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A checklist for verifiable battery modeling research

Post, October 12, 2021 • Do you ever find battery modeling papers that don't quite have all of the requisite modeling details for you to replicate or understand the results? In collaboration with 28 other researchers from around the globe through the BMWS community, we published an article in ACS Energy Letters proposing a checklist...

Cryo SEM identifies relationship between pressure and short circuits

Post, January 4, 2022 • In a collaborative paper recently published in iScience, we use novel cryogenic electron microscopy to show the relationship between eternally applied pressure, lithium dendrite growth, and short circuits in lithium batteries. While pressure improves Li inventory retention at high currents, higher pressures promotes sh ort circuits. Thicker or multiple separators...

DEM Battery Manufacturing Paper Published in ACS Appl. Mater. Interfaces

Post, July 16, 2020 • Our latest paper, covering large-scale discrete element simulations of the manufacturing process of lithium-ion battery electrodes, was published in ACS Applied Materials & Interfaces.  Images from this paper were also selected as cover art for the issue. This was our first paper with post-doc Ishan Srivastava and represents over two...

Effect of battery electrode manufacturing heterogeneity on transport properties

Post, January 4, 2022 • Ph.D. student Chance Norris published his first first-author paper in ACS Applied Materials & Interfaces! In this work, we study the heterogeneity of commercially manufactured graphite electrodes for lithium-ion batteries using x-ray computed tomography and computational simulation. This heterogeneity spans multiple length scales, from the particle shape/morphology to that spanning...

Jamming simulations published in Physical Review Research

Post, August 17, 2021 • Our latest article on simulations of the jamming of bidisperse frictional spheres was published in Physical Review Research. In this study, led by former post-doc Ishan Srivastava, we performed discrete element simulations on domains as large as 10 million particles to determine the maximum packing fractions for a wide selection...

Job Openings in Multi-Scale, Multi-Physics Modeling

Post, July 13, 2021 • We have multiple post-doctoral appointment openings in the broad area of multi-scale, multi-physics modeling. Areas of study include electrochemistry, batteries, composites, and manufacturing processes. Work will involve physics-informed machine learning, image-based simulation, and multi-physics modeling using high performance computing. Interested US citizen candidates can apply at the Sandia Careers page.

Job Openings in TPS Modeling – POSTINGS CLOSED

Post, September 9, 2020 • My department has new postings for post-doc and staff positions in thermal protection system modeling.  The candidate could be performing research on Sandia’s extensive high-performance computing assets using leading-edge multi-physics simulation codes and interacting with manufacturing experts and experimentalists to develop next-generation TPS materials.   The candidate will show skills and interest in research spanning...

Kintsugi imaging paper published in JES

Post, July 18, 2022 • Imaging as-manufactured battery electrodes is important for determining their performance, yet it is often difficult to segment images from scanning electron microscopy due to the electrons' ability to see through pores. In a paper recently published in the Journal of the Electrochemical Society (doi: 10.1149/1945-7111/ac7a68), Scott, along with collaborators at...

Making a Case for Battery Modeling

Post, December 18, 2020 • In collaboration with seven other authors from around the battery modeling community, I recently "Made a Case for Battery Modeling" in the latest version of the Electrochemical Society Interface Magazine.  In this work, we presented a brief overview of the impact of computational simulation and modeling on battery technologies and...

Method of calculating diffusion coefficient from GITT published in ACS AEM

Post, October 25, 2021 • What is “the diffusion coefficient”? A harder question than we first thought. In a new paper in ACS Applied Energy Materials, we show a more objective and accurate way to calculate the diffusion coefficient from GITT data specific to its end use. We realized that the diffusion coefficient used in...

Multi-fidelity Thermal Battery Model Published in J. Power Sources

Post, January 13, 2021 • Thermal batteries involve complex multi-physics interactions.  We have developed a detailed computational model for a single thermal battery cell including thermal, species and current transport, and electrochemical reactions.  We also compare the tradeoffs between model fidelity, accuracy of predicting key quantities of interest, and computational expense.  This article can be read...

