Advanced Materials for Energy Conversion and Storage 2023: Sustainability and Energy
Sponsored by: TMS Functional Materials Division, TMS: Energy Conversion and Storage Committee
Program Organizers: Jung Choi, Pacific Northwest National Laboratory; Amit Pandey, Lockheed Martin Space; Partha Mukherjee, Purdue University; Surojit Gupta, University of North Dakota; Soumendra Basu, Boston University; Paul Ohodnicki, University Of Pittsburgh; Eric Detsi, University of Pennsylvania
Wednesday 8:30 AM
March 22, 2023
Room: 32B
Location: SDCC
Session Chair: Surojit Gupta, University of North Dakota; Lan Li, Boise State University
8:30 AM Invited
Study of the Efficacy of a Perovskite Sensor-Based Non-Invasive Glucose Monitoring System Using Infrared Light Intensity Correlations: Towards the Development of Measurement Metrics Using Data Analytics: David Ryman1; Muhilan Manimaran1; Prakhyat Gautam1; Darwyn Ward1; Luke Davis1; Brent Yang1; Diana Govea1; Carlos Moreno1; Anmol Randhawa1; Edgar Perez-Lopez2; Saquib Ahmed3; Sankha Banerjee1; 1California State University, Fresno; 2University of California, Merced; 3State University of New York, Buffalo State
A proof-of-concept glucose monitoring sensor circuit was designed with the goal of producing a correlation between the signal detected by a photodiode module after infrared light had refracted through a glucose solution, and the concentration of that solution. This circuit was controlled by an Arduino MEGA microcontroller and data on sensor output vs time was stored on a flash drive. However, no clear correlation was found among several iterations of tests. Possible explanations include: heat generation in the LED, issues related to the dispersed nature of LEDs, imprecision of the photodiode module, poor alignment between the photodiode module and LED, and data from a continuous LED signal has limited correlation potential compared to the same from a pulse signal. Several modifications to the circuit and components are proposed to address these issues in including using inorganic perovskite-based optoelectronic sensors.
8:55 AM Invited
First-Principles Studies of Metal Nanoparticles on Substrates for Advanced Manufacturing Applications: Lan Li1; 1Boise State University
The goal of our study is to use advanced manufacturing to build a high-temperature irradiation-resistant thermocouple (HTIR-TC) for real-time temperature measurement in a nuclear reactor. A HTIR, consisting of Mo and Nb, offers the better performance than traditional TCs. To better control the advanced manufacturing process of Mo and Nb HTIR-TCs, we applied first-principles density functional theory-based methods to reveal the adsorption and diffusion mechanisms of printed Mo and Nb nanoparticles on the α-Al2O3 substrate. We found that Mo and Nb adatoms prefer to adsorb to the same locations on the surface. The larger adsorption energies calculated for Nb compared to Mo indicate that Nb adatom-surface interactions are stronger than Mo. Overall, Mo and Nb follow roughly the same diffusion paths. This presentation will also demonstrate the effect of the nanoparticle size on the nanoparticle-substrate interaction. These results will provide a guidance on optimizing advanced manufacturing processes.
