By: Neal Dawson-Elli, Seong Beom Lee, Manan Pathak, Kishalay Mitra, and Venkat R. Subramanian

This article refers to a recently published open access paper in the Journal of The Electrochemical Society, “Data Science Approaches for Electrochemical Engineers: An Introduction through Surrogate Model Development for Lithium-Ion Batteries.”

Electrochemistry and Data Science

Image via Neal Dawson-Elli
(Click to enlarge.)

Data science is often hailed as the fourth paradigm of science. As the computing power available to researchers increases, data science techniques become more and more relevant to a larger group of scientists. A quick literature search for electrochemistry and data science will reveal a startling lack of analysis done on the data science side. This paper is an attempt to help introduce the topics of data science to electrochemists, as well as to analyze the power of these methods when combined with physics-based models.

At the core of the paper is the idea that one cannot be successful treating every problem as a black box and applying liberal use of data science – in other words, despite its growing popularity, it is not a panacea. The image shows the basic workflow for using data science techniques – the creation of a dataset, splitting into training-test pairs, training a model, and then evaluating the model on some task. In this case, the training data comes from many simulations of the pseudo two-dimensional lithium-ion battery model. However, in order to get the best results, one cannot simply pair the inputs and outputs and train a machine learning model on it. The inputs, or features, must be engineered to better highlight changes in your output data, and sometimes the problem needs to be totally restructured in order to be successful.

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ECS Eliminates Color Charges

On January 1, 2018, ECS eliminated all charges for color figures published in the Journal of The Electrochemical Society (JES) and the ECS Journal of Solid State Science and Technology (JSS).

Figures may now be represented in color at no cost to authors in print-on-demand issues of JES and JSS.

Please note: ECS no longer offers print subscriptions to volumes of JES or JSS. Print editions of individual issues within each volume are only available as print-on-demand copies.

To have your figures represented in color in a print-on-demand issue, you must indicate that you wish to have color figures in the issue on the financial information page of your submission form.

If you do not select this option, your color figures will be converted to black and white or grayscale in the print-on-demand issue.

ECS’s decision to eliminate color charges aligns closely with the Society’s continual efforts to Free the Science, removing the barriers impeding authors from publishing their research in the formats they believe to be the most accessible and impactful. Submit today!

Journal of The Electrochemical SocietyOver 1,840 articles were published in ECS journals in 2017, ranging from battery technology to materials science. Among those articles, “The Development and Future of Lithium Ion Batteries” by ECS member of 48 years, George E. Blomgren, stood out as the most downloaded paper of the year, with over 25,000 downloads in total.

The open access paper was published in the Journal of The Electrochemical Society (JES) and has held the number one top download spot for the majority of the year. In November 2017 alone, it hit a record-setting 4,080 downloads. Blomgren credited the paper’s outstanding success to the continued surging interest in lithium-ion batteries, a technology that has made its profound mark on consumer electronics such as cellphones and computers, and continues to be applied to emerging innovations ranging from large scale energy storage to electric vehicles.

The paper, which highlights the past, present, and future of battery science and technology, was published as part of the JES Focus Issue of Selected Papers from IMLB 2016 with Invited Papers Celebrating 25 Years of Lithium Ion Batteries. The focus issue contains contributions from veteran scientists considered by many to be founding fathers in lithium battery science, including Emanuel Peled, Tetsuya Osaka, Zempachi Ogumi, Jeff Dahn, Robert Huggins, and of course, Blomgren.

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The Glenn E. Stoner Collection, which contains 17 articles Stoner published in the Journal of The Electrochemical Society, is available to read for free in the ECS Digital Library.

This sponsored collection was generously supported by Stoner’s former students, friends, and colleagues to honor the significant contributions that he made to electrochemistry and teaching.

Original plans for the collection arose during a conversation between Pat Moran, professor at the U.S. Naval Academy and member of the Free the Science Advisory Board, and E. J. Taylor, ECS treasurer and cochair of the Free the Science Advisory Board.

While the two were discussing the importance of the Free the Science initiative to the future of ECS, Moran proposed that they establish a collection in honor of their graduate advisor, Glenn E. Stoner.

A cohort of former classmates from the University of Virginia, including Paul Natishan and UVA professor Rob Kelly, took things from there, reaching out to friends, colleagues, and companies influenced by Stoner’s teaching and work.

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Discover the Hugh Isaacs Collection

Earlier this year, a group in the ECS Corrosion Division mobilized a push to honor the work and memory of the late Hugh Isaacs, who passed away on December 5, 2016. Isaacs had been an ECS member since 1967 and is recognized as an ECS fellow.

The group unified donors among Isaacs’s family, friends, and colleagues in an effort to commemorate all he contributed as an impassioned champion of electrochemical science and engineering, and as a preeminent figure in the corrosion community. Isaacs’s widow, Sheila Isaacs, contributed an anchor gift that helped make their endeavor possible.

Their work culminated in the creation of the Hugh Isaacs Collection, a sponsored collection containing all 45 of the articles Isaacs published in the Journal of The Electrochemical Society. The collection is currently available in the ECS Digital Library. Read now!

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Focus IssuesSubmit your manuscripts to the Journal of The Electrochemical Society (JES) Focus Issue on The Brain and Electrochemistry, Honoring R. Mark Wightman and Christian Amatore by March 11, 2018.

This focus issue of the JES is devoted to work at the juncture of electrochemistry, the brain, and the nervous system.

