Molecular scale modeling now available in RheoCube

Molecular scale modeling now available in RheoCube

7 April 2021

Fresh after releasing the latest version of RheoCube last month, we are  introducing the latest updates for April. These new features and updates optimize RheoCube’s modeling capacity and further strengthen our robust Data Analysis tools. All of these latest developments are part of our continual optimization efforts to bring R&D experimental scientists the best predictive simulations possible. Read more about the introduction of molecular scale modeling and discover the latest version of RheoCube below:

Particle Preview

You can optionally generate 3D instances of your particles. This will let you inspect the shapes and sizes of the particles before using them to set up formulations and run experiments. This new feature offers a quick way to check if the parameters you specified will result in the kind of shapes and sizes you need, as well as improving the reproducibility of your simulations.

Models

Molecular-Scale Modeling

For the first time, molecular-scale modeling is provided for users in RheoCube. This breakthrough functionality enables users to simulate their fluid mixtures with coarse-grained molecular dynamics (CGMD), in order to qualitatively examine phase behaviour and self-assembly. Small-strain shear viscosity is also calculated, with the level of quantitative accuracy of this output still under active development.

Data Analysis and Visualization

Microscoping modeling visualizations

Microscopic experiments can be inspected with the Interactive Micro Visualization and the Micro Video Generator widgets. Micro specific experiment information is also included in the Experiment Information widget.

Add-on interface re-fresh 

The interface for widget add-ons, such as Help and Experiment Information, has changed.

From left to right are the buttons for: the help add-on, the experiment information add-on, and the preset manager add-on.

Widget pre-sets

The Material Properties, Line Profile, and Dimension-Averaged Line Profile widgets also have a preset add-on with which you can save the current widget state, including plots, load or delete a previously saved state, and reset the widget state.

Simplified diffusion constant calculation

The diffusion constant is now calculated only based on the slope of the line through the first and and last Mean Squared Displacement point in the selected interval.

Find out more today

Make sure to log into your account to access more detailed release notes. Not a RheoCube user yet? Reach out and request your demo today.

These updates and a few resolved issues are all part of the latest step in RheoCube’s optimized development. There’s a lot going on at RheoCube, including some exciting developments on visualization. Keep your eyes on this blog for our upcoming accompanying piece on “Understanding results of simulations in RheoCube: visualizing interfaces with isosurfaces”. 

Watch out for the next updates to RheoCube. See this software in action for yourself and discover how simulations can transform your R&D programs, sign up for a consultation with one of our experts.