field; percolating behavior ... See more keywords
Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics.
Sign Up to like & getrecommendations! Published in 2017 at "Soft matter"
DOI: 10.1039/c6sm02252a
Abstract: We have extended an existing hybrid MD-SCF simulation technique that employs a coarsening step to enhance the computational efficiency of evaluating non-bonded particle interactions. This technique is conceptually equivalent to the single chain in mean-field… read more here.
Keywords: field; hydrodynamics; particle field; particle ... See more keywords
A Primary-Auxiliary Coupled Neural Network for Three-Dimensional Holographic Particle Field Characterization
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Transactions on Industrial Informatics"
DOI: 10.1109/tii.2022.3151781
Abstract: Particle field measurement is an important topic in many industrial branches. However, there are always complex imaging scenes in the engineering experiments, resulting in severe imaging artifact, noise, and blur, such as the optical holography.… read more here.
Keywords: particle; particle field; field characterization; holographic particle ... See more keywords
The Mutational, Epigenetic, and Transcriptional Effects Between Mixed High-Energy Particle Field (CR) and 7Li-Ion Beams (LR) Radiation in Wheat M1 Seedlings
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Plant Science"
DOI: 10.3389/fpls.2022.878420
Abstract: Ionizing radiation (IR) is an effective approach for mutation breeding. Understanding the mutagenesis and transcriptional profiles induced by different mutagens is of great significance for improving mutation breeding efficiency. Here, using RNA sequencing and methylation-sensitive… read more here.
Keywords: high energy; mixed high; wheat; particle field ... See more keywords