Mesoscale simulations of radiation damage effects in Materials: A SEAKMC perspective
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.03.054
Abstract: Abstract Radiation damage presents a unique challenge for material simulations, with processes ranging from picoseconds to decades in time and nanometers to meters in length. Particularly, the understanding of many processes and fundamental mechanisms at… read more here.
Keywords: mesoscale simulations; radiation damage; effects materials; radiation ... See more keywords
Mesoscale Simulations of Structure Formation in Polyacrylonitrile Nascent Fibers Induced by Binary Solvent Mixture
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24119312
Abstract: Polyacrylonitrile (PAN) is widely used as a raw material for the production of high-modulus carbon fibers, the internal structure of which is directly affected by the spinning of the precursor. Although PAN fibers have been… read more here.
Keywords: structure; simulations structure; pan; mesoscale simulations ... See more keywords
Mesoscale Simulations of Polymer Solution Self-Assembly: Selection of Model Parameters within an Implicit Solvent Approximation
Sign Up to like & getrecommendations! Published in 2021 at "Polymers"
DOI: 10.3390/polym13060953
Abstract: Coarse-grained modeling is an outcome of scientific endeavors to address the broad spectrum of time and length scales encountered in polymer systems. However, providing a faithful structural and dynamic characterization/description is challenging for several reasons,… read more here.
Keywords: mesoscale simulations; polymer solution; model parameters; selection ... See more keywords