Advanced Materials for Energy Conversion and Storage 2022: Energy Storage with Battery
Sponsored by: TMS Functional Materials Division, TMS: Energy Conversion and Storage Committee
Program Organizers: Jung Choi, Pacific Northwest National Laboratory; Soumendra Basu, Boston University; Paul Ohodnicki, University Of Pittsburgh; Partha Mukherjee, Purdue University; Surojit Gupta, University of North Dakota; Amit Pandey, Lockheed Martin Space; Kyle Brinkman, Clemson University
Tuesday 8:00 AM
March 1, 2022
Room: 212B
Location: Anaheim Convention Center
Session Chair: Sarbajit Banerjee, Texas A&M University; Partha Mukherjee, Purdue Univeristy
8:00 AM Invited
Engineering Phase Transformations in Intercalation Materials: A. Renuka Balakrishna1; 1University of Southern California
Intercalation materials are promising candidates for reversible energy storage and are, for example, used as lithium-battery electrodes, hydrogen-storage compounds, and electrochromic materials. An important issue preventing the more widespread use of these materials is that they undergo structural transformations (∼10% lattice strains) during intercalation, which expand the material, nucleate microcracks, and, ultimately, lead to material failure. By contrast, shape-memory alloys, another class of materials, undergo structural transformations without volume changes despite having large lattice strains. This is because shape-memory alloys form characteristic microstructures that adapt to the material shape and can be reversibly cycled many times. These microstructures form in materials that satisfy very specific lattice geometries and are observed in many shape-memory alloys, but not widely in intercalation materials. Today, I will discuss whether the microstructures resulting from phase transformation in intercalation materials can be crystallographically engineered to resemble the self-accommodating and low-elastic-energy microstructures that form in shape-memory alloys.
8:25 AM
Chemo-mechanics of Alkali-ion Intercalation into Iron Phosphate Composite Cathodes: Omer Ozgur Capraz1; Bertan Ozdogru1; 1Oklahoma State University
Physical, and electrochemical behavior of the cathode materials in response to Na+ and K+ ion intercalation is expected to be fundamentally different than the response to Li+ ion. However, there is not much known about how electrochemical reactions and transport of ions take place in cathode materials with different alkali metal ions. First, we will report the utilization of in situ digital image correlation and in-operando XRD techniques to probe dynamic changes in the amorphous phase of iron phosphate during potassium intercalation. A new experimental approach allows to monitor dynamic physical and structural changes in the amorphous phase of the electrodes. Then, we will compare the electrochemical and mechanical response of the iron phosphate cathodes upon Li, Na and K ion intercalation by using electrochemical techniques and in situ digital image correlation.
8:45 AM
Computational Investigations of the Structure and Interface Stability of the Solid Electrolyte Material Li4PS4I
: Ahmad Al-Qawasmeh1; El Mostafa Benchafia1; Sufian Abedrabbo1; 1Khakifa University
Recent experimental and computational studies have shown that Li4PS4I is a promising solid electrolyte material for usage in Li-ion batteries technology. In this work, we report our first-principles simulations results of the structure and interface stability of the material with Li anode. In particular, our simulations suggest a fully ordered structure of the material that is stable at room temperature. This structure is believed to present a low temperature phase of the material with a possible transition to the disordered phase at high temperature. Furthermore, our simulated structure has been used to analyze the phonon modes of vibration, the electronic structure of the material as well as the interface stability of the material with Li metal and the results will be presented in this work.
9:05 AM
First Principles Studies on Doping Effect of Ni-rich Cathode Material: Zhou Xiangyuan1; 1Central South University
Ni-rich layered oxides, such as LiNi0.8Co0.1Mn0.1O2 (NCM811), have been widely studied because of their higher energy density. However, the gradual transformation of the structure during the cycle will cause the capacity of the cathode material to decrease and the potential to decay. In this paper, first principles calculation method is used to dope NCM811 with Sb, Si, and Ca ions to improve the electrochemical performance of NCM811. Calculation and analysis show that the doping of Sb, Si, and Ca has an effective effect on reducing Ni oxidation and reducing oxygen loss.
9:25 AM Break
9:45 AM
AI BMS Design with Sensor and ML Integration: Alexey Serov1; Meghana Sudarshan1; Surya Ayalasomayajula1; Casey Jones1; Vikas Tomar1; 1Purdue University
This work focuses on taking robust machine learning models built off of public datasets and applying the resulting predicted values and outputs directly on top of real-time operating battery management systems. A parasitic sensor network composed of a main microcontroller, a host CPU, resistance temperature detection devices, voltage and current measurements was created. The resulting network was integrated with a commercial battery management system. Real-time data for a simple 18650 battery pack with four cells in series was gathered. This real-time data stream was then actively used alongside public data-trained neural network algorithms for a robust and predictive “AI BMS”. Using the power of non-linear models to include battery health impacts not normally considered in battery management systems nor accounted for in common linear models, the sensor system in conjunction with a model trained on public datasets made predictive decisions about battery health characteristics on top of normal BMS operations.