HyMARC_LogoHyMARC will provide the fundamental understanding of phenomena governing thermodynamics and kinetics necessary to enable the development of on-board solid‐phase hydrogen storage materials

These resources will create an entirely new DOE/FCTO Capability that will enable accelerated materials development to achieve thermodynamics and kinetics required to meet DOE targets

Sandia National Laboratories chemist Mark Allendorf, shown here at Berkeley Lab’s Advanced Light Source facility, is leading the Hydrogen Materials – Advanced Research Consortium (HyMARC) to advance solid-state materials for onboard hydrogen storage.

Sandia National Laboratories chemist Mark Allendorf, shown here at Berkeley Lab’s Advanced Light Source facility, is leading the Hydrogen Materials – Advanced Research Consortium (HyMARC) to advance solid-state materials for onboard hydrogen storage.

The program is funded by the U.S. Department of Energy’s (DOE) Fuel Cell Technologies Office within the Office of Energy Efficiency and Renewable Energy at $3 million per year for three years, with the possibility of renewal. In addition to Sandia, the core team includes Lawrence Livermore and Lawrence Berkeley national laboratories.

The consortium addresses the gaps in solid-state hydrogen storage by leveraging recent advances in predictive multiscale modeling, high-resolution in situ characterization and material synthesis. Past efforts, which synthesized and characterized hundreds of materials for solid-state hydrogen storage, laid a solid foundation for current work including the understanding of the kinetics and thermodynamics governing the physical properties of these types of storage methods.

HyMARC goal: a set of ready-to-use resources

  • Multi-physics software, methods, and models optimized for high-throughput material screening using the large-scale parallel computing facilities of the three partners
  • Sustainable, extensible database framework for measured and computed material properties
  • Protocols for synthesizing storage materials in bulk and nanoscale formats
  • Ultra high-pressure synthesis and characterization facilities (700 bar and above)
  • In situ and ex situ spectroscopic, structural, and surface characterization methods, tailored for hydrogen storage and, where necessary, adapted for facile use of ALS soft x-ray probes

HyMARC will purposefully make consortium assets (people, software, and hardware) as accessible as possible, thereby maximizing the impact of FCTO investmets and providing a platform for leverages capabilities with other DOE offices.

Overview of capabilities and selected approaches

  • Quantum Monte Carlo for accurate sorbent energies
  • Phase-field modeling (PFM): solid-state phase transformation kinetics
  • Sobent suite for model testing and validation
  • Bulk and nanoscale metal hydrides synthesis and characterization
  • Modified graphene nanoribbons: functional catalysis
  • Hierarchical integrated hydride materials
  • Low-energy ion scattering for detecting hydrogen on surfaces
  • Ambient-pressure x-ray Photoelectron Spectroscopy (AP-XPS)
  • Soft x-ray spectroscopy and microscopy at the Advanced Light Source
  • Theory and modeling: computational spectroscopy and x-ray spectroscopy
  • Community tools, including databases
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Resources