Research Highlights

Full-Scale Ab Initio Theory for Dynamic Nuclear Polarization

This advanced theory enables the in silico design of better polarizing agents and DNP matrices. The structure of core-shell materials can now be determined by predicting the spatial distribution of DNP enhancements.

Selective hydrogenation of nitrate to ammonia in the absence of precious metal catalysts

Nitrate removal from water supplies is a thermodynamically difficult and expensive task. Removal by hydrogenation has relied on catalysts that include scarce precious metals, e.g., Pd. Thus, discovery of an effective alternative is essential.

Maximizing Hydrogen Efficiency in the Conversion of Biorenewables to Polymer Precursors

An advanced catalyst enables conversion of biomass derivatives into nylon precursors at low temperature and ambient hydrogen pressure. This advancement can lead to large energy savings, decreased environmental impact,
and lower cost reactors for processing biorenewables with improved safety.

Illustration of catalytic hydrodemethoxylation

Reshaping of Truncated Pd Nanocubes

Realistic Atomistic-Level and Coarse-Grained Modeling of Energy Landscapes and Kinetics

Development of permanent magnets using low cost mischmetal

CMI research at Ames Laboratory used high-throughput (HiTp) synthesis and rapid characterization to identify permanent magnet alloy compositions with decreased critical material content, and was accepted for publication in ACS Combinatorial Science.

High-throughput (HiTp) synthesis and rapid characterization was used to identify permanent magnet alloy compositions with decreased critical material content.

Functionalizing magnet additive manufacturing systems with in-situ magnetic field source

CMI technical publication on functionalizing permanent magnet additive manufacturing systems with a magnetic field source. The field source was modeled, designed, prototyped and tested on an existing table-top commercial 3D printer.

Depiction of the magnetic-field aligning permanent magnet-producing apparatus, side view.

Complex oscillatory decrease with size in the diffusivity of epitaxially-supported 3D metal nanoclusters

Theoretical analysis reveals a complex oscillatory decay in the diffusivity of {100}-epitaxially supported fcc metal nanoclusters (NCs) with increasing size. NCs have a 3D structure for weak adhesion to oxide or other supports.
Results contrast traditional assumptions of monotonic decay with increasing size.

Catalytic Carbon–Oxygen Bond Cleavage

The oxophilicity of lanthanide complexes is leveraged for catalytic C–O cleavage via hydroboration. The proposed mechanism indicates that the reactive La-H is protected and activated as borate adduct, yielding high catalytic rates and turnover numbers.

Al-Ce alloys designated by Aluminum Association

CMI developed alloys that have passed key commercial milestone, and have been accorded official designations by The Aluminum Association, opening the door to global industrial applications

Al-Ce alloy-based turbocharger compressor wheels from 6” to 0.3” produced by Additive Manufacturing using newly designated aluminum-cerium alloy.

Ce-based gap magnets match high-temperature performance of neo

CMI research at Ames Laboratory Achievement showed that at certain temperatures a cerium-based magnet matches the energy product of and exceeds the coercivity of neodymium permanent magnets