Multi-scale simulation tools

Request Number 184405 | Author Mondelēz International

Description

We are looking for multi-scale simulation tools that are able to simulate the macro-scale behaviour of materials made up of fluids and solids by considering the micro scale effects coming from molecular/chemical interactions between materials.

Background

The majority of product formulations involve combining dry granular ingredients with liquids to create materials that are often non-newtonian and are in states that cannot be fully described by single computational mechanics method. Furthermore, the created materials are only understood at the macro-scale, thus the role that individual ingredients play is not fully understood. Therefore, an understanding of how the ingredients combine at a molecular and meso scale would enable the effect new ingredients on the macro-behaviour to be tested completely in-silico.

We aim to gain competitive advantage with innovation and speed to market (underpinned by fundamental understanding of ingredient properties and behaviour, along with the corresponding modelling capabilities).

Key Success Criteria

Fast methodologies (results in hours/days instead of weeks or months)
Ability to predict macro-scale properties when a given ingredient is changed

Possible Approaches

MD to determine the interaction between ingredients and how that results in meso and macro scale behaviour that can be then used in CFD, DEM, SPH, LBM methods as material input. Leveraging 1D behavioural models based on model order reduction where possible.

What We Aren't Interested In

Animation style simulations that sacrifice physics for computational speed

Preferred Collaboration types

At this stage, we're open to various types of mutually-beneficial partnerships but looking for ready-to-commercialize or late phase development solutions.

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