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1,126 results on '"Grant, David M."'

7. Materials for hydrogen-based energy storage: Past, recent progress and future outlook

Author

Yartys, Volodymyr A., Baricco, Marcello, von Colbe, Jose Bellosta, Blanchard, Didier, Bowman Jr., Robert C., Broom, Darren P., Buckley, Craig E., Chang, Fei, Chen, Ping, Cho, Young Whan, Crivello, Jean-Claude, Cuevas, Fermin, David, William I. F., de Jongh, Petra E., Denys, Roman V., Dornheim, Martin, Felderhoff, Michael, Filinchuk, Yaroslav, Froudakis, George E., Grant, David M., Hauback, Bjørn C., Havela, Ladislav, He, Teng, Hirscher, Michael, Humphries, Terry D., Jensen, Torben R., Kim, Sangryun, Kojima, Yoshitsugu, Latroche, Michel, Li, Hai-Wen, Lototskyy, Mykhaylo V., Makepeace, Joshua W., Møller, Kasper T., Naheed, Lubna, Ngene, Peter, Noréus, Dag, Nygård, Magnus Moe, Orimo, Shin-ichi, Paskevicius, Mark, Pasquini, Luca, Ravnsbæk, Dorthe B., Sofianos, M. Veronica, Udovic, Terrence J., Vegge, Tejs, Walker, Gavin S., Webb, Colin J., Weidenthaler, Claudia, and Zlotea, Claudia

Subjects
Condensed Matter - Materials Science, Condensed Matter - Other Condensed Matter
Abstract

Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The Magnesium group of international experts contributing to IEA Task 32 Hydrogen Based Energy Storage recently published two review papers presenting the activities of the group focused on magnesium hydride based materials and on Mg based compounds for hydrogen and energy storage. This review article not only overviews the latest activities on both fundamental aspects of Mg-based hydrides and their applications, but also presents a historic overview on the topic and outlines projected future developments. Particular attention is paid to the theoretical and experimental studies of Mg-H system at extreme pressures, kinetics and thermodynamics of the systems based on MgH2,nanostructuring, new Mg-based compounds and novel composites, and catalysis in the Mg based H storage systems. Finally, thermal energy storage and upscaled H storage systems accommodating MgH2 are presented.

Published
2020
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31. Towards Pareto optimal high entropy hydrides via data-driven materials discovery.

Author

Witman, Matthew D., Ling, Sanliang, Wadge, Matthew, Bouzidi, Anis, Pineda-Romero, Nayely, Clulow, Rebecca, Ek, Gustav, Chames, Jeffery M., Allendorf, Emily J., Agarwal, Sapan, Allendorf, Mark D., Walker, Gavin S., Grant, David M., Sahlberg, Martin, Zlotea, Claudia, and Stavila, Vitalie

Abstract

The ability to rapidly screen material performance in the vast space of high entropy alloys is of critical importance to efficiently identify optimal hydride candidates for various use cases. Given the prohibitive complexity of first principles simulations and large-scale sampling required to rigorously predict hydrogen equilibrium in these systems, we turn to compositional machine learning models as the most feasible approach to screen on the order of tens of thousands of candidate equimolar high entropy alloys (HEAs). Critically, we show that machine learning models can predict hydride thermodynamics and capacities with reasonable accuracy (e.g. a mean absolute error in desorption enthalpy prediction of ∼5 kJ molH2−1) and that explainability analyses capture the competing trade-offs that arise from feature interdependence. We can therefore elucidate the multi-dimensional Pareto optimal set of materials, i.e., where two or more competing objective properties can't be simultaneously improved by another material. This provides rapid and efficient down-selection of the highest priority candidates for more time-consuming density functional theory investigations and experimental validation. Various targets were selected from the predicted Pareto front (with saturation capacities approaching two hydrogen per metal and desorption enthalpy less than 60 kJ molH2−1) and were experimentally synthesized, characterized, and tested amongst an international collaboration group to validate the proposed novel hydrides. Additional top-predicted candidates are suggested to the community for future synthesis efforts, and we conclude with an outlook on improving the current approach for the next generation of computational HEA hydride discovery efforts. [ABSTRACT FROM AUTHOR]

Published
2023
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36. Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response

Author

Wadge, Matthew D., primary, Bird, Matthew A., additional, Sankowski, Andrzej, additional, Constantin, Hannah, additional, Fay, Michael W., additional, Cooper, Timothy P., additional, O'Shea, James N., additional, Khlobystov, Andrei N., additional, Walsh, Darren A., additional, Johnson, Lee R., additional, Felfel, Reda M., additional, Ahmed, Ifty, additional, and Grant, David M., additional

Published
2022
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42. Hydride-based thermal energy storage

Author

Adams, Marcus, primary, Buckley, Craig E, additional, Busch, Markus, additional, Bunzel, Robin, additional, Felderhoff, Michael, additional, Heo, Tae Wook, additional, Humphries, Terry D, additional, Jensen, Torben R, additional, Klug, Julian, additional, Klug, Karl H, additional, Møller, Kasper T, additional, Paskevicius, Mark, additional, Peil, Stefan, additional, Peinecke, Kateryna, additional, Sheppard, Drew A, additional, Stuart, Alastair D, additional, Urbanczyk, Robert, additional, Wang, Fei, additional, Walker, Gavin S, additional, Wood, Brandon C, additional, Weiss, Danny, additional, and Grant, David M, additional

Published
2022
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44. Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response.