9:20 AM Cancelled
A Novel Equilibrium Monte Carlo Approach for Efficient Calculation of Phonon Conductivity in Nanostructured Thermoelectric Materials: S. Aria Hosseini1; Alathea Davies2; Ian Dickey3; Giuseppe Romano1; Laura de Sousa Oliveira2; Neophytos Neophytou4; Peter Greaney3; 1Massachusetts Institute of Technology; 2University of Wyoming; 3University of California, Riverside; 4University of Warwick
Design of thermoelectric energy conversion devices entails finding nanostructures that provide ultra low thermal conductivity. Here we present a novel approach for computing phonon mediated thermal conductivity in such systems using Monte Carlo simulations of the system at equilibrium. In this approach the thermal conductivity is computed from the autocorrelation function of the equilibrium heat current fluctuations using the Green-Kubo method. We show that the heat current autocorrelation function can be constructed from the average of the autocorrelation function of individual phonons, making convergence of its calculation very efficient. This approach has the further advantage that, being at equilibrium, it does not require one to converge the temperature at every point in the simulation domain and thus the equilibrium approach can be significantly
9:40 AM Invited
Experimental Simulation of the Erosive-Corrosive Wear and Shear Rate Dependence of an Iron and Molten Al-Si Thermal Storage System: Nuria Navarrete Argiles1; Carolina Villada Vargas1; Anthony Rawson1; Florian Kargl1; 1Deutsches Zentrum für Luft- und Raumfahrt
Metals and metallic alloys have a great potential for their use as high temperature thermal storage materials. Their high density, high latent heat or high thermal conductivity can be optimal for their application as phase change materials. However, the reactivity of molten metals at high operation temperatures needs to be considered in the design process when choosing a container material. Besides, in applications with relative motion between the molten metal and housing (e.g. due to sloshing or when pumping), erosive-corrosive wear can have an important role. In this work, an experimental method has been developed to evaluate the effects of this relative motion using a concentric cylinder rheometer. The influence of different shear rates in the degradation of iron (potential housing material) submerged in Al-12.5%wt. Si (used as the metallic phase change material) has been evaluated, identifying the different phases formed and stablishing the potential of this novel experimental technique.
10:05 AM Break
10:25 AM
Triple-cation Perovskite Photoabsorbers and Solar Cells: Thomas Mather1; Sujan Aryal1; Mahdi Temsal1; Anupama Kaul1; 1University of North Texas
We present our results on the photoabsorber characterization of triple-cation perovskite and their integration into solar cells. The photabsorbers were fabricated using the spin coating approach and constructed into two-terminal devices. After outlining the fabrication process of our three-dimensional perovskite photodetectors, their photo response to incoming radiation was measured using broadband illumination through temperature-dependent measurements. We also discuss our efforts on the integration of the triple-cation absorbers into solar cells in the n-i-p architecture and compare the response of the triple-cation solar cells with those fabricated using MAPbI3 absorbers. Our results presented here provide a fabrication and characterization framework for the three-dimensional perovskite structures in photoabsorber and solar cell devices.
10:45 AM Invited
Salt Hydrate Eutectics: Expanding the Palette of Phase Change Materials for Thermal Energy Storage: Patrick Shamberger1; Sophia Ahmed1; Haley Jones1; Robert Mach1; 1Texas A&M University
A critical aspect of thermal energy storage systems is the development of thermal energy storage media that will melt repeatedly within a defined temperature range. For example, to optimize efficiency, some environmental climate control and air conditioning systems require thermal energy storage between 5 to 25 °C. To address this need, eutectic salt hydrates have been identified as promising candidate systems that will allow for the tailoring of bespoke thermal energy storage systems, due to the large number of potential eutectics distributed across a broad temperature range. Here we present recent efforts to expand the palette of low cost high energy storage density nitrate salt hydrate eutectics developed for building thermal energy storage applications. We compare theoretical predictions against validated eutectic compositions and properties, and highlight some of the advantages and challenges associated with these materials.
11:10 AM Keynote
Fast-charging Aluminum-chalcogen Batteries Resistant to Dendritic Shorting: Donald Sadoway1; 1Massachusetts Institute of Technology
Announcing a rechargeable aluminum-chalcogen battery operating with a molten salt electrolyte composed of NaCl-KCl-AlCl3. This chemistry is distinguished from other aluminium batteries in the choice of positive elemental chalcogen electrode as opposed to various low-capacity compound formulations, and in the choice of a molten salt electrolyte as opposed to room-temperature ionic liquids. The multi-step conversion pathway between aluminum and chalcogen allows rapid charging at up to 200C while the battery endures hundreds of cycles at very high charging rates without dendrite formation. The cell-level cost of the aluminum-sulfur battery is projected to be less than 1/6 that of current Li-ion technologies. Composed of earth-abundant elements that can be ethically sourced and operating at moderately elevated temperatures just above the boiling point of water, this chemistry has all the requisites of a low-cost, rechargeable, fire-resistant, recyclable battery.