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In these studies, the principle of correspondence was applied to the determination of a fundamental solution, which was utilized for the fracture modelling of polymers.
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Such original experimental evidence provides new insight for finite strain constitutive modelling of polymer amorphous networks.
Photo: Prof. Rick Register showing middle schoolers a model of polymers yesterday at Science Day at Princeton.
The idealized models of polymers were built of united atoms (segments) restricted to vertices of a simple cubic lattice.
Using the Inverse Boltzmann Method, both the static structures and dynamic behavior of all-atomistic models of polymers can be reproduced by a simple coarse-grained model, which bridges the scale from nano to meso.
Additionally, our fast, transferable force-field can be straightforwardly combined with existing coarse-grained models of polymers and proteins to predict the meso-scale behavior of hybrid carbon nanomaterials.
Specifically, six blends of PVA/PAM with varying concentrations of nano-silica (0 13 wt%) and two interfacial interaction models of polymers on the silica surface were designed and analyzed at an atomic level in terms of concentration profile, mechanical properties, fractional free volume (FFV), dynamic properties of polymers and X-ray diffraction patterns.
The concept of persistence length is loosely inspired by physical models of polymers, and gives some indication about the internal organization of the conserved regions.
In the framework of this 3D model we created 12 model sets of polymers to account for their chirality, conformational diversity and the structural influence of a solvent.
Alexei worked closely with experimentalists in the UK, Greece and Germany, developing new models of polymer dynamics, flow, neutron scattering and various spectroscopies.
A model of polymer chain rearrangement upon wetting was proposed to explain this behavior.
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