Machine learning as an online diagnostic tool for proton exchange membrane fuel cells

Proton exchange membrane fuel cells are considered a promising power supply system with high efficiency and zero emissions. They typically work within a relatively narrow range of temperature and humidity to achieve optimal performance; however, this makes the system difficult to control, leading to faults and accelerated degradation. Two main approaches can be used for diagnosis, limited data input which provides an unintrusive, rapid but limited analysis, or advanced characterisation that provides a more accurate diagnosis but often requires invasive or slow measurements. To provide an accurate diagnosis with rapid data acquisition, machine learning methods have shown great potential. However, there is a broad approach to the diagnostic algorithms and signals used in the field. This article provides a critical view of the current approaches and suggests recommendations for future methodologies of machine learning in fuel cell diagnostic applications

Thermal Runaway of a Li-Ion Battery Studied by Combined ARC and Multi-Length Scale X-ray CT

Lithium ion battery failure occurs across multiple length scales. In this work, the properties of thermal failure and its effects on electrode materials were investigated in a commercial battery using a combination of accelerating rate calorimetry (ARC) and multi-length scale X-ray computed tomography (CT). ARC measured the heat dissipated from the cell during thermal runaway and enabled the identification of key thermal failure characteristics such as onset temperature and the rate of heat generation during the failure. Analysis before and after failure using scanning electron microscopy (SEM) and X-ray CT were performed to reveal the effects of failure on the architecture of the whole cell and microstructure of the cathode material. Mechanical deformations to the cell architecture were revealed due to gas generation at elevated temperatures (>200 °C). The extreme conditions during thermal runaway caused the cathode particles to reduce in size by a factor of two. Electrode surface analysis revealed surface deposits on both the anode and cathode materials. The link between electrode microstructure and heat generation within a cell during failure is analysed and compared to commercially available lithium ion cells of varying cathode chemistries. The optimisation of electrode designs for safer battery materials is discussed

X-Ray Computed Tomography for Failure Mechanism Characterisation within Layered Pouch Cells: Part II

In Part I (1), the failure response of a 1 Ah layered pouch cell with a commercially available nickel manganese cobalt (NMC) cathode and graphite anode at 100% state of charge (SOC) (4.2 V) was investigated for two failure mechanisms: thermal and mechanical. The architectural changes to the whole-cell and deformations of the electrode layers are analysed after failure for both mechanisms. A methodology for post-mortem cell disassembly and sample preparation is proposed and demonstrated to effectively analyse the changes to the electrode surfaces, bulk microstructures and particle morphologies. Furthermore, insights into critical architectural weak points in LIB pouch cells, electrode behaviours and particle cracking are provided using invasive and non-invasive X-ray computed tomography techniques. The findings in this work demonstrate methods by which LIB failure can be investigated and assessed

Predominance diagrams of uranium and plutonum species in both lithium chloride-potassium chloride eutectic and calcium chloride

Electro-reduction of spent nuclear fuel has the potential to significantly reduce the amount of high level waste from nuclear reactors. Typically, spent uranium and plutonium are recovered via the PUREX process leading to a weapons-grade recovery; however, electro-reduction would allow spent nuclear fuel to be recovered effectively whilst maintaining proliferation resistance. Here, we pres- ent predominance diagrams (also known as Littlewood diagrams) for both uranium and plutonium species in molten lithium chloride–potassium chloride eutectic (LKE) at 500 C and in calcium chloride at 800 C. All diagrams presented depict regions of stability of various phases at unit activity in equilibrium with their respective dissociated ions. The diagrams thermodynamically define the electro- chemical system leading to predictions of reaction condi- tions necessary to electrochemically separate species. The diagrams have been constructed using a pure thermody- namic route; identifying stable species within the molten salt with an assumption of unit activity for each of the phases. These thermodynamically predicted diagrams have been compared to the limited available experimental data; demonstrating good correlation. The diagrams can also be used to predict regions of stability at activities less than unity and is also demonstrated

3D Imaging of Lithium Protrusions in Solid‐State Lithium Batteries using X‐Ray Computed Tomography

Solid‐state lithium batteries will revolutionize the lithium‐ion battery and energy storage applications if certain key challenges can be resolved. The formation of lithium‐protrusions (dendrites) that can cause catastrophic short‐circuiting is one of the main obstacles, and progresses by a mechanism that is not yet fully understood. By utilizing X‐ray computed tomography with nanoscale resolution, the 3D morphology of lithium protrusions inside short‐circuited solid electrolytes has been obtained for the first time. Distinguishable from adjacent voids, lithium protrusions partially filled cracks that tended to propagate intergranularly through the solid electrolyte, forming a large waved plane in the shape of the grain boundaries. Occasionally, the lithium protrusions bifurcate into flat planes in a transgranular mode. Within the cracks themselves, lithium protrusions are preferentially located in regions of relatively low curvature. The crack volume filled with lithium in two samples is 82.0% and 83.1%, even though they have distinctly different relative densities. Pre‐existing pores in the solid electrolyte, as a consequence of fabrication, can also be part‐filled with lithium, but do not have a significant influence on the crack path. The crack/lithium‐protrusion behavior qualitatively supports a model of propagation combining electrochemical and mechanical effects

