Sfoglia per Soggetto "Diffusion in liquids"
Items 1-8 di 8
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Calculating material properties with purely data-driven methods
(2022)Unsupervised machine learning (ML) methods are incorporated in this work to depict correlations and investigate hidden relations between data points that refer to a diffusion coefficient dataset for the Lennard-Jones (LJ) ... -
Collagen fibril diameter distribution affects permeability of ligament tissue: A computational study on healthy and injured tissues
(2020)Background and objective In a vascular or hypovascular tissues, elements required for maintaining tissue functions are recruited through diffusion, which is highly related with the permeability of the extracellular matrix ... -
A combined clustering/symbolic regression framework for fluid property prediction
(2022)Symbolic regression techniques are constantly gaining ground in materials informatics as the machine learning counterpart capable of providing analytical equations exclusively derived from data. When the feature space is ... -
In silico study of levodopa in hydrated lipid bilayers at the atomistic level
(2021)This article presents atomistic molecular dynamics and umbrella sampling simulations of levodopa at various concentrations in hydrated cholesterol-free 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and cholesterol-containing ... -
Machine learning symbolic equations for diffusion with physics-based descriptions
(2022)This work incorporates symbolic regression to propose simple and accurate expressions that fit to material datasets. The incorporation of symbolic regression in physical sciences opens the way to replace "black-box"machine ... -
Modeling the distribution of phosphine and insect mortality in cylindrical grain silos with Computational Fluid Dynamics: Validation with field trials
(2020)In the present work, the distribution of phosphine gas in six metal silos with wheat was modelled and compared with available distribution data from phosphine sensors. During the fumigation, a recirculation system was used ... -
Molecular dynamics simulation on flows in nano-ribbed and nano-grooved channels
(2015)We present molecular dynamics simulation results on fluid and transport properties for nanochannel flows. The upper channel wall is constructed from periodic roughness elements and flows are simulated both in longitudinal ... -
Molecular dynamics simulation on flows in nano-ribbed and nano-grooved channels
(2016)We present molecular dynamics simulation results on fluid and transport properties for nanochannel flows. The upper channel wall is constructed from periodic roughness elements and flows are simulated both in longitudinal ...