Dassault Systemes Americas Corp.

Sabine Schweizer

Lalitha Subramanian

Kwan Skinner

Felix Hanke

James Wescott

Reinier Akkermans

Embodiments generate computer based models, e.g., computer aided design (CAD) models, of materials. One such embodiment selects at least one section of a model representing a unit of a material. In turn, at least one physical or chemical property of the model is estimated based upon a proposed modification to the selected at least one section of the model and a proposed modification to a remainder of the model representing the unit of material. This selecting and estimating is iterated until the estimated at least one physical or chemical property conforms to a user specification of the at least one physical or chemical property. In this way, such an embodiment creates a model of a subject material that conforms to user specified physical and chemical properties.

Modeling and simulating material microstructures

Embodiments calculate birefringence of materials. One such embodiment builds one or more three-dimensional structure models of one or more compounds forming a material. Each built three-dimensional structure model is aligned along a molecular axis and one or more tilt angles are set for each aligned three-dimensional structure model. A molecular polarizability tensor for each three-dimensional structure model with the set tilt angles is then calculated. An embodiment accounts for anisotropy by measuring the width and length of each model with the set tilt angles to determine aspect ratios. To continue, birefringence of the material is calculated based on the determined molecular polarizability tensors of the one or more models. Embodiments can be employed for simulating, optimizing, and designing real-world objects, e.g., in an optimization to select a material for a phone display that conforms with performance/manufacturing requirements.

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Angelbachtal, Germany

Sabine Schweizer