Publications

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A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior—low and converging or high and diverging. These general trends in behavior are shown to be largely explained using a simplified model based on grain size evolution, as a function of contact stress and temperature, and are demonstrated for self-mated pure copper and gold sliding contacts. Specifically, the low-friction regime (where µ < 0.5) is linked to the formation of ultra-nanocrystalline surface films (10–20 nm), driving toward shear accommodation by grain boundary sliding. Above a critical combination of stress and temperature—demonstrated to be a material property—shear accommodation transitions to dislocation dominated plasticity and high friction, with µ > 0.5. We utilize a combination of experimental and computational methods to develop and validate the proposed structure–property relationship. This quantitative framework provides a shift from phenomenological to mechanistic and predictive fundamental understanding of friction for crystalline materials, including engineering alloys.

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The friction behavior of ultra-nanocrystalline Ni-W coatings was investigated. A critical stress threshold was identified below which friction remained low, and above which a time-dependent evolution toward higher friction behavior occurred. Founded on established plasticity models we propose a correlation between surface grain size and applied stress that can be used to predict the critical stress separating the two friction regimes