Abstract: A computational method for determining a location and an amount of a transition metal M in surface facets of a Pt—M alloy using a density functional theory includes receiving a particle size and a surface facet distribution of the Pt—M alloy and a total concentration of M in the Pt—M alloy; calculating a total number of M atoms in the Pt—M alloy based on the particle size and the surface facet distribution of the Pt—M alloy and the total concentration of M in the Pt—M alloy; and predicting a mixing energy between Pt and at least one of the total number of M atoms in a subsurface layer of each of the surface facets of the Pt—M alloy when Pt is mixed with the at least one of the total number of M atoms.

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: An electrochemical cell catalyst support includes a fibrous catalyst support material. The fibrous catalyst support material includes a mixed metal oxide material of magnesium (Mg) and titanium (Ti) with a general formula of MgaTibO5-x, where 0?x?3, and a ratio of a to b is greater than 0.01 and less than 0.8.

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: 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 computational method for training a neural network force field (NNFF) configured to simulate molecular and/or atomic motion within a material system. The method includes the step of receiving molecular structure data of a molecule in the material system. The method also includes optimizing a geometry of the molecule using the molecular structure data and a density functional theory (DFT) simulation to obtain DFT optimized geometry data. The method further includes optimizing the geometry of the molecule using the molecular structure data and a classical force field (FF) simulation to obtain FF optimized geometry data. The method also includes outputting NNFF training data comprised of the DFT optimized geometry data and the FF optimized geometry data. The NNFF training data is configured to train an NNFF for simulating molecular and/or atomic molecular and/or atomic motion within the material system.

Abstract: A desalination battery cell includes a first compartment separated by an anion exchange membrane from a second compartment, each of the first and second compartments containing a saline water solution having a concentration of dissolved salts c1 and first and second intercalation host electrodes, respectively, in fluid communication with the solution, a voltage source supplying electric current to the first and second intercalation host electrodes to release cations into the solution, and a controller programmed to adjust an amount of the electric current being supplied to change direction of anions in the solution passing through the anion exchange membrane between the compartments such that the first and second compartments alternately collect and disperse salt from the solution and release desalinated water solution having a concentration c2 of dissolved salts and a brine solution having a concentration c3 of dissolved salts such that c3>C1>C2.

Abstract: An electrochemical cell component including a bulk portion and a surface portion comprising a chromium getter multi-elemental oxide material having a formula (I): AxByOz (I), where A is Ba, Ca, Cr, Mg, or Sr, B is Al, Bi, C, Co, Cr, Fe, Mn, Ni, Ti, Y, or Zn, x is a number selected from 1 to 8, y is a number selected from 1 to 64, and z is a number selected from 1 to 103, the multi-elemental oxide being configured to prevent chromium poisoning of the component.

Abstract: Fuel cell alloy bipolar plates. The alloys may be used as a coating or bulk material. The alloys and metallic glasses may be particularly suitable for proton-exchange membrane fuel cells because of they may exhibit reduced weights and/or better corrosion resistance. The alloys may include any of the following AlxCuyTiz, AlxFeyNiz, AlxMnyNiz, AlxNiyTiz, CuxFeyTiz, CuxNiyTiz, AlxFeySiz, AlxMnySiz, AlxNiySiz, NixSiyTiz, and CxFeySiz. The alloys or metallic glass may be doped with various dopants to improve glass forming ability, mechanical strength, ductility, electrical or thermal conductivities, hydrophobicity, and/or corrosion resistance.

Abstract: A fuel cell electrode protective layer forming method is disclosed. The method includes forming primary defects in a carbon-based protective layer material via a formation step. The primary defects are configured to transport fuel cell products and/or reactants representing a transported portion of a total fuel cell products and/or reactants. The difference between the total fuel cell products and/or reactants and the transported portion is an untransported portion. The method further includes activating secondary defects in the carbon-based protective layer material via an activation step. The secondary defects are configured to transport a portion of the untransported portion of the total fuel cell reactants and/or products. The activation step is different than the formation step.

Abstract: Fuel cell alloy bipolar plates. The alloys may be used as a coating or bulk material. The alloys and metallic glasses may be particularly suitable for proton-exchange membrane fuel cells because of they may exhibit reduced weights and/or better corrosion resistance. The alloys may include any of the following AlxCuyTiz, AlxFeyNiz, AlxMnyNiz, AlxNiyTiz, CuxFeyTiz, CuxNiyTiz, AlxFeySiz, AlxMnySiz, AlxNiySiz, NixSiyTiz, and CxFeySiz. The alloys or metallic glass may be doped with various dopants to improve glass forming ability, mechanical strength, ductility, electrical or thermal conductivities, hydrophobicity, and/or corrosion resistance.

