Aashutosh Mistry
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View article: The Chalkboard: Aqueous Batteries 2.0: A Noble Pursuit or a Fool’s Errand?
The Chalkboard: Aqueous Batteries 2.0: A Noble Pursuit or a Fool’s Errand? Open
Lithium-ion batteries are a shining example of our community’s contribution to the world. While the pre-lithium-ion world was dominated by aqueous batteries such as lead-acid, alkaline zinc, and nickel–metal hydride (i.e., Aqueous Batterie…
View article: Multiple <i>Operando</i> Fields Can Identify a Predictive Mass Transport Theory in Electrolytes
Multiple <i>Operando</i> Fields Can Identify a Predictive Mass Transport Theory in Electrolytes Open
An electrolyte transport theory connects its transport properties, evolution of spatiotemporal fields (e.g., concentration), and corresponding macroscopic current and voltage responses. Given this interconnection, the transport properties …
View article: Mapping Spatiotemporal Solvent Velocity from Measured Concentration Gradients in a Polarized Electrolyte
Mapping Spatiotemporal Solvent Velocity from Measured Concentration Gradients in a Polarized Electrolyte Open
The electric-field induced motion of neutral species impedes the efficacy of electrochemical devices. By combining operando X-ray transmission measurements with continuum mechanics, we have developed a methodology for determining the veloc…
View article: A Primitive Model for Predicting Membrane Currents in Excitable Cells Based Only on Ion Diffusion Coefficients
A Primitive Model for Predicting Membrane Currents in Excitable Cells Based Only on Ion Diffusion Coefficients Open
Classical models for predicting current flow in excitable cells such as axons, originally proposed by Hodgkin and Huxley, rely on empirical voltage-gating parameters that quantify ion transport across sodium and potassium ion channels. We …
View article: Probing transference and field-induced polymer velocity in block copolymer electrolytes
Probing transference and field-induced polymer velocity in block copolymer electrolytes Open
View article: How machine learning can extend electroanalytical measurements beyond analytical interpretation
How machine learning can extend electroanalytical measurements beyond analytical interpretation Open
Machine learning can simultaneously infer multiple physics-consistent material properties from electroanalytical tests, as well as describe underlying field variations.
View article: Comparing Experimentally-Measured Sand’s Times with Concentrated Solution Theory Predictions in a Polymer Electrolyte
Comparing Experimentally-Measured Sand’s Times with Concentrated Solution Theory Predictions in a Polymer Electrolyte Open
We compare the electrochemically measured Sand’s time, the time required for the cell potential to diverge when the applied current density exceeds the limiting current, with theoretical predictions for a 0.47 M poly(ethylene oxide) (5 kg …
View article: On Relative Importance of Vehicular and Structural Motions in Defining Electrolyte Transport
On Relative Importance of Vehicular and Structural Motions in Defining Electrolyte Transport Open
Molecular motions of ionic and neutral electrolyte species determine transport properties at the continuum scale. These molecular motions can be classified as vehicular (e.g., cations moving with a solvation shell of neighboring solvent mo…
View article: The (annoyingly) slow pace of energy transition
The (annoyingly) slow pace of energy transition Open
View article: Sustainability concerns influence studies reported at the 2022 MRS Fall Meeting & Exhibit
Sustainability concerns influence studies reported at the 2022 MRS Fall Meeting & Exhibit Open
View article: Transference Number of Electrolytes from the Velocity of a Single Species Measured by Electrophoretic NMR
Transference Number of Electrolytes from the Velocity of a Single Species Measured by Electrophoretic NMR Open
Accurate measurement of the cation transference number is critical for designing batteries with a given electrolyte. A promising approach for measuring this parameter is electrophoretic NMR (eNMR). In the standard approach, the average cat…
View article: Elucidating the Molecular Origins of the Transference Number in Battery Electrolytes Using Computer Simulations
Elucidating the Molecular Origins of the Transference Number in Battery Electrolytes Using Computer Simulations Open
The rate at which rechargeable batteries can be charged and discharged is governed by the selective transport of the working ions through the electrolyte. Conductivity, the parameter commonly used to characterize ion transport in electroly…
View article: Characterizing Ion Transport in Electrolytes via Concentration and Velocity Profiles
Characterizing Ion Transport in Electrolytes via Concentration and Velocity Profiles Open
Current flowing through an electrolyte is accompanied by continuum motion of ions and solvent, species concentration profiles, and the electric field. While, historically, the understanding of electrolyte transport has predominantly relied…
View article: Quantifying selective solvent transport under an electric field in mixed-solvent electrolytes
Quantifying selective solvent transport under an electric field in mixed-solvent electrolytes Open
Limitations of using the single-solvent approximation to quantify transport in mixed-solvent electrolytes are highlighted. A rigorous simulation approach to quantify selective solvent transport is presented and validated by electrophoretic…
View article: Machine learning accelerates identification of lithiated phases in X-ray images of battery hosts
Machine learning accelerates identification of lithiated phases in X-ray images of battery hosts Open
