Dataset Information

Modeling and design of thin bending wooden bilayers.

ABSTRACT: In recent architectural research, thin wooden bilayer laminates capable of self-actuation in response to humidity changes have been proposed as sustainable, programmed, and fully autonomous elements for facades or roofs for shading and climate regulation. Switches, humidistats, or motor elements represent further promising applications. Proper wood-adapted prediction models for actuation, however, are still missing. Here, a simple model that can predict bending deformation as a function of moisture content change, wood material parameters, and geometry is presented. We consider material anisotropy and moisture-dependency of elastic mechanical parameters. The model is validated using experimental data collected on bilayers made out of European beech wood. Furthermore, we present essential design aspects in view of facilitated industrial applications. Layer thickness, thickness-ratio, and growth ring angle of the wood in single layers are assessed by their effect on curvature, stored elastic energy, and generated axial stress. A sensitivity analysis is conducted to identify primary curvature-impacting model input parameters.

SUBMITTER: Gronquist P

PROVIDER: S-EPMC6191116 | biostudies-other | 2018

REPOSITORIES: biostudies-other

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Modeling and design of thin bending wooden bilayers.

Grönquist Philippe P Wittel Falk K FK Rüggeberg Markus M

PloS one 20181016 10

In recent architectural research, thin wooden bilayer laminates capable of self-actuation in response to humidity changes have been proposed as sustainable, programmed, and fully autonomous elements for facades or roofs for shading and climate regulation. Switches, humidistats, or motor elements represent further promising applications. Proper wood-adapted prediction models for actuation, however, are still missing. Here, a simple model that can predict bending deformation as a function of moist ...[more]

PMID: 30325938

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Project description:Cholesterol trafficking, which is an essential function in mammalian cells, is intimately connected to molecular-scale interactions through cholesterol modulation of membrane structure and dynamics and interaction with membrane receptors. Since these effects of cholesterol occur on micro- to millisecond timescales, it is essential to develop accurate coarse-grained simulation models that can reach these timescales. Cholesterol has been shown experimentally to thicken the membrane and increase phospholipid tail order between 0-40% cholesterol, above which these effects plateau or slightly decrease. Here, we showed that the published MARTINI coarse-grained force-field for phospholipid (POPC) and cholesterol fails to capture these effects. Using reference atomistic simulations, we systematically modified POPC and cholesterol bonded parameters in MARTINI to improve its performance. We showed that the corrections to pseudo-bond angles between glycerol and the lipid tails and around the oleoyl double bond particle (the "angle-corrected model") slightly improves the agreement of MARTINI with experimentally measured thermal, elastic, and dynamic properties of POPC membranes. The angle-corrected model improves prediction of the thickening and ordering effects up to 40% cholesterol but overestimates these effects at higher cholesterol concentration. In accordance with prior work that showed the cholesterol rough face methyl groups are important for limiting cholesterol self-association, we revised the coarse-grained representation of these methyl groups to better match cholesterol-cholesterol radial distribution functions from atomistic simulations. In addition, by using a finer-grained representation of the branched cholesterol tail than MARTINI, we improved predictions of lipid tail order and bilayer thickness across a wide range of concentrations. Finally, transferability testing shows that a model incorporating our revised parameters into DOPC outperforms other CG models in a DOPC/cholesterol simulation series, which further argues for its efficacy and generalizability. These results argue for the importance of systematic optimization for coarse-graining biologically important molecules like cholesterol with complicated molecular structure.

Dataset Information

Modeling and design of thin bending wooden bilayers.

Publications

Modeling and design of thin bending wooden bilayers.

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