Machine Learning Based Lifetime Prediction of Lithium-Ion Cells

Precise lifetime predictions for lithium‐ion cells are crucial for efficient battery development and thus enable profitable electric vehicles and a sustainable transformation towards zero‐emission mobility. However, limitations remain due to the complex degradation of lithium‐ion cells, strongly influenced by cell design as well as operating and storage conditions. To overcome them, a machine learning framework is developed based on symbolic regression via genetic programming. This evolutionary algorithm is capable of inferring physically interpretable models from cell aging data without requiring domain knowledge. This novel approach is compared against established approaches in case studies, which represent common tasks of lifetime prediction based on cycle and calendar aging data of 104 automotive lithium‐ion pouch‐cells. On average, predictive accuracy for extrapolations over storage time and energy throughput is increased by 38% and 13%, respectively. For predictions over other stress factors, error reductions of up to 77% are achieved. Furthermore, the evolutionary generated aging models meet requirements regarding applicability, generalizability, and interpretability. This highlights the potential of evolutionary algorithms to enhance cell aging predictions as well as insights

Influence of Lung Reconstruction Algorithms on Interstitial Lung Pattern Recognition on CT.

BACKGROUND  Despite current recommendations, there is no recent scientific study comparing the influence of CT reconstruction kernels on lung pattern recognition in interstitial lung disease (ILD). PURPOSE  To evaluate the sensitivity of lung (i70) and soft (i30) CT kernel algorithms for the diagnosis of ILD patterns. MATERIALS AND METHODS  We retrospectively extracted between 15-25 pattern annotations per case (1 annotation = 15 slices of 1 mm) from 23 subjects resulting in 408 annotation stacks per lung kernel and soft kernel reconstructions. Two subspecialized chest radiologists defined the ground truth in consensus. 4 residents, 2 fellows, and 2 general consultants in radiology with 3 to 13 years of experience in chest imaging performed a blinded readout. In order to account for data clustering, a generalized linear mixed model (GLMM) with random intercept for reader and nested for patient and image and a kernel/experience interaction term was used to analyze the results. RESULTS  The results of the GLMM indicated, that the odds of correct pattern recognition is 12 % lower with lung kernel compared to soft kernel; however, this was not statistically significant (OR 0.88; 95%-CI, 0.73-1.06; p = 0.187). Furthermore, the consultants' odds of correct pattern recognition was 78 % higher than the residents' odds, although this finding did not reach statistical significance either (OR 1.78; 95%-CI, 0.62-5.06; p = 0.283). There was no significant interaction between the two fixed terms kernel and experience. Intra-rater agreement between lung and soft kernel was substantial (κ = 0.63 ± 0.19). The mean inter-rater agreement for lung/soft kernel was κ = 0.37 ± 0.17/κ = 0.38 ± 0.17. CONCLUSION  There is no significant difference between lung and soft kernel reconstructed CT images for the correct pattern recognition in ILD. There are non-significant trends indicating that the use of soft kernels and a higher level of experience lead to a higher probability of correct pattern identification. KEY POINTS   · There is no significant difference between lung and soft kernel reconstructed CT images for the correct pattern recognition in interstitial lung disease.. · There are even non-significant tendencies that the use of soft kernels lead to a higher probability of correct pattern identification.. · These results challenge the current recommendations and the routinely performed separate lung kernel reconstructions for lung parenchyma analysis.. CITATION FORMAT · Klaus JB, Christodoulidis S, Peters AA et al. Influence of Lung Reconstruction Algorithms on Interstitial Lung Pattern Recognition on CT. Fortschr Röntgenstr 2022; DOI: 10.1055/a-1901-7814

The origin of large molecules in primordial autocatalytic reaction networks

Large molecules such as proteins and nucleic acids are crucial for life, yet their primordial origin remains a major puzzle. The production of large molecules, as we know it today, requires good catalysts, and the only good catalysts we know that can accomplish this task consist of large molecules. Thus the origin of large molecules is a chicken and egg problem in chemistry. Here we present a mechanism, based on autocatalytic sets (ACSs), that is a possible solution to this problem. We discuss a mathematical model describing the population dynamics of molecules in a stylized but prebiotically plausible chemistry. Large molecules can be produced in this chemistry by the coalescing of smaller ones, with the smallest molecules, the `food set', being buffered. Some of the reactions can be catalyzed by molecules within the chemistry with varying catalytic strengths. Normally the concentrations of large molecules in such a scenario are very small, diminishing exponentially with their size. ACSs, if present in the catalytic network, can focus the resources of the system into a sparse set of molecules. ACSs can produce a bistability in the population dynamics and, in particular, steady states wherein the ACS molecules dominate the population. However to reach these steady states from initial conditions that contain only the food set typically requires very large catalytic strengths, growing exponentially with the size of the catalyst molecule. We present a solution to this problem by studying `nested ACSs', a structure in which a small ACS is connected to a larger one and reinforces it. We show that when the network contains a cascade of nested ACSs with the catalytic strengths of molecules increasing gradually with their size (e.g., as a power law), a sparse subset of molecules including some very large molecules can come to dominate the system.Comment: 49 pages, 17 figures including supporting informatio

Using RNA-Seq for gene identification, polymorphism detection and transcript profiling in two alfalfa genotypes with divergent cell wall composition in stems

