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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Convolutional Neural Networks for Problems in Transport Phenomena: A Theoretical Minimum

Convolutional neural network (CNN), a deep learning algorithm, has gained popularity in technological applications that rely on interpreting images (typically, an image is a 2D field of pixels). Transport phenomena is the science of studying different fields representing mass, momentum, or heat transfer. Some of the common fields are species concentration, fluid velocity, pressure, and temperature. Each of these fields can be expressed as an image(s). Consequently, CNNs can be leveraged to solve specific scientific problems in transport phenomena. Herein, we show that such problems can be grouped into three basic categories: (a) mapping a field to a descriptor (b) mapping a field to another field, and (c) mapping a descriptor to a field. After reviewing the representative transport phenomena literature for each of these categories, we illustrate the necessary steps for constructing appropriate CNN solutions using sessile liquid drops as an exemplar problem. If sufficient training data is available, CNNs can considerably speed up the solution of the corresponding problems. Finally, the present discussion is meant to be minimalistic such that readers can easily identify the transport phenomena problems where CNNs can be useful as well as construct and/or assess such solutions.

97 MATHEMATICS AND COMPUTING↗

Surface Wettability Analysis from Adsorption Energy and Surface Electrical Charge

Surface wettability is determined by the attraction of a liquid phase to a solid surface. It is typically quantified by using contact angle measurements at mineral surfaces in the case of the flotation of mineral particles. Contact angle research to describe wettability has been investigated at different scales by sessile drop measurements, molecular dynamic simulation, and atomic force microscopy. In this study, the density functional theory (DFT) was employed for predicting the surface free energy and contact angles of a well-known hydrophobic phyllosilicate mineral talc and a well-known hydrophilic phyllosilicate mineral muscovite based on the calculated interfacial energy and surface charge. The results revealed that the predicted contact angle at the atomic scale was larger than the experimental value, and identified two interactions: electrostatic interaction and hydrogen bonding, between the hydrophilic muscovite surface and the water layer, while a water-exclusion zone of 3.346 Å was found between the hydrophobic talc surface and the first water layer. This investigation gives a new perspective for wettability determination at the atomic scale.

Geochemistry & Geophysics↗

Evaporation of a Reactive Nanofluid Sessile Drop: Capturing Rapid Emergence of Surface Crystals with In Situ Synchrotron X-ray Diffraction

Mechanisms for surface pattern formation from evaporation of a reactive nanofluid sessile drop are not well understood. In contrast to the coffee-ring effect from inert particles, rapid chemical and morphological transformation of reactive nanoparticles upon rapid evaporative drying are challenging to probe experimentally. Here, using grazing-incidence X-ray surface scattering, the nanostructure of nascent surface patterns has been probed as a ZnO nanofluid sessile drop rapidly dries. The high temporal resolution enabled by the high flux of synchrotron X-rays allows the observation of the emergence of Zn(OH) 2 surface crystals from the onset of evaporation and their rapid evolution into the final residual surface pattern, via transient layered complexes evident from the temporary appearance of X-ray diffraction peaks preceding Zn(OH) 2 formation. The results offer mechanistic insights of morphogenesis of surface patterns from evaporation-induced self-assembly and self-organization of reactive nanofluids, previously untenable using other experimental methods.

36 MATERIALS SCIENCE↗