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Assessing the Validity of the Simplified Potential Energy Clock Model for Modeling Glass-Ceramics

Jamison, Ryan D.; Grillet, Anne M.; Stavig, Mark E.; Strong, Kevin T.; Dai, Steve X.

Glass-ceramic seals may be the future of hermetic connectors at Sandia National Laboratories. They have been shown capable of surviving higher temperatures and pressures than amorphous glass seals. More advanced finite-element material models are required to enable model-based design and provide evidence that the hermetic connectors can meet design requirements. Glass-ceramics are composite materials with both crystalline and amorphous phases. The latter gives rise to (non-linearly) viscoelastic behavior. Given their complex microstructures, glass-ceramics may be thermorheologically complex, a behavior outside the scope of currently implemented constitutive models at Sandia. However, it was desired to assess if the Simplified Potential Energy Clock (SPEC) model is capable of capturing the material response. Available data for SL 16.8 glass-ceramic was used to calibrate the SPEC model. Model accuracy was assessed by comparing model predictions with shear moduli temperature dependence and high temperature 3-point bend creep data. It is shown that the model can predict the temperature dependence of the shear moduli and 3- point bend creep data. Analysis of the results is presented. Suggestions for future experiments and model development are presented. Though further calibration is likely necessary, SPEC has been shown capable of modeling glass-ceramic behavior in the glass transition region but requires further analysis below the transition region.

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TYPE SAND Report YEAR 2017
OSTIDOI

Open stack thermal battery tests

Long, Kevin N.; Fenton, Kyle R.; Roberts, Christine C.; Wong, Dennis K.; Grillet, Anne M.; Headley, Alexander H.; Ingersoll, David I.

We present selected results from a series of Open Stack thermal battery tests performed in FY14 and FY15 and discuss our findings. These tests were meant to provide validation data for the comprehensive thermal battery simulation tools currently under development in Sierra/Aria under known conditions compared with as-manufactured batteries. We are able to satisfy this original objective in the present study for some test conditions. Measurements from each test include: nominal stack pressure (axial stress) vs. time in the cold state and during battery ignition, battery voltage vs. time against a prescribed current draw with periodic pulses, and images transverse to the battery axis from which cell displacements are computed. Six battery configurations were evaluated: 3, 5, and 10 cell stacks sandwiched between 4 layers of the materials used for axial thermal insulation, either Fiberfrax Board or MinK. In addition to the results from 3, 5, and 10 cell stacks with either in-line Fiberfrax Board or MinK insulation, a series of cell-free “control” tests were performed that show the inherent settling and stress relaxation based on the interaction between the insulation and heat pellets alone.

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TYPE SAND Report YEAR 2017
OSTIDOI

Insights into lithium-ion battery degradation and safety mechanisms from mesoscale simulations using experimentally reconstructed mesostructures

Journal of Electrochemical Energy Conversion and Storage

Roberts, Scott A.; Mendoza, Hector M.; Brunini, Victor B.; Trembacki, Bradley T.; Noble, David R.; Grillet, Anne M.

Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, and thermal phenomena of lithium-ion batteries at the mesoscale. We review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.

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TYPE Journal Article YEAR 2016
ScopusOSTIDOI

Quantification of ionic transport within thermally-activated batteries using electron probe micro-analysis

Journal of Power Sources

Humplik, Thomas H.; Stirrup, Emily K.; Grillet, Anne M.; Grant, Richard P.; Allen, Ashley N.; Wesolowski, Daniel E.; Roberts, Christine C.

The transient transport of electrolytes in thermally-activated batteries is studied using electron probe micro-analysis (EPMA), demonstrating the robust capability of EPMA as a useful tool for studying and quantifying mass transport within porous materials, particularly in difficult environments where classical flow measurements are challenging. By tracking the mobility of bromine and potassium ions from the electrolyte stored within the separator into the lithium silicon anode and iron disulfide cathode, we are able to quantify the transport mechanisms and physical properties of the electrodes including permeability and tortuosity. Due to the micron to submicron scale porous structure of the initially dry anode, a fast capillary pressure driven flow is observed into the anode from which we are able to set a lower bound on the permeability of 10-1 mDarcy. The transport into the cathode is diffusion-limited because the cathode originally contained some electrolyte before activation. Using a transient one-dimensional diffusion model, we estimate the tortuosity of the cathode electrode to be 2.8 ± 0.8.

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TYPE Journal Article YEAR 2016
ScopusOSTIDOI
Results 26–50 of 200
Results 26–50 of 200