The issue will provide a forum for the discussion of research and developments on how the central (CNS) and the peripheral nervous systems (PNS) can be viewed and studied in terms of electrical circuits and electrochemical sensors, reactions and methods. This issue, as well as the The Brain and Electrochemistry symposium held at the 232nd ECS Meeting in October 2017, was inspired by the works of Christian Amatore from the Ecole Normale Supérieure and Mark Wightman from the University of North Carolina at Chapel Hill. They dedicated their careers to this topic, trained and influenced countless researchers over the years.

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ECS to Require ORCID iD

As of January 1, 2018, ECS will require all corresponding authors to have an ORCID iD in order to submit to the Journal of The Electrochemical Society or the ECS Journal of Solid State Science and Technology. ORCID iDs will be published in accepted articles and included in articles’ metadata to improve content discoverability and citation.

Contributing authors who would like their ORCID iDs displayed along with the corresponding author’s iD will need to update their profiles in ECSxPress with their ORCID iDs prior to their paper’s acceptance.

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By: Yanbo Qi, Taejin Jang, Venkatasailanathan Ramadesigan, Daniel T. Schwartz, and Venkat R. Subramanian

This article refers to a recently published open access paper in the Journal of the Electrochemical Society, “Is There a Benefit in Employing Graded Electrodes for Lithium-Ion Batteries?

The contour plot for the resistance of a 2-layer graded cathode with different porosity combinations. Layer 1 is the layer near the separator, and layer 2 is near the current collector. The blue dot represents the point of minimum resistance (5.1164 Ω-cm2) for the 2-layer graded electrode. The diagonal line of ε1 = ε2 is equivalent to the single layer uniform case. The intersection point (5.3510 Ω-cm2) of the diagonal line with the contour is the optimal point for single layer design. The hatched area inside the contour represents the search space for 2-layer graded electrode design with resistance no bigger than the uniform optimal case. By introducing the 2-layer graded electrode structure, the feasible region changes from a point to a reasonably sized area. With the extra freedom in design, more objectives can be considered without resulting in an electrode with higher resistance.

Functionally graded materials have been widely developed in various fields, including the solid oxide fuel cells. However, its application in batteries is less common. Using simulation and optimization, both benefits and negligible improvement have been reported in the literature, depending on how the problem is formulated. The cases where people saw little impact by incorporating graded electrode design are cases where only one design objective, the energy density, is considered. While the cases where bigger improvement was reported are either compared to a base case as opposed to the best single layer case or considered with more than one design objectives.

In a recently published paper, we shared our opinion on this controversial topic. We applied two different optimization approaches to the secondary current distribution porous electrode model to confirm the optimal profiles acquired, and to facilitate the multi-objective optimizations later on. When looking at a single objective, minimizing the overall electrode resistance, and comparing with the optimal single layer case, only 4-6% modest reduction can be achieved. Therefore, we agree with the conclusion that for single objective optimization, graded structure does not make a big difference.

However, electrode design is not a simple matter where only one goal is desired. One of the powerful features of battery modeling is that it can give us insights on battery’s internal status, which is difficult to get otherwise. In our paper, we minimized the value and distribution of activation overpotential inside the electrode along with the overall resistance. What we discovered is that even though doing graded electrode cannot reduce the overall resistance much, with the extra design freedom in porosity distribution, the search space increased dramatically in the 2-layer graded electrode case compared to the single uniform layer case. The extra design space is very important in multi-objective optimization, allowing us to take into account other design considerations, including controlling the internal status. We believe that the value of graded electrode lies in the enlarged search space for additional design considerations, not just the improvement in a single objective.

Aligned with ECS’s commitment to Free the Science, we also believe that open access facilitates collaboration and speeds up scientific advancement. We have developed a free electrode design tool on our website (http://depts.washington.edu/maple/Design.html). This open access executable code is readily runnable on any Windows computer without extra software requirement. The tool allows users to change model parameters, thus can accommodate any electrode chemistry. Detailed explanation and instructions can be found on the webpage. We hope that this tool can help the community to achieve better battery performance.

Focus IssuesSubmit your manuscripts to the Journal of The Electrochemical Society (JES) Focus Issue on Processes at the Semiconductor-Solution Interface by October 22, 2017.

This issue of JES will address the most recent developments in processes at the semiconductor-solution interface including etching, oxidation, passivation, film growth, electrochemical and photoelectrochemical processes, water splitting, electrochemical surface science, electroluminescence, photoluminescence, surface texturing, and compound semiconductor electrodeposition, for photovoltaics, energy conversion and related topics.

It will include both invited and contributed papers on both fundamental and applied topics of both bulk and nanoscale materials. The following areas are of particular interest:

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Stephen MaldonadoStephen Maldonado is an associate professor at the University of Michigan, where he leads a research group that focuses on the study of heterogeneous charge transfer processes relevant to the fields of electronics, chemical sensing, and energy conversion/storage technologies. He was recently reappointed as an associate editor for the Journal of The Electrochemical Society (JES) in the area of physical and analytical electrochemistry, electrocatalysis, and photoelectrochemistry.

ECS: When did you become an ECS associate editor? What made you pursue an editorial role at ECS?

Stephen Maldonado: I started my time as an ECS associate editor in 2014. I pursued the opportunity for two different reasons. The minor reason was that I was genuinely curious about the “sausage making” process of accepting/rejecting a paper. That is, as an author, I had prepared and submitted plenty of papers but I had little idea about the other side of it. I had reviewed plenty of papers, too, but how those reviews factored into the final fate of the submission was a mystery.

The major reason, though, is that electrochemistry has been a principal aspect of my adult life. I got into science because, at a fundamental level, I thought electrochemistry was cool. Accordingly, my interests were aligned with the ECS at the start and it has been a major influence on my professional development. After getting tenure, I felt the time was right to give back to this community. So when I was asked to consider the position, I jumped at the chance.

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