Multilayer Structures of Graphene and Pt Nanoparticles: A Multiscale Computational Study
Sign Up to like & getrecommendations! Published in 2020 at "Advanced Engineering Materials"
DOI: 10.1002/adem.202000207
Abstract: Multiscale simulation study results of multilayer structures consisting of graphene sheets with embedded Pt nanoparticles is reported. Density functional theory is used to understand the energetics of Pt–graphene interfaces and provide reference data for the… read more here.
Keywords: study; nanoparticles multiscale; multiscale computational; graphene nanoparticles ... See more keywords
Multiscale computational method for thermoelastic problems of composite materials with orthogonal periodic configurations
Sign Up to like & getrecommendations! Published in 2018 at "Applied Mathematical Modelling"
DOI: 10.1016/j.apm.2018.03.047
Abstract: Abstract This study develops a novel multiscale computational method for thermoelastic problems of composite materials with orthogonal periodic configurations. Firstly, the multiscale asymptotic analysis for these multiscale problems is given successfully, and the formal second-order… read more here.
Keywords: method thermoelastic; problems composite; computational method; method ... See more keywords
Advances toward multiscale computational models of cartilage mechanics and mechanobiology
Sign Up to like & getrecommendations! Published in 2019 at "Current Opinion in Biomedical Engineering"
DOI: 10.1016/j.cobme.2019.09.013
Abstract: Abstract Across spatial scales, biological systems exhibit exquisite hierarchy in architecture and function, leading to complex, observable phenomena. In the articular cartilage of our joints, the organization of molecule- to tissue-level structures governs the interplay… read more here.
Keywords: multiscale computational; toward multiscale; computational models; models cartilage ... See more keywords
Toward rational algorithmic design of collagen-based biomaterials through multiscale computational modeling
Sign Up to like & getrecommendations! Published in 2019 at "Current Opinion in Chemical Engineering"
DOI: 10.1016/j.coche.2019.02.011
Abstract: Inspired by the complex diversity of collagenous materials in mammalian tissue, collagen-based biomaterials are increasingly utilized for developing drug delivery vehicles and regenerative tissue engineering. Collagen’s broad utility poses important engineering challenges for the rational… read more here.
Keywords: multiscale computational; computational modeling; collagen based; based biomaterials ... See more keywords
An efficient multiscale computational formulation for geometric nonlinear analysis of heterogeneous piezoelectric composite
Sign Up to like & getrecommendations! Published in 2017 at "Composite Structures"
DOI: 10.1016/j.compstruct.2017.02.005
Abstract: Abstract In this contribution, an efficient multiscale computational formulation is developed for the geometric nonlinear analysis of heterogeneous piezoelectric materials. In this formulation, the relations between the microscopic heterogeneous properties and macroscopic behaviors of the… read more here.
Keywords: multiscale computational; formulation; efficient multiscale; computational formulation ... See more keywords
Hydrogen storage on graphitic carbon nitride and its palladium nanocomposites: A multiscale computational approach
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2019.02.071
Abstract: Abstract Hydrogen storage capacity (HSC) of multilayer graphitic carbon nitride, d-g-C3N4 (d is interlayer spacing), and its palladium nanocomposite, d-Pd@g-C3N4, were investigated using multiscale computational techniques including quantum mechanics calculations and grand canonical Monte Carlo… read more here.
Keywords: c3n4; multiscale computational; hydrogen; hydrogen storage ... See more keywords
Rapid Multiscale Computational Screening for OLED Host Materials.
Sign Up to like & getrecommendations! Published in 2019 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.8b16225
Abstract: The design of new host materials for phosphorescent organic light emitting diodes (OLEDs) is challenging because several physical property requirements must be met simultaneously. A triplet energy ( ET) higher than that of the chosen… read more here.
Keywords: rapid multiscale; multiscale computational; computational screening; host ... See more keywords
Predicting 1-year in-stent restenosis in superficial femoral arteries through multiscale computational modelling
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the Royal Society Interface"
DOI: 10.1098/rsif.2022.0876
Abstract: In-stent restenosis in superficial femoral arteries (SFAs) is a complex, multi-factorial and multiscale vascular adaptation process whose thorough understanding is still lacking. Multiscale computational agent-based modelling has recently emerged as a promising approach to decipher… read more here.
Keywords: year; superficial femoral; multiscale computational; femoral arteries ... See more keywords