Many product technologies are founded on heterogeneous functional materials with functional void phases and surfaces, e.g., many energy conversion and storage devices including batteries, fuel cells and flow batteries, separation membranes, nuclear waste storage, electronic, and vehicular devices. Such materials are often multifunctional, and their reaction with applied mechanical, electrical, and thermal fields is the subject of design for performance and reliability. That design enterprise involves the constituents, their morphologies, and their interfaces and surfaces. But characterization of those properties and response (especially any coupled response) is expensive and time consuming. The purpose of this discussion is to define recent frontiers and challenges in this field, and to identify some best approaches to achieving an understanding, constructing models and analysis, and predicting behavior of such heterogeneous systems as a genre of materials when driven by product technologies. Fundamentals will be emphasized, but applications and demonstrations of the concepts will be featured as well. Particular attention will be given to the coupling between mechanical defect states and charge distribution in heterogeneous materials, and recently developed methods of understanding and interpreting dielectric behavior driven by that physics. Technical issues discussed will include methods of resolving and rendering internal detail in heterogeneous energy materials, multi-scale, multiphysics conformal modelling and design of morphology driven by species flux balance, uncertainty and validation of simulation models, and demonstration of first-principles concepts for heterogeneous materials for devices used for energy conversion and storage, vehicular structures, and chemical processing. Application and integration concepts including integrative learning for adaptive control will also be addressed.