A5029349732- Microstructure and mechanical properties
- Metal and Thin Film Mechanics
- Advanced Surface Polishing Techniques
- Fusion materials and technologies
- Advanced Materials Characterization Techniques
- Advanced materials and composites
- nanoparticles nucleation surface interactions
- Force Microscopy Techniques and Applications
- Metallurgy and Material Forming
- Nuclear Materials and Properties
- Hydrogen Storage and Materials
- Rare-earth and actinide compounds
- Powder Metallurgy Techniques and Materials
- Material Dynamics and Properties
- Intermetallics and Advanced Alloy Properties
- Advanced Thermoelectric Materials and Devices
- Business Process Modeling and Analysis
- High Temperature Alloys and Creep
- Advanced Numerical Analysis Techniques
- Topological Materials and Phenomena
- Quantum, superfluid, helium dynamics
- Robotic Mechanisms and Dynamics
- Ion-surface interactions and analysis
- Aluminum Alloy Microstructure Properties
- Nanowire Synthesis and Applications
Material Measurement Laboratory
2019
National Institute of Standards and Technology
2015-2018
Sandia National Laboratories California
2009-2014
University of Minnesota
2008-2011
Iowa State University
2007-2008
Abstract Robust nanostructures for future devices will depend increasingly on their reliability. While great strides have been achieved precisely evaluating electronic, magnetic, photonic, elasticity and strength properties, the same levels fracture resistance lacking. Additionally, one of self‐limiting features materials by computational design is knowledge that atomistic potential an appropriate one. A key property in establishing both these goals experimentally‐determined effective...
Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different produce results, thus making it necessary characterize based on how they predict basic properties. Doing so makes possible compare existing models in order select those best suited for specific use cases, identify any limitations of the may lead unrealistic responses. While methods obtaining many these...
Tetradymite-structured chalcogenides such as bismuth telluride (Bi2Te3) are of significant interest for thermoelectric energy conversion and topological insulators. Dislocations play a critical role during synthesis processing materials can strongly affect their functional properties. The dislocations between quintuple layers present special since core structure is controlled by the van der Waals interactions layers. In this work, using atomic-resolution electron microscopy, we resolve basal...
We present results from molecular dynamics simulations of two nano-crystalline tantalum thin films that illuminate the variety atomic-scale mechanisms incipient plasticity. Sample 1 contains approximately 500 K atoms and 3 grains, chosen to facilitate study at 105 s−1 strain rate; sample 2 has 4.6 M 30 grains. The samples are loaded in uniaxial tension deformation rates 105–109 s−1, display phenomena including emission perfect 1/2〈1 1〉-type dislocations formation migration twin boundaries....
New EAM potentials for the ternary palladium-silver-hydrogen system are developed by extending a previously palladium-hydrogen potential. The accurately capture heat of mixing and structural properties associated with solid solution alloys palladium-silver. Stable hydrides produced that smoothly transition across compositions. Additions silver to palladium predicted alter decreasing miscibility gap increasing likelihood hydrogen atoms occupying tetrahedral interstitial sites over octahedral sites.
In this work, we present an open access database for surface and vacancy-formation energies using classical force-fields (FFs). These quantities are essential in understanding diffusion behavior, nanoparticle formation catalytic activities. FFs often designed a specific application, hence, allows the user to understand whether FF is suitable investigating particular defect surface-related material properties. The results compared density functional theory experimental data whenever...
Palladium is an attractive material for hydrogen and hydrogen-isotope storage applications due to its properties of large density high diffusion lattice hydrogen. When considering tritium storage, the material’s structural mechanical integrity threatened by both embrittlement effect creation evolution additional crystal defects (e.g., dislocations, stacking faults) caused formation growth helium-3 bubbles. Using recently developed inter-atomic potentials palladium-silver-hydrogen system, we...
Compliant substrate technology offers an effective approach to grow high-quality multilayered films, of importance microelectronics and microelectromechanical systems devices. By using a thin, soft relieve the mismatch strain epitaxial film, critical thickness misfit dislocation formation in overlayer is effectively increased. Experiments have indicated that stiff films deposited onto Si substrates can delaminate at interface. However, atomic mechanisms deformation fracture not been well...