2018/12/19
by jorge.ramirez@upm.es
0 comments

New BETA version of Reptate (Release 0.9.5 – 20181205)

  • New React theory “Diene CSTR”
  • New Rolie-Double-Poly-LVE theory for polydisperse entangled linear polymers
  • New BoB NLVE theory
  • New NLVE theory: PETS model
  • New NLVE theory: GLaMM
  • Changed BoB so it doesn´t generate auxiliary files
  • View all theories applied to current dataset simultaneously
  • Added cursor to check data values with the mouse
  • Corrections to bugs


 

2018/07/20
by jorge.ramirez@upm.es
0 comments

New BETA version of Reptate (Release 0.9.3 – 20180719)

A new beta version of Reptate has been released. The new features are:

– New App: to handle and fit TTS shift factors
– New Tools for manipulating how data is represented (draggable to set the order of application)
– New Tools: Integral, Find Peaks, Gradient, Smooth data, set bounds to data, Evaluate Expression, Interpolate/Extrapolate
– New Materials Database (implemented as a Tool); theory parameters are read from the database if the chemistry is available
– New View: i-Rheo for J(t), with oversampling
– Handling of citations
– Bayesian information criterion printed in theory output
– Save to Flowsolve button in RP and BlendRP theories
– Save Maxwell modes in all theories
– Copy/Paste parameters between theories
– Legend settings and autoupdate legend
– Better bug handling (send email to developers)
– Save all views data to a text file
– Shifting of files; handling and saving shift parameters
– Nicer HTML output in Theory and Tools
– Allow calculations and fits to be stopped
– Developer docs: Callback functions
– Zoom (right button and wheel; zoom in and zoom out) and Pan (middle button)
– Dummyfiles to check theory predictions without experimental data
– New NLVE test data
– Allow many plots in the same application

2018/07/04
by jorge.ramirez@upm.es
0 comments

New paper in Macromolecules

A new article has just appeared in Macromolecules:

M. Tassieri, J. Ramirez, N.Ch. Karayiannis, S.K. Sukumaran and Y. Masubuchi, "i-Rheo GT: Transforming the time-dependent shear relaxation modulus of materials into their frequency-dependent complex shear modulus without artefacts", Macromolecules Article ASAP (2018)

In the paper, done in collaboration with Drs. Tassieri, Karayiannis, Sukumaran and Masubuchi, we present a new analytical tool for educing the frequency-dependent complex shear modulus of materials from computer-aided numerical simulations of their time-dependent shear relaxation modulus, without the need of preconceived models.

The tool can be downloaded from Manlio Tassieri's site. In addition, it has been implemented as a new View in RepTate.

 

2018/04/16
by jorge.ramirez@upm.es
0 comments

New BETA version of Reptate (Release 0.9.1 – 20180416)

A new Beta version of Reptate has been released today. It contains the following new features:

  • Applications: SANS (Neutron scattering), Creep (creep experiments)
  • Theories:

    • MWD: Generalized Exponential (GEX) & LogNormal distributions
    • TTS: WLF with temperature independent parameters
    • LVE: Branch-on-Branch linear rheology from polyconf file
    • LVE and Gt Theories: dynamic dilution of star polymers, Rouse model
    • NLVE: Blend of Rolie-Poly equations for polydisperse melts, Pom-pom model, Giesekus constitutive equation, Upper-Convected Maxwell constitutive equation
    • Creep: Retardation Modes
    • SANS: Debye function for neutron scattering of ideal polymer chains
    • React: generate polymer configuration with BoB
    • All Apps: basic theories (exponential, polynomial, etc)
  • Views:

    • i-Rheo transformation with tunable oversampling (Gt)
  • Other features:

    • Double click on theory parameter to change its attributes
    • Auto fit when dragging x/y-limits
    • Select format of theory lines

More info and download links here.

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