Perspectives on manufacturing simulations of Li-S battery cathodes

Lithium-Sulfur Batteries (LSBs) are one of the main contenders for next generation post lithium-ion batteries. As the process of scientific discovery advances, many of the challenges that prevent the commercial deployment of LSBs, specially at the most fundamental materials level, are slowly being addressed. However, batteries are complex systems that require not only from identifying suitable materials, but also from knowing how to assemble and manufacture all the components together in order to obtain an optimally working battery. This is not a simple task, as battery manufacturing is a multi-stepped, multi-parameter, highly correlated process, where many parameters compete, and deep knowledge of the systems is required in order to achieve the optimal manufacturing conditions, which has already been shown in the case of Lithium-Ion Batteries (LIBs). In these regards, manufacturing simulations have proven to be invaluable in order to advance in the knowledge of this exciting and technologically relevant field. Thus, in this work, we aim at providing future perspectives and opportunities that we think are interesting in order to create digital twins for the LSB manufacturing process. We also provide comprehensive and realistic ways in which already existing models could be adapted to LSBs in the short-term, and which are the challenges that might be found in the way.

Learning to discover: expressive Gaussian mixture models for multi-dimensional simulation and parameter inference in the physical sciences

We show that density models describing multiple observables with (i) hard boundaries and (ii) dependence on external parameters may be created using an auto-regressive Gaussian mixture model. The model is designed to capture how observable spectra are deformed by hypothesis variations, and is made more expressive by projecting data onto a configurable latent space. It may be used as a statistical model for scientific discovery in interpreting experimental observations, for example when constraining the parameters of a physical model or tuning simulation parameters according to calibration data. The model may also be sampled for use within a Monte Carlo simulation chain, or used to estimate likelihood ratios for event classification. The method is demonstrated on simulated high-energy particle physics data considering the anomalous electroweak production of a $Z$ boson in association with a dijet system at the Large Hadron Collider, and the accuracy of inference is tested using a realistic toy example. The developed methods are domain agnostic; they may be used within any field to perform simulation or inference where a dataset consisting of many real-valued observables has conditional dependence on external parameters.

Neuromaps: structural and functional interpretation of brain maps

Imaging technologies are increasingly used to generate high-resolution reference maps of brain structure and function. Modern scientific discovery relies on making comparisons between new maps (e.g. task activations, group structural differences) and these reference maps. Although recent data sharing initiatives have increased the accessibility of such brain maps, data are often shared in disparate coordinate systems (or ``spaces''), precluding systematic and accurate comparisons among them. Here we introduce the neuromaps toolbox, an open-access software package for accessing, transforming, and analyzing structural and functional brain annotations. We implement two registration frameworks to generate high-quality transformations between four standard coordinate systems commonly used in neuroimaging research. The initial release of the toolbox features >40 curated reference maps and biological ontologies of the human brain, including maps of gene expression, neurotransmitter receptors, metabolism, neurophysiological oscillations, developmental and evolutionary expansion, functional hierarchy, individual functional variability, and cognitive specialization. Robust quantitative assessment of map-to-map similarity is enabled via a suite of spatial autocorrelation-preserving null models. By combining open-access data with transparent functionality for standardizing and comparing brain maps, the neuromaps software package provides a systematic workflow for comprehensive structural and functional annotation enrichment analysis of the human brain.

Fostering Interdisciplinary Research Culture, Challenges and Way Forward: The Universiti Malaya Experience

Interdisciplinary research (IDR) exploring beyond the purview of a single discipline is critical for providing the requisite solutions to real-world issues. Furthermore, the process of translating research that could have a positive impact on and benefit the government, industry and society, typically requires a multipronged approach with inputs and solutions integrated from various disciplines. Therefore, IDR is vital in pushing the different disciplines forward and accelerating scientific discovery in innovative ways. Nonetheless, the move towards encouraging researchers to break away from working in silos to working together has been an extremely challenging task. Doubtlessly, interdisciplinary programmes demand much more involvement and exhaustive effort from researchers per se as they require not only academic scholarship but also soft skills to communicate, network and engage with other researchers from diversified disciplines, various stakeholders and beneficiaries. In addition to that, good leadership and all-rounded teamwork support are required in navigating and ensuring the success of the research programme to deliver its intended outcome and impact. In light of this, this opinion paper discusses some of the challenges confronted in fostering IDR at the Universiti Malaya and suggestions on approaches that could be adopted to garner the interest and move it forward.

