Multi-scale computational analysis of unidirectional carbon fiber reinforced polymer composites under various loading conditions
Sign Up to like & getrecommendations! Published in 2018 at "Composite Structures"
DOI: 10.1016/j.compstruct.2018.05.025
Abstract: Abstract A multi-scale computational analysis based on representative volume element (RVE) modeling and molecular dynamics (MD) simulations is developed to investigate the microscopic failure mechanisms of unidirectional (UD) carbon fiber reinforced polymer (CFRP) composites. The… read more here.
Keywords: carbon fiber; unidirectional carbon; scale computational; computational analysis ... See more keywords
Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H2/N2 Separations
Sign Up to like & getrecommendations! Published in 2019 at "ACS Sustainable Chemistry & Engineering"
DOI: 10.1021/acssuschemeng.9b01020
Abstract: Several thousands of metal organic frameworks (MOFs) have been reported to date, but the information on H2/N2 separation performances of MOF membranes is currently very limited in the literature. We report the first large-scale computational… read more here.
Keywords: large scale; mof; metal organic; scale computational ... See more keywords
Trans-Scale Computational Model for Fatigue Behavior Simulation of Orthotropic Steel Decks
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Aerospace Engineering"
DOI: 10.1061/(asce)as.1943-5525.0000845
Abstract: AbstractA new three-dimensional trans-scale crack growth model, developed from the microscale to macroscale, is presented based on the concept of restraining stress zone. It aims to simulate the gr... read more here.
Keywords: computational model; model fatigue; trans scale; fatigue behavior ... See more keywords
Nested active learning for efficient model contextualization and parameterization: pathway to generating simulated populations using multi-scale computational models
Sign Up to like & getrecommendations! Published in 2021 at "SIMULATION"
DOI: 10.1177/0037549720975075
Abstract: There is increasing interest in the use of mechanism-based multi-scale computational models (such as agent-based models (ABMs)) to generate simulated clinical populations in order to discover and evaluate potential diagnostic and therapeutic modalities. The description… read more here.
Keywords: scale computational; model; nested active; multi scale ... See more keywords
Large-Scale Computational Discovery of Binding Motifs in tRNA Fragments
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2021.647449
Abstract: Accumulating evidence has suggested that tRNA-derived fragments (tRFs) could be loaded to Argonaute proteins and function as regulatory small RNAs. However, their mode of action remains largely unknown, and investigations of their binding mechanisms have… read more here.
Keywords: large scale; computational discovery; discovery binding; binding mechanisms ... See more keywords