Perspective on machine learning in electrochemistry published in ACS Energy Letters

Post, April 7, 2021 • This article, which was written in collaboration with international battery modeling and machine learning experts from Argonne NL (A. Mistry), Carnegie Mellon (V. Viswanathan), Imperial College (S. Cooper), and LRCS (A. Franco), discusses how machine learning has impacted the electrochemical sciences over the past decade.  Even more importantly, is proposes...

Perspective on moving boundary conditions published in JES

Post, September 13, 2021 • In a recent perspective article in the Journal of the Electrochemical Society, Scott Roberts, in collaboration with the research group of Prof. Venkat Subramanian at the University of Texas, Austin, discussed how proper formulation of boundary conditions for moving boundary problems (such as growth of dendrites on lithium during cycling)...

Postdoctoral openings in hypersonics TPS M&S

Post, July 5, 2022 • I am actively recruiting for multiple post-doctoral positions in modeling and simulation of thermal protection system (TPS) materials for hypersonic vehicles. Requires a Ph.D in a science/engineering discipline with prior modeling and simulation experience and U.S. citizenship. If you're interested, apply at the link below and reach out to me...

Scott Named Associate Editor of J. Electrochemical Energy Conversion and Storage

Post, March 1, 2021 • Scott is honored to be appointed to a three-year term as an Associate Editor for the Journal of Electrochemical Energy Conversion and Storage, published by the ASME.  He will be overseeing papers in a wide variety of areas, including batteries, capacitors, fuel cells, etc.  He will also be working to increase...

Scott Organizing Minisymposium on Image-Based Simulation at USNCCM

Post, January 18, 2021 • If you are involved in any aspect of image-based simulation of as-built materials/components, including image processing, discretization, and physicss simulation, consider submitting a talk abstract to my minisymposium at the 16th US National Congress on Computational Mechanics (USNCCM) this summer in Chicago, IL.  Abstracts are due February 5.

Scott Presents Invited Lecture at 2nd at ARTISTIC Battery Manufacturing Days

Post, July 13, 2021 • https://www.youtube.com/watch?v=VYiHXtkQalk Scott presented an invited lecture entitled “Mesoscale Mechanics: Simulating the Role of Stress on Electrode Electrochemical Performance” at the ARTISTIC project Second Battery Manufacturing Days in late June 2021.  The recording of this presentation is now available online.

Scott Presents Invited Lecture at ARTISTIC Battery Manufacturing Days

Post, July 31, 2020 • https://youtu.be/1J3DHal-9Ho Scott presented an invited lecture entitled "Electrode Mesoscale Morphology: How 3D Imaging Combined with Predictive Simulation Improves Performance Insight" at the ARTISTIC project First Battery Manufacturing Days in late June 2020.  The recording of this presentation is now available online.

Scott Promoted to Distinguished R&D Engineer

Post, July 13, 2021 • Scott was recently promoted to Distinguished R&D Engineer (DMTS) in recognition of his impact to the organization. This "special appointment" will provide Scott the opportunity to have additional programmatic and leadership roles within Sandia.

TABS Wins NNSA DPAE Award

Post, November 4, 2020 • The Thermally Activated Battery Simulator (TABS) development team was recently awarded the National Nuclear Security Administration's (NNSA) Defense Programs "Exceptional Achievement" award.  Our team has developed TABS as a computational model and intuitive user interface for designing thermal batteries.  We have deployed TABS to significantly reduce design cycles and qualify new...

Uncertainty in image-based simulation published in Nature Communications

Post, September 28, 2021 • Image segmentation is a necessary component of image-based simulations for digital twins. In our recent paper in Nature Communications we develop a method for automated simulations based on 3D images that incorporates the impact of image segmentation uncertainty on physics simulations. This work will prove useful for a variety of...