Abstract: A fuel cell electrode protective layer forming method is disclosed. The method includes forming primary defects in a carbon-based protective layer material via a formation step. The primary defects are configured to transport fuel cell products and/or reactants representing a transported portion of a total fuel cell products and/or reactants. The difference between the total fuel cell products and/or reactants and the transported portion is an untransported portion. The method further includes activating secondary defects in the carbon-based protective layer material via an activation step. The secondary defects are configured to transport a portion of the untransported portion of the total fuel cell reactants and/or products. The activation step is different than the formation step.

Abstract: A fuel cell catalyst layer includes a catalyst support, a catalyst material, and a graphene-based material. The catalyst material includes catalyst particles in an atomic form at a beginning of operation or life of the fuel cell catalyst layer. The graphene-based material includes defects capturing dissolved particles ionized from the atomic form after the beginning of operation or life of the fuel cell catalyst layer.

Abstract: A fuel cell stack includes a first end region, a second end region, and a middle region. At least one of a first number of fuel cell units in the first end region is a first fuel cell unit including a membrane electrode assembly (MEA) with a first catalyst material on either or both an anode and a cathode of the first fuel cell unit. At least one of a second number of fuel cell units in the second end region is a second fuel cell unit including an MEA with a second catalyst material on either or both an anode and a cathode of the first fuel cell unit. The middle region is situated between the first and the second end region. At least one of a third number of fuel cell units in the middle region is a third fuel cell unit including an MEA with a third catalyst material on either or both an anode and a cathode of the first fuel cell unit. At least one of the first, the second, and the third catalyst material are different.

Abstract: A device for removing chloride-containing salts from water includes a container configured to contain saline water, a first electrode arranged in fluid communication with the saline water, and a power source. The first electrode includes a conversion material that is substantially insoluble in the saline water and has a composition that includes at least two or more of aluminum, chlorine, copper, iron, oxygen, and potassium. The composition varies over a range with respect to a quantity of chloride ions per formula unit. The power source supplies current to the first electrode in a first operating state so as to induce a reversible conversion reaction in which the conversion material bonds to the chloride ions in the saline water to generate a treated water solution. The conversion material dissociates the chloride ions therefrom into the saline water solution in a second operating state to generate a wastewater solution.

Abstract: A water softening device includes a container configured to contain water, first and second electrodes arranged in fluid communication with the water, and a power source. The first electrode includes a conversion material that has a first composition and a second composition coexisting with the first composition. The first composition includes calcium ions bonded thereto and the second composition includes sodium ions bonded thereto. The power source supplies current in a first operating state such that the second composition exchanges sodium ions for calcium ions in the water to generate a soft water solution. The first and second electrodes are connected in a second operating state such that the first composition exchanges calcium ions for sodium ions in the water to generate a wastewater solution. The conversion material undergoes a reversible conversion reaction to convert between the first and second compositions within the water stability window.

Abstract: A composite fuel cell polymer electrolyte membrane. The composite membrane includes a polymer electrolyte membrane base material including first and second inorganic particles. The first and second inorganic particles are interspersed within the polymer electrolyte membrane base material and each other. The first and second inorganic particles have first and second surface properties and the first surface property is different than the second surface property.

Abstract: A home appliance chemically resistant to peroxide degradation. The home appliance includes a metal substrate disposed therein that includes a metal substrate having a bulk portion and a coating layer contacting a surface of the bulk portion. The coating layer includes a ternary metal oxide compound, a metal alloy, an intermetallic compound, or a combination thereof. The ternary metal oxide compound, the metal alloy or the intermetallic compound is (a) unreactive with hydrogen peroxide or (b)(1) reactive with hydrogen peroxide to form one or more metal oxides unreactive with hydrogen peroxide or reactive with hydrogen peroxide to form one or more metal oxides unreactive with hydrogen peroxide and/or (b)(2) reactive with hydrogen peroxide to form one or more elemental metals reactive with hydrogen peroxide to form one or more metal oxides.

Abstract: An electrocatalyst includes a conglomerate of platinum atoms forming an amorphous nanoparticle structure having at least about 40% of highly undercoordinated surface atoms with fewer than 6 adjacent atoms on its surface; and a passivating crust including catalytically active monoatomic adsorbed oxygen atoms such that at least 50% of the amorphous nanoparticle structure has oxygen coverage, the amorphous nanoparticle structure having a diameter of up to 3 nm.

Abstract: A desalination battery includes a first electrode, a second electrode, an intercalation compound contained in the first electrode, a container configured to contain a saline water solution, and a power source. The intercalation compound includes at least one of a metal oxide, a metalloid oxide, a metal oxychloride, a metalloid oxychloride, and a hydrate thereof with each having a ternary or higher order. The first and second electrodes are configured to be arranged in fluid communication with the saline water solution. The power source is configured to supply electric current to the first and second electrodes in different operating states to induce a reversible intercalation reaction within the intercalation compound. The intercalation compound reversibly stores and releases target anions from the saline water solution to generate a fresh water solution in one operating state and a wastewater solution in another operating state.