Abstract: Disclosed herein is a framework for the modeling and design of materials based on differentiable programming, where the models can be trained by gradient-based optimization. Within this framework, all the components are differentiable and can be seamlessly integrated and unified with deep learning. The framework can design and optimize materials for a variety of applications.

Abstract: Disclosed herein is a system and method using an equivariant neural network for predicting quantum mechanical charge density. The equivariant neural network serves as a surrogate for the density-functional theory used to calculate a selfconsistent field and predicts the central observable charge density, which, in addition to enabling force calculations, can also accelerate DFT itself and compute a full range of chemical properties.

Abstract: Electrochemical devices, and associated materials and methods, are generally described. In some embodiments, an electrochemical device comprises an electroactive material. The electroactive material may comprise an alloy having a solid phase and a liquid phase that co-exist with each other. As a result, such a composite electrode may have, in some cases, the mechanical softness to permit both high energy densities and an improved current density as compared to, for example, a substantially pure metal electrode.

Abstract: Disclosed herein is a system and method implementing a battery avionics system for integrating battery monitoring, control, and management functions with an avionics system of an aircraft. The system uses a model implementing a battery pack digital twin, which is a continuous simulation of the operation of the battery pack within the aircraft, receives data regarding the battery pack generated by the digital twin model and provides optimized parameters to the battery avionics system. The system enables high precision, cell-level resolution control of the battery pack. The system estimates the state of charge, state of health, state of safety, and state of function of the cells and the battery pack as a whole and uses this information to manage the battery pack, given a particular flight profile of the aircraft.

Abstract: A method for the efficient management of a fleet of electric vehicles in a target area couples vehicle dynamics and battery dynamics modeling with environmental factors to accurately incorporate the impact that the environment has on the range of the battery into the placement of the chargers by simulating trips of fleets of electric vehicles. The vehicles can be of various types, for example, motorcycles, cars, trucks or aircraft, and will each have their battery state of charge monitored as they traverse a simulated trip through the target area.

Abstract: The present disclosure is generally related to separators for use in lithium metal batteries, and associated systems and products. Certain embodiments are related to separators that form or are repaired when an electrode is held at a voltage. In some embodiments, an electrochemical cell may comprise an electrolyte that comprises a precursor for the separator.

Abstract: Disclosed herein is a system and method for selecting a battery for a particular application, for example, batteries used in portable electronics, electric vehicles, satellites, etc. The method uses an end-to-end differentiable modeling approach that allows the selection of batteries directly from the parameters of the battery and a specification of the particular application for which the batteries are being selected.

Abstract: Electrochemical devices, and associated materials and methods, are generally described. In some embodiments, an electrochemical device comprises an electroactive material. The electroactive material may comprise an alloy having a solid phase and a liquid phase that co-exist with each other. As a result, such a composite electrode may have, in some cases, the mechanical softness to permit both high energy densities and an improved current density as compared to, for example, a substantially pure metal electrode.

Abstract: Disclosed herein are systems and methods for processing ash. For example, in certain embodiments, the method comprises dissolving at least a portion of ash in acid. In some embodiments, the acid is produced in a reactor. In some embodiments, dissolving at least a portion of ash in acid produces refined silica (SiO2) (e.g., amorphous silica, substantially pure silica, and/or a substantial amount of silica). According to certain embodiments, the ash can be further processed (e.g., using electro winning, pH-based precipitation, and/or electrorefining) to obtain other components instead of or in addition to refined silica.

Abstract: In some aspects, the present disclosure is directed to fluorinated electrodes that comprises layers of AFx, where A is a single-element material selected from B, Al, Si, and P or a multi-element material comprising two different elements selected from B, C, N, Al, Si, and P, where F is fluorine, where x is the degree to which A is fluorinated on an atom basis, and where x is between 0.5 to 20. In other aspects, the present disclosure is directed to batteries that contain such fluorinated electrodes and to methods of making such fluorinated electrodes.

Abstract: A method for the efficient placement of electric vehicle chargers in a target area couples vehicle dynamics and battery dynamics modeling with environmental factors to accurately incorporate the impact that the environment has on the range of the battery into the placement of the chargers by simulating trips of fleets of electric vehicles. The vehicles can be of various types, for example, motorcycles, cars, trucks or aircraft, and will each have their battery state of charge monitored as they traverse a simulated trip through the target area.