Design of experiments to generate a fuel cell electro-thermal performance map and optimise transitional pathways

The influence of the air cooling flow rate and current density on the temperature, voltage and power density is a challenging issue for air-cooled, open cathode fuel cells. Electro-thermal maps have been generated using large datasets (530 experimental points) to characterise these correlations, which reveal that the amount of cooling, alongside with the load, directly affect the cell temperature. This work uses the design of experiment (DoE) approach to tackle two challenges. Firstly, an S-optimal design plan is used to reduce the number of experiments from 530 to 555 to determine the peak power density in an electro-thermal map. Secondly, the design of experiment approach is used to determine the fastest way to reach the highest power density, yet limiting acute temperature gradients, via three intermediate steps of current density and air cooling rate

High-Performance Zinc–Air Batteries with Scalable Metal–Organic Frameworks and Platinum Carbon Black Bifunctional Catalysts

Metal-organic framework (MOF)-related derivatives have generated significant interest in numerous energy conversion and storage applications, such as adsorption, catalysis, and batteries. However, such materials' real-world applicability is hindered because of scalability and reproducibility issues as they are produced by multistep postsynthesis modification of MOFs, often with high-temperature carbonization and/or calcination. In this process, MOFs act as self-sacrificial templates to develop functional materials at the expense of severe mass loss, and the resultant materials exhibit complex process-performance relationships. In this work, we report the direct applicability of a readily synthesized and commercially available MOF, a zeolitic imidazolate framework (ZIF-8), in a rechargeable zinc-air battery. The composite of cobalt-based ZIF-8 and platinum carbon black (ZIF-67@Pt/CB) prepared via facile solution mixing shows a promising bifunctional electrocatalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), the key charge and discharge mechanisms in a battery. ZIF-67@Pt/CB exhibits long OER/ORR activity durability, notably, a significantly enhanced ORR stability compared to Pt/CB, 85 versus 52%. Interestingly, a ZIF-67@Pt/CB-based battery delivers high performance with a power density of >150 mW cm-2 and long stability for 100 h of charge-discharge cyclic test runs. Such remarkable activities from as-produced ZIF-67 are attributed to the electrochemically driven in situ development of an active cobalt-(oxy)hydroxide nanophase and interfacial interaction with platinum nanoparticles. This work shows commercial feasibility of zinc-air batteries as MOF-cathode materials can be reproducibly synthesized in mass scale and applied as produced

Superior multifunctional activity of nanoporous carbons with widely tuneable porosity: enhanced storage capacities for carbon-dioxide, hydrogen, water and electric charge

Nanoporous carbons (NPCs) with engineered specific pore sizes and sufficiently high porosities (both specific surface area and pore volume) are necessary for storing energy in the form of electric charges and molecules. Herein, NPCs, derived from biomass pine‐cones, coffee‐grounds, graphene‐oxide and metal‐organic frameworks, with systematically increased pore width (50 Wh kg−1 at high power density, 1000 W kg−1) are achieved to form the highest reported values among the range of carbons in the literature. The noteworthy energy storage performance of the NPCs for all five cases (CO2, H2, H2O, and capacitance in aqueous and organic electrolytes) is highlighted by direct comparison to numerous existing porous solids. A further analysis on the specific pore type governed physisorption capacities is presented

Dimensional analysis of 3D-printed acetabular cups for hip arthroplasty using X-ray microcomputed tomography

Purpose Three-dimensional (3D) printing is increasingly used to produce orthopaedic components for hip arthroplasty, such as acetabular cups, which show complex lattice porous structures and shapes. However, limitations on the quality of the final implants are present; thus, investigations are needed to ensure adequate quality and patients safety. X-ray microcomputed tomography (micro-CT) has been recognised to be the most suitable method to evaluate the complexity of 3D-printed parts. The purpose of this study was to assess the reliability of a micro-CT analysis method comparing it with reference systems, such as coordinate measuring machine and electron microscopy. Design/methodology/approach 3D-printed acetabular components for hip arthroplasty (n = 2) were investigated. Dimensions related to the dense and porous regions of the samples were measured. The micro-CT scanning parameters (voltage – kV, current – µA) were optimised selecting six combinations of beam voltage and current. Findings Micro-CT showed good correlation and agreement with both coordinate measuring machine and scanning electron microscopy when optimal scanning parameters were selected (130 kV – 100 µA to 180 kV – 80 µA). Mean discrepancies of 50 µm (± 300) and 20 µm (± 60) were found between the techniques for dense and porous dimensions. Investigation method such as micro-CT imaging may help to better understand the impact of 3D printing manufacturing technology on the properties of orthopaedic implants. Originality/value The optimisation of the scanning parameters and the validation of this method with reference techniques may guide further analysis of similar orthopaedic components