Abstract: An active learning machine learning interatomic potential (MLIP) training method. The method includes receiving one or more datasets associated with a material. The method further includes actively learning a dynamic trajectory in response to the one or more datasets associated with the material. The dynamic trajectory samples a first set of structures and progresses to a second set of structures to create an actively learned MLIP to predict one or more atomic values of the material. The MLIP training method may include biasing the sampling with, for instance, temperature and/or potential biasing.

Abstract: An iterative machine learning interatomic potential (MLIP) training method. The training method includes training a first multiplicity of first MLIP models in a first iteration of a training loop. The training method further includes training a second multiplicity of second MLIP models in a second iteration of the training loop in parallel with the first training step. The training method also includes combining the first MLIP models and the second MLIP models to create an iteratively trained MLIP configured to predict one or more values of a material. The MLIP may be a Gaussian Process (GP) based MLIP (e.g., FLARE). The MLIP may be a graph neural network (GNN) based MLIP (e.g., NequIP or Allegro).

Abstract: The present disclosure is directed to a tire particulate collection device for a motor vehicle. A tire particulate collection device is disclosed having at least a first chamber which includes a first grate and, a first collection compartment where tire particulate or other debris are collected. The device also comprises a last chamber having a collection plate. The last chamber also has a last collection compartment that allows entry of tire particulate matter into the last collection compartment. During vehicle operation, the tire particulate matter is accelerated through the device due to an applied electric field induced by providing an electrical charge to at least the first grate and collection plate. The tire particulate is then collected within the device.

Abstract: Systems and methods for monitoring the quality of water or leaks within a household plumbing system via machine learning are provided. Appliances can be connected to a plumbing system, wherein each appliance includes one or more sensors configured to output sensor data regarding a property of the water being utilized by that appliance. A processor is programmed to receive the sensor data and establish boundaries of normal operation. Then, when additional sensor data is received, the processor uses machine learning to classify that sensor data as being either within normal operation, or outside the bounds of normal operation. If the sensor data indicates the water property is outside the bounds, an output signal can be generated to inform the user.

Abstract: Systems and methods are disclosed for detecting a crack in an automotive windshield and alerting a user of the same. This can allow the user to repair the crack before the user might otherwise detect the crack by his/her own visual inspection. The windshield can be provided with emitters configured to emit signals (e.g., sound, light, etc.) and corresponding detectors configured to detect the emitted signals. Signal profiles or signatures can be stored that represent normal measurements when there is no crack. Upon detecting a signal signature that deviates from the stored normal signal signatures, the system can notify the user of a potential crack in the windshield. The system can also determine the location of the crack based upon which of the detectors detect a change in the detected signal.

Abstract: A direct air capture (DAC) system includes a porous sorbent structure for CO2 capture, the structure including nanopores sized 4-10 nm forming an interpenetrating network of channels for CO2 access to an interior volume of the sorbent, macropores for CO2 diffusion within the sorbent, and nanoparticles sized about 4-10 nm and located within the network of channels.

Abstract: An electrochemical cell includes first and second electrodes. The first electrode includes first catalyst particles enhancing activity in the electrochemical cell. The second electrode including second catalyst particles enhancing activity in the electrochemical cell. One or both of the first and second catalyst particles are at least partially encapsulated in a silica encapsulation formed from a precursor of a silicon-based copolymer. The silica encapsulation sustains the activity of the first and/or second catalyst particles.

Abstract: An electrolyzer system includes an input water source releasing a water stream with one or more metal ions into the electrolyzer system, an electrolyte membrane and catalyst-loaded catalyst layers downstream from the input water source, an additive source, located upstream from the electrolyte membrane and catalyst layers and downstream from the water source, with an additive including an acidic precipitating agent and being released into the water stream to chemically interact with the one or more metal ions present in the input water stream to form a neutral precipitate, and a controller programmed to add a predetermined amount of the additive to the water stream at predetermined intervals.

Abstract: A hydrogen electrochemical stack includes a plurality of hydrogen electrochemical cells, a common water input source upstream from the plurality of hydrogen electrochemical cells, the common water input source including a water stream with metal ions, and a deionizing additive source including a deionizing additive selectively binding the metal ions and non-binding to hydrogen ions.

Abstract: A hydrogen electrochemical system includes a cell including a membrane electrolyte and catalyst-loaded catalyst layers, an input water stream upstream from the cell, and a deionization device including a selectively binding complexing chelator non-binding to hydrogen ions, binding to non-hydrogen ions, and forming a complex with the non-hydrogen ions, the selectively binding complexing chelator enters the input water stream.