<p>Abstract</p> <p>Background</p> <p>Alfalfa, [<it>Medicago sativa </it>(L.) sativa], a widely-grown perennial forage has potential for development as a cellulosic ethanol feedstock. However, the genomics of alfalfa, a non-model species, is still in its infancy. The recent advent of RNA-Seq, a massively parallel sequencing method for transcriptome analysis, provides an opportunity to expand the identification of alfalfa genes and polymorphisms, and conduct in-depth transcript profiling.</p> <p>Results</p> <p>Cell walls in stems of alfalfa genotype 708 have higher cellulose and lower lignin concentrations compared to cell walls in stems of genotype 773. Using the Illumina GA-II platform, a total of 198,861,304 expression sequence tags (ESTs, 76 bp in length) were generated from cDNA libraries derived from elongating stem (ES) and post-elongation stem (PES) internodes of 708 and 773. In addition, 341,984 ESTs were generated from ES and PES internodes of genotype 773 using the GS FLX Titanium platform. The first alfalfa (<it>Medicago sativa</it>) gene index (MSGI 1.0) was assembled using the Sanger ESTs available from GenBank, the GS FLX Titanium EST sequences, and the <it>de novo </it>assembled Illumina sequences. MSGI 1.0 contains 124,025 unique sequences including 22,729 tentative consensus sequences (TCs), 22,315 singletons and 78,981 pseudo-singletons. We identified a total of 1,294 simple sequence repeats (SSR) among the sequences in MSGI 1.0. In addition, a total of 10,826 single nucleotide polymorphisms (SNPs) were predicted between the two genotypes. Out of 55 SNPs randomly selected for experimental validation, 47 (85%) were polymorphic between the two genotypes. We also identified numerous allelic variations within each genotype. Digital gene expression analysis identified numerous candidate genes that may play a role in stem development as well as candidate genes that may contribute to the differences in cell wall composition in stems of the two genotypes.</p> <p>Conclusions</p> <p>Our results demonstrate that RNA-Seq can be successfully used for gene identification, polymorphism detection and transcript profiling in alfalfa, a non-model, allogamous, autotetraploid species. The alfalfa gene index assembled in this study, and the SNPs, SSRs and candidate genes identified can be used to improve alfalfa as a forage crop and cellulosic feedstock.</p

Post-mortem analysis of calendar aged large-format lithium-ion cells: Investigation of the solid electrolyte interphase

Although the growth of the solid electrolyte interphase is considered one of the most important degradation phenomena of lithium-ion cells, the mechanism is not yet fully understood. In this work, we present a detailed post-mortem analysis of calendar aged large-format graphite/Li(Ni1/3Mn1/3Co1/3)O-2-based lithium-ion cells. X-ray photoelectron spectroscopy depth profiling reveals a distinct coherence of the growth of the solid electrolyte interphase with the phases of the lithiated graphite. Since the graphite phases are in direct correlation with the state of charge and the anode potential, the thickness of the SEI resulting from calendar aging is determined by the storage state of charge. The composition of the SEI has been analyzed as mainly organic near to the electrolyte and more inorganic towards the carbon active material. The same dependency as of the state of charge on the SEI thickness is found for the capacity retention and for the amount of irreversibly lost lithium. Additionally, gas is formed during the aging period and trapped in between the electrodes, leading to associated inhomogeneous lithium plating

The influence of the anode overhang effect on the capacity of lithium-ion cells – a 0D-modeling approach

In this work, the behavior of the anode overhang effect in lithium-ion cells is experimentally investigated and simulated for experimental three electrode cells. An empirical method is presented to transfer the simple 0Dmodel from the experimental cell level to pouch cells. An anode overhang model will help to correctly interpret cyclic and calendaric aging experiments e.g. in terms of a more reliable and detailed separation of reversible and irreversible capacity losses as well as evaluating the actual state of health of a lithium-ion battery. For the three electrode cells different cathode diameters are used to modulate different sized anode overhang areas. Moreover, the influence of different state of charges on the reversible capacity effect is investigated. To examine the influence of the separator on the evolution of usable cell capacity different separator thicknesses are applied. It is found that the properties of the separator significantly influence the rate at which balancing processes between overhang and active region take place. The results show good accordance of the experimental results to the simulation

SwissRegulon : a database of genome-wide annotations of regulatory sites: recent updates

Identification of genomic regulatory elements is essential for understanding the dynamics of cellular processes. This task has been substantially facilitated by the availability of genome sequences for many species and high-throughput data of transcripts and transcription factor (TF) binding. However, rigorous computational methods are necessary to derive accurate genome-wide annotations of regulatory sites from such data. SwissRegulon (http://swissregulon.unibas.ch) is a database containing genome-wide annotations of regulatory motifs, promoters and TF binding sites (TFBSs) in promoter regions across model organisms. Its binding site predictions were obtained with rigorous Bayesian probabilistic methods that operate on orthologous regions from related genomes, and use explicit evolutionary models to assess the evidence of purifying selection on each site. New in the current version of SwissRegulon is a curated collection of 190 mammalian regulatory motifs associated with ∼340 TFs, and TFBS annotations across a curated set of ∼35 000 promoters in both human and mouse. Predictions of TFBSs for Saccharomyces cerevisiae have also been significantly extended and now cover 158 of yeast's ∼180 TFs. All data are accessible through both an easily navigable genome browser with search functions, and as flat files that can be downloaded for further analysis