Author

Wadge, Matthew D., Bird, Matthew A., Sankowski, Andrzej, Constantin, Hannah, Fay, Michael W., Cooper, Timothy P., O'Shea, James N., Khlobystov, Andrei N., Walsh, Darren A., Johnson, Lee R., Felfel, Reda M., Ahmed, Ifty, and Grant, David M.

Subjects
DENDRITIC crystals, SURFACE stability, HEAT treatment, OXYGEN reduction, SURFACES (Technology)
Abstract

This study describes the chemical conversion and heat treatment of Ti6Al4V microspheres (Ti6_MS), and the resulting effects on their electrocatalytic properties. The wet‐chemical conversion (5.0 m NaOH, 60 °C, 24 h; Sample label: Ti6_TC) converts the top surface of the Ti6_MS powder into an ≈820 nm thick sodium titanate surface. Heat‐treatment (Ti6_TC_HT) at 450 °C increases the stability of the surface, through partial titanate crystallization, while mitigating excess rutile formation. All samples are analyzed chemically (XPS, EDX, Raman, EELS), structurally (XRD and TEM), and morphologically (SEM, TEM), demonstrating the characteristic formation of sodium titanate dendritic structures, with minimal chemical, structural, and morphological differences due to the 450 °C heat‐treatment. The effect of the preparation methodology on oxygen reduction reaction (ORR) electrocatalytic performance is also tested. The introduction of the sodium titanate layer changes the mechanism of the ORR, from a mixed 4 electron/2 electron pathway to a predominantly 2‐electron pathway. By maintaining the microspherical nature of the material while also tuning the surface of the material toward different reaction mechanisms, a design strategy for new electrocatalyst materials is explored. [ABSTRACT FROM AUTHOR]

Published
2023
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45. Rhetorical New Materialisms (RNM)

Author

Gries, Laurie, primary, Clary-Lemon, Jennifer, additional, Druschke, Caroline Gottschalk, additional, Rivers, Nathaniel, additional, Nicotra, Jodie, additional, Ackerman, John M., additional, Grant, David M., additional, Ríos, Gabriela R., additional, Hawk, Byron, additional, Hanan, Joshua S., additional, Arola, Kristin L., additional, Rickert, Thomas J., additional, Driskill, Qwo-Li, additional, and Sackey, Donnie Johnson, additional

Published
2022
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50. Long-Term Culture of Stem Cells on Phosphate-Based Glass Microspheres: Synergistic Role of Chemical Formulation and 3D Architecture

Author

Gupta, Dhanak, Hossain, Kazi M. Zakir, Roe, Martin, Smith, Emily F., Ahmed, Ifty, Sottile, Virginie, and Grant, David M.

Subjects
phosphate-based glass, mesenchymal stem cells, microspheres, porosity, osteogenic differentiation
Abstract

Phosphate-based glasses (PBGs) are biomaterials that degrade under physiological conditions and can be modified to release various ions depending on end applications. This study utilized slow-degrading (P45:45P2O5-16CaO-24MgO-11Na2O10 4Fe2O3, mol %) and comparatively faster degrading (P40:40P2O5-16CaO-24MgO-20Na2O, mol %) PBG microspheres with or without porosity, to evaluate the combined effect of chemical formulation and geometry on human mesenchymal stem cells (MSCs), a clinically relevant cell source for orthopedic applications. Scanning electron microscopy showed 2, 46, and 29% of P45 bulk (P45-B), P40 bulk (P40-B), and P40 porous (P40-P) microspheres, respectively, that had cracks or peeling off surfaces after 42 days of incubation in culture medium. Cytotoxicity assessment showed that glass debris released into the culture medium may interact with cells and affect their survival. Direct-contact cell experiments up to 42 days showed that P45-B microspheres did not sustain viable long-term cell cultures and did not facilitate extracellular matrix formation. On the other hand, P40-B microspheres enhanced alkaline phosphatase activity, calcium deposition, and collagen and osteocalcin production in MSCs. Introduction of porosity in P40 glass further enhanced these parameters and proliferation at later time points. The small pore windows (

Published
2021

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