Abstract: A hydrogen electrochemical system includes a cell including a membrane electrolyte and catalyst-loaded catalyst layers and a deionization subsystem including a selectively binding chelator binding one or more metal ions, the selectively binding chelator having pKa value(s) at which its hydrogen(s) dissociate, the pKa value(s) being different from pH value(s) of the cell in operation, the deionization subsystem being located in a water recirculation loop of the cell.

Abstract: A hydrogen electrochemical system including an electrolyzer or fuel cell including a membrane electrolyte and catalyst-loaded catalyst layers, a deionization system including an additive binding to a metal ion in water present in the membrane electrolyte or fuel cell, and a sensor structured to monitor quantity of the metal ion, the sensor including an indicator compound bound to the additive.

Abstract: A computational method for predicting one or more adhesion characteristics of a candidate molecular coating. The computational method includes linking molecules of the candidate molecular coating to first anchor sites of a first substrate layer to obtain a first monolayer, arranging the first anchor sites in a two-dimensional (2D) lattice to obtain a close-packed first monolayer, spatially inverting the close-packed first monolayer to obtain a second monolayer associated with a second substrate layer, and predicting one or more adhesion characteristics of the candidate molecular coating for use in resisting stiction between the first and second substrate layers.

Abstract: A sensing device including film sensor, a second sensor, and a controller. The film sensor includes a receptor capturing an intended analyte and an unintended analyte in a fluid medium to generate a film sensor signal. The receptor has a receptor cross-sensitivity to the unintended analyte. The second sensor contacts the fluid medium including the intended analyte and the unintended analyte to generate a second sensor signal. The second sensor has a second cross-sensitivity to the unintended analyte different than the receptor cross-sensitivity to the unintended analyte. The controller is programmed to determine a concentration of the intended analyte in the fluid medium in response to the film sensor signal, the receptor cross-sensitivity, the second sensor signal, and the second cross-sensitivity.

Abstract: An alkaline electrochemical cell component includes a bulk portion and a surface portion including a conductive, electrochemically and chemically stable material having one or more compounds of formula (I): La(Ni1-xCux)O3 (I), where 0<=x<=1, the electrochemical cell having a pH>7.

Abstract: A gallium nitride (GaN) growth layer includes a first surface, a second surface, and a bulk region extending between the first and second surfaces, the bulk region having a polycrystalline material with coefficient of thermal expansion (CTE) of about 2-25 ppm/K above 800 K and one or more spinel compounds having formula (I):(ZnxCd1-x) (CryAl1-y)2O4 (I), where x and y are any number between 0 and 1, one of the first and second surfaces including a GaN epitaxial growth region.

Abstract: An electrochemical system includes a hydrogen diffusion barrier physically separating the system into a hydrogen rich zone and a hydrogen poor zone, an electronic component located in the hydrogen poor zone and exposed to hydrogen diffusing from the hydrogen rich zone, a hydrogen pump, located in the hydrogen rich zone and the hydrogen poor zone, including: a cathode, an anode, an electrolyte separating the cathode and the anode, an anode encapsulation contacting the anode and a portion of the electrolyte, and an external electrical circuit biased to drive H+ current from the anode to the cathode to pump hydrogen diffusing from the hydrogen rich zone into the hydrogen poor zone back into the hydrogen rich zone.

Abstract: A polymer electrolyte water electrolyzer (PEWE). The PEWE includes a cathode catalyst layer, an anode catalyst layer, and a polymer electrolyte membrane between and separating the anode catalyst layer and the cathode catalyst layer. The PEWE further includes a blocking layer disposed between the cathode catalyst layer and configured to resist unwanted diffusion of ions or molecules through the polymer electrolyte water electrolyzer.

Abstract: An electrochemical cell includes a plurality of components including a membrane electrode assembly including gas diffusion layers, catalyst layers, an exchange membrane, and bipolar plates, the cell being preset to have a target operational relative humidity (RH), and a humidity stabilization system located in or adjacent to at least one of the plurality of components, the system including a hygroscopic material having a critical relative humidity (CRH) value equal to or greater than the target operational RH of the cell.

Abstract: An electrochemical cell cathode catalyst layer includes electrocatalyst particles, an electrocatalyst support having an electronically conductive porous material including a plurality of pores with a diameter of less than or equal to 10 nm having a surface morphology comprising a plurality of peaks and valleys, the surface morphology being configured to contain the electrocatalyst particles within the plurality of pores and to enhance mass transport of molecular oxygen to the electrocatalyst particles by adsorbing molecular oxygen to the surface morphology, and an ionomer adhered to the electrocatalyst, the electrocatalyst support, or both.