Multiscale Modeling and Simulation Approaches to Lipid-Protein Interactions.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9512-7_1
Abstract: Lipid membranes play a crucial role in living systems by compartmentalizing biological processes and forming a barrier between these processes and the environment. Naturally, a large apparatus of biomolecules is responsible for construction, maintenance, transport,… read more here.
Keywords: simulation approaches; modeling simulation; protein interactions; lipid protein ... See more keywords
Multiscale modeling of cancellous bone considering full coupling of mechanical, electrical and magnetic effects
Sign Up to like & getrecommendations! Published in 2021 at "Biomechanics and modeling in mechanobiology"
DOI: 10.1007/s10237-021-01525-6
Abstract: Modeling of cancellous bone has important applications in the detection and treatment of fatigue fractures and diseases like osteoporosis. In this paper, we present a fully coupled multiscale approach considering mechanical, electric and magnetic effects… read more here.
Keywords: bone considering; magnetic effects; bone; modeling cancellous ... See more keywords
Atomistic Basis of Microtubule Dynamic Instability Assessed Via Multiscale Modeling
Sign Up to like & getrecommendations! Published in 2021 at "Annals of Biomedical Engineering"
DOI: 10.1007/s10439-020-02715-6
Abstract: Microtubule “dynamic instability,” the abrupt switching from assembly to disassembly caused by the hydrolysis of GTP to GDP within the β subunit of the αβ-tubulin heterodimer, is necessary for vital cellular processes such as mitosis… read more here.
Keywords: atomistic basis; multiscale modeling; dynamic instability; microtubule dynamic ... See more keywords
Multiscale modeling of continuous crushing of granular media: the role of grain microstructure
Sign Up to like & getrecommendations! Published in 2020 at "Computational particle mechanics"
DOI: 10.1007/s40571-020-00355-0
Abstract: Natural granular materials such as sands often possess complex microstructural features including cleavage and minerals interfaces. Those features bring apparent mechanical anisotropy to particles and are known to have pronounced influence on particle crushing characteristics.… read more here.
Keywords: continuous crushing; crushing granular; particle; multiscale modeling ... See more keywords
Multiscale modeling of microbial degradation of outer tissues of fiber-crop stems during the dew retting process.
Sign Up to like & getrecommendations! Published in 2020 at "Bioresource technology"
DOI: 10.1016/j.biortech.2020.123558
Abstract: Dew retting of fiber crops, such as hemp or flax, in the field after harvest promotes the microbial biodegradation of the tissues surrounding cellulosic fibers, which helps preserve the quality of fibers during their extraction… read more here.
Keywords: outer tissues; microbial degradation; dew retting; modeling microbial ... See more keywords
Atomistically informed multiscale modeling of radially grown nanocomposite using a continuum damage mechanics approach
Sign Up to like & getrecommendations! Published in 2019 at "Carbon"
DOI: 10.1016/j.carbon.2018.10.051
Abstract: Abstract An atomistically-informed multiscale modeling framework to investigate damage evolution and failure in radially-grown carbon nanotube (CNT) architecture is detailed in this paper. Molecular dynamics (MD) simulations are performed to investigate the effects of nano-reinforcements… read more here.
Keywords: atomistically informed; informed multiscale; radially grown; damage ... See more keywords
Integrated multiscale modeling of fixed bed reactors: Studying the reactor under dynamic reaction conditions
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2018.08.124
Abstract: Abstract Fixed-bed reactors are widely used for large-scale, heterogeneously-catalyzed gas-phase reactions, such as steam reforming, selective hydrogenations and partial oxidations. These reactions have strong heat effects; exothermic reactions can exhibit “hot-spots”, while endothermic reactions require… read more here.
Keywords: bed reactors; reaction; multiscale modeling; integrated multiscale ... See more keywords
Multiscale modeling and simulations of responsive polymers
Sign Up to like & getrecommendations! Published in 2019 at "Current Opinion in Chemical Engineering"
DOI: 10.1016/j.coche.2019.02.004
Abstract: Stimuli-responsive polymers can undergo structural changes with the variation of environmental conditions, namely pH, temperature, solvent, salt ionic strength, photo field, electrical field, and so on. In recent years, stimuli-responsive polymers have attracted extensive attention due to their… read more here.
Keywords: modeling simulations; simulations responsive; responsive polymers; stimuli responsive ... See more keywords
Multiscale modeling of photomechanical behavior of photo-responsive nanocomposite with carbon nanotubes
Sign Up to like & getrecommendations! Published in 2018 at "Composites Science and Technology"
DOI: 10.1016/j.compscitech.2018.03.032
Abstract: Abstract We propose a scale-bridging methodology to link the microscopic photoreaction of an azobenzene-containing liquid crystalline polymer (LCP) and the macroscopic interfacial and elastic properties of carbon nanotube (CNT)-reinforced photo-responsive nanocomposites. The photo-isomerization of the… read more here.
Keywords: photo; modeling photomechanical; cnt; multiscale modeling ... See more keywords
A bridging cell multiscale modeling of carbon nanotube-reinforced aluminum nanocomposites
Sign Up to like & getrecommendations! Published in 2018 at "Composite Structures"
DOI: 10.1016/j.compstruct.2018.02.044
Abstract: Abstract In this paper, the Young’s modulus and failure mechanics of nanotube-reinforced aluminum nanocomposites has been investigated using the Bridging Cell Method (BCM). The advantage of the BCM for multiscale modeling of CNT-Al nanocomposites is… read more here.
Keywords: reinforced aluminum; bridging cell; aluminum nanocomposites; nanotube reinforced ... See more keywords
Multifidelity multiscale modeling of nanocomposites for microstructure and macroscale analysis
Sign Up to like & getrecommendations! Published in 2018 at "Composite Structures"
DOI: 10.1016/j.compstruct.2018.05.075
Abstract: Abstract A high-fidelity multiscale modeling framework that integrates information from atomistic simulations pertaining to polymer chain sliding and bond dissociation is utilized to study damage evolution and failure in carbon nanotube (CNT)-reinforced nanocomposites. The nanocomposite… read more here.
Keywords: multiscale; multifidelity multiscale; analysis; modeling nanocomposites ... See more keywords