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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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Random Forest Prediction of Crystal Structure from Electron Diffraction Patterns

Transmission electron microscopy (TEM) diffraction patterns are regularly used to determine the structure of crystalline materials. Electron diffraction is the most common method to solve for unknown or partially known crystal structures, as it provides direct and interpretable feedback on the orientation of crystal grains under the beam [1]. However, it remains a challenge to determine the crystal structure of a new material or even a new phase of an existing material. Analysis of such materials commonly requires manual exploration and comparison with simulated diffraction patterns. This is often a time consuming process with no obvious start point when many similar structures are possible, and this method cannot be used to determine crystal structure or orientation from structures not included in the diffraction libraries. Therefore, we have developed a machine learning model to determine the crystal structure of a material from its electron diffraction pattern.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Causal Inference Model Based on Random Forests to Identify the Effect of Soil Moisture on Precipitation

Soil moisture influences precipitation mainly through its impact on land–atmosphere interactions. Understanding and correctly modeling soil moisture–precipitation (SM–P) coupling is crucial for improving weather forecasting and subseasonal to seasonal climate predictions, especially when predicting the persistence and magnitude of drought. However, the sign and spatial structure of SM–P feedback are still being debated in the climate research community, mainly due to the difficulty in establishing causal relationships and the high degree of nonlinearity in land–atmosphere processes. To this end, we developed a causal inference model based on the Granger causality analysis and a nonlinear machine learning model. This model includes three steps: nonlinear anomaly decomposition, nonlinear Granger causality analysis, and evaluation of the quality of SM–P feedback, which eliminates the nonlinear response of interannual and seasonal variability and the memory effects of climatic factors and isolates the causal relationship of local SM–P feedback. We applied this model by using National Climate Assessment–Land Data Assimilation System (NCA-LDAS) datasets over the United States. Here, the results highlight the importance of nonlinear atmosphere responses in land–atmosphere interactions. In addition, the strong feedback over the southwestern United States and the Great Plains both highlight the impacts of topographic factors rather than only the sensitivity of evapotranspiration to soil moisture. Furthermore, the SM–P index defined by our framework is used to benchmark Earth system models (ESMs), which provides a new metric for efficiently identifying potential model biases in modeling local land–atmosphere interactions and may help the development of ESMs in improving simulations of water cycle variability and extremes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Microstructure Quantification and Random Forest Regression Models for Li4Ti5O12–Ni Property Prediction

All-solid-state structural lithium-ion batteries are sought to enable all-electric propulsion in next generation aerospace concepts through improved safety and systems level weight savings. In this work, the influence of processing conditions on microstructural evolution was evaluated for anode composites of strain-free Li4Ti5O12 and metallic nickel current collector. Beyond size distributions, this study explored methods of quantifying microstructural features that describe changes in the spatial distribution and coalescence of nickel particles as a function of sample composition and sintering conditions. Processing-microstructure-property relationships were described by microstructure quantifiers including nickel particle count per area, nearest neighbor distance distribution, and edge-to-edge distance distribution. Machine learning methods were applied to compare the relative influence of processing conditions and microstructural features on electrical conductivity and mechanical strength to optimize for simultaneous energy storage and load bearing performance. Insights gained from this work inform future evaluation of alternative energy storage materials and microstructures for multifunctional performance, and generation of microstructural descriptors strengthens modeling across length scales.

anode↗