Santos et al. (2022) propose a machine learning-based approach to identify various lithiated phases across lengthscales in X-ray images of battery particles, thus enabling automatic interpretation of such information in much bigger dataset…
View article: CONVOLUTIONAL NEURAL NETWORKS FOR PROBLEMS IN TRANSPORT PHENOMENA: A THEORETICAL MINIMUM
CONVOLUTIONAL NEURAL NETWORKS FOR PROBLEMS IN TRANSPORT PHENOMENA: A THEORETICAL MINIMUM Open
Convolutional neural network (CNN), a deep learning algorithm, has gained popularity in technological applications that rely on interpreting images (typically, an image is a 2D field of pixels). Transport phenomena is the science of studyi…
View article: Unconventional Charge Transport in MgCr<sub>2</sub>O<sub>4</sub> and Implications for Battery Intercalation Hosts
Unconventional Charge Transport in MgCr<sub>2</sub>O<sub>4</sub> and Implications for Battery Intercalation Hosts Open
Ion transport in solid-state cathode materials prescribes a fundamental limit to the rates batteries can operate; therefore, an accurate understanding of ion transport is a critical missing piece to enable new battery technologies, such as…
View article: Toward Bottom-Up Understanding of Transport in Concentrated Battery Electrolytes
Toward Bottom-Up Understanding of Transport in Concentrated Battery Electrolytes Open
Bottom-up understanding of transport describes how molecular changes alter species concentrations and electrolyte voltage drops in operating batteries. Such an understanding is essential to predictively design electrolytes for desired tran…
View article: Electric-Field-Induced Spatially Dynamic Heterogeneity of Solvent Motion and Cation Transference in Electrolytes
Electric-Field-Induced Spatially Dynamic Heterogeneity of Solvent Motion and Cation Transference in Electrolytes Open
While electric fields primarily result in migration of charged species in electrolytic solutions, the solutions are dynamically heterogeneous. Solvent molecules within the solvation shells of the cation will be dragged by the field while f…
View article: Asphericity Can Cause Nonuniform Lithium Intercalation in Battery Active Particles
Asphericity Can Cause Nonuniform Lithium Intercalation in Battery Active Particles Open
Uniform intercalation is desired to enable next-generation Li-ion batteries. While we expect nonuniformity in materials undergoing a phase change, single-phase intercalation materials such as nickel manganese cobalt oxide are believed to l…
View article: Effect of Solvent Motion on Ion Transport in Electrolytes
Effect of Solvent Motion on Ion Transport in Electrolytes Open
We use concentrated solution theory to derive an equation governing solvent velocity in a binary electrolyte when a current passes through it. This equation, in combination with the material balance equation, enables the prediction of elec…
View article: The Transference Number
The Transference Number Open
The performance of rechargeable batteries and other electrochemical systems depends on the rate at which the working ion (often a cation) is transported from one electrode to the other. The cation transference number is an important transp…
View article: MATBOX: An Open-source Microstructure Analysis Toolbox for microstructure generation, segmentation, characterization, visualization, correlation, and meshing
MATBOX: An Open-source Microstructure Analysis Toolbox for microstructure generation, segmentation, characterization, visualization, correlation, and meshing Open
View article: A Minimal Information Set To Enable Verifiable Theoretical Battery Research
A Minimal Information Set To Enable Verifiable Theoretical Battery Research Open
Batteries are an enabling technology for addressing sustainability through the electrification of various forms of transportation (1) and grid storage. (2) Batteries are truly multi-scale, multi-physics devices, and accordingly various the…
View article: Leveraging reactions and electrodeposition to fabricate photoanodes for oxygen production
Leveraging reactions and electrodeposition to fabricate photoanodes for oxygen production Open
View article: Quantifying Negative Effects of Carbon-Binder Networks from Electrochemical Performance of Porous Li-Ion Electrodes
Quantifying Negative Effects of Carbon-Binder Networks from Electrochemical Performance of Porous Li-Ion Electrodes Open
Porous Li-ion electrodes contain active particles, ion transporting electrolyte, and carbon-binder networks. While macrohomogeneous models are often used to predict electrode behavior, accurate predictions remain challenging, owing to the …
View article: Computational Design of Batteries from Materials to Systems
Computational Design of Batteries from Materials to Systems Open
Computer models are helping to accelerate the design and validation of next generation batteries and provide valuable insights not possible through experimental testing alone. Validated 3-D physics-based models exist for predicting electro…
View article: How Machine Learning Will Revolutionize Electrochemical Sciences
How Machine Learning Will Revolutionize Electrochemical Sciences Open
Electrochemical systems function via interconversion of electric charge and chemical species and represent promising technologies for our cleaner, more sustainable future. However, their development time is fundamentally limited by our abi…
View article: Free Radicals: Making a Case for Battery Modeling
Free Radicals: Making a Case for Battery Modeling Open
Mathematical modeling to understand battery performance has a history of more than 50 years. The essence of modeling is to make predictions, as is the case across all scientific disciplines; indeed, we can think of models as hypotheses or …
View article: Electrochemical high-speed AFM dynamically probes fast-charging battery materials
Electrochemical high-speed AFM dynamically probes fast-charging battery materials Open