Dedicated to the 95th anniversary of the outstanding scientist Academician of the National Academy of Sciences of Ukraine V.L. RVACHOV

The article is dedicated to the outstanding scientist of the twentieth century, Academician of the National Academy of Sciences of Ukraine Volodymyr Logvynovych Rvachev, who would have turned 95 in 2021. At one time VL Rvachev was the first rector of HIRE, in 1970 he became head of the Department of Theoretical and Mathematical Physics of KhPI (now it is the Department of Applied Mathematics). The name of this famous scientist is included in the golden pages of the history of mathematics and mechanics. The R-functions theory, as the main scientific discovery of his life, forever glorified VL Rvachev as a great scientist. He created also scientific school which is world-famous due to the numerous implementations and uniqueness of the RFM method. The main biographical data of the famous scientist are presented in the work, the versatility of the talented person, the depth of his life views, the breadth of horizons are emphasized. Particular attention is paid to the development and further application of the R-functions theory to solve modern problems. The response of close people, students and followers who remember their great Teacher is presented in words of gratitude to Volodymyr Logvynovych.

Równania mądrzejsze od swych odkrywców

This article aims to critically analyse the concept of the development of science, as proposed by Wojciech Sady in the work Struktura rewolucji relatywistycznej i kwantowej w fizyce [The Structure of the Relativity and Quantum Revolution in Physics]. The author uses Ludwik Fleck’s concept of thought styles and thought collectives to analyse the problem of how two great scientific revolutions took place in 20th-Century physics in terms of the rise of quantum theory and special relativity. Sady argues that the way of thinking of scientists is determined by the particular thought style in which they were educated, and that great scientific discoveries are not the result of “creative imagination”, but a product of deductive reasoning, in which scholars closely adhere to the formalism of mathematical theory and the results of experiments. Therefore, scientific discovery in physics is made “on paper” rather than “in the mind of a scientist.” In the “battle of equations with the imagination,” equations always win, and scientific discovery is more a result of the work of a scientific community than solitary geniuses, and can only be made at the right time in history, called the “discoverygenic situation.” The concept of the development of science presented in The Structure is directed against the incommensurability thesis and the indeterminacy thesis.

The Mythologeme «Conspiracy Theory» in the Modern Civilization Space

Modern civilization space is characterized by a high level of technical and scientific discovery, however, mythological consciousness and belief in conspiracy theories still exist. The article deals with one of the popular mythologies of modern civilization – the conspiracy theory. The relevance of the presented research is due to the importance of considering from the position of linguistic and cultural understanding the mechanisms of the generation and spread of myths in the modern communicative mass consciousness, which actively appeals to mythologems, despite the highly developed science. The analysis of a wide range of theoretical sources of both Russian and foreign authors is carried out in order to comprehensively study the stated issue. The description of universal and ethnospecific mythologies of the modern civilizational space is given, which indicates both the globalization processes and the uniqueness of the value system of each country, respectively. The determination of the values that make up the conspiracy discourse, the dominant “evil”, remains constant. The analysis of the empirical research material is carried out in line with the linguistic and cultural approach with the involvement of elements of frame analysis and discourse analysis. Special attention is paid to the issues of the structure of the conspiracy theory, as well as to the conspiratorial discourse, within which the frame «conspiracy theory» gets its implementation. When describing the «Conspiracy Mystery» frame, its hierarchically ordered structure is noted, which consists of interconnected subframes and slots. The analysis made it possible to determine the common characteristics of the «conspiracy theory» frame, as well as to identify areas of ethno-cultural reflection. The structure of the conspiracy discourse is described: participants, chronotope, value priorities, and strategies. It is noted that most of the theories under consideration are universal, but local ones that are widespread within a certain state remain.