Abstract: A method for the efficient management of a fleet of electric vehicles in a target area couples vehicle dynamics and battery dynamics modeling with environmental factors to accurately incorporate the impact that the environment has on the range of the battery into the placement of the chargers by simulating trips of fleets of electric vehicles. The vehicles can be of various types, for example, motorcycles, cars, trucks or aircraft, and will each have their battery state of charge monitored as they traverse a simulated trip through the target area.

Abstract: Processes for producing a metal superhydride include obtaining a metal or metal alloy electrode comprising one or more metal atoms, obtaining an electrolyte comprising hydrogen atoms, the electrolyte configured to kinetically suppress a hydrogen evolution reaction in the metal electrode, disposing the metal electrode in the electrolyte, applying pressure to the metal electrode and the electrolyte while the metal electrode is disposed in the electrolyte, and forming, based on applying the pressure, a metal superhydride comprising a plurality of hydrogen atoms of the electrolyte being bonded to each of the one or more metal atoms of the metal electrode. Generally, the metal superhydride is stable at a pressure less than 100 gigapascal (GPa).

Abstract: The present disclosure is directed to a battery that comprise at least one electrochemical cell that comprises a cathode, an anode or an anode current collector and an electrolyte disposed between the cathode and the anode or the current collector, wherein (a) the anode comprises an isotopically enriched metal; (b) the cathode comprises isotopically enriched metal ions; (c) the electrolyte comprises an isotopically enriched metal salt; (d) a combination of (a) and (b); (e) a combination of (a) and (c); (f) a combination of (b) and (c); or (g) a combination of (a), (b) and (c).

Abstract: Apparatuses, systems, computer program products, and methods are disclosed for foundation model based fluid simulations. An apparatus includes a processor and a memory that stores code executable by the processor to receive a fluid foundation model that is pretrained on fluid data, deploy the received fluid foundation model into a downstream machine learning pipeline for a fluid dynamics application, reconfigure the fluid foundation model for the fluid dynamics application, and output results from the machine learning pipeline for the fluid dynamics application based on the reconfigured fluid foundation model.

Abstract: The invention comprises an anode-free lithium metal cell having an anode-side current collector composed of lithium, a lithium alloy or lithium-containing compound or a transition metal having a lithium or lithium alloy or lithium-containing compound surface coating, to provide a specific energy of the cell of 350 Wh/kg or greater.

Abstract: In some aspects, the present disclosure pertains to methods for the electrochemical production of calcium silicate compounds in an electrochemical cell that comprises (a) a Ca-based electrode that comprises calcium metal or an inorganic calcium material, (b) an SiOx-based electrode that comprises a SiOx material, where x ranges from 1 to 2, and (c) a liquid electrolyte disposed between the Ca-based electrode and the SiOx-based electrode. In these methods, the electrochemical cell is operated under conditions such that calcium cations are produced at the Ca-based electrode and one or more calcium silicate (Ca—Si-oxide) compounds are produced at the SiOx-based electrode. In other aspects, the present disclosure pertains to systems for the electrochemical production of calcium silicate compounds.

Abstract: In some aspects, the present disclosure pertains to methods for the electrochemical production of hydrogen in an electrochemical cell comprising an anode, a cathode and a liquid electrolyte comprising an ionic hydrogen carrier, wherein the electrochemical cell is operated under conditions such that hydrogen gas is produced from the ionic hydrogen carrier at the cathode and wherein nitrogen gas is produced from the ionic hydrogen carrier at the anode. Other aspects pertain to devices and systems for carrying out such methods.

Abstract: A method for the efficient placement of electric vehicle chargers in a target area couples vehicle dynamics and battery dynamics modeling with environmental factors to accurately incorporate the impact that the environment has on the range of the battery into the placement of the chargers by simulating trips of fleets of electric vehicles. The vehicles can be of various types, for example, motorcycles, cars, trucks or aircraft, and will each have their battery state of charge monitored as they traverse a simulated trip through the target area.

Abstract: The present invention is generally related to separators for use in lithium metal batteries, and associated systems and products. Certain embodiments are related to separators that form or are repaired when an electrode is held at a voltage. In some embodiments, an electrochemical cell may comprise an electrolyte that comprises a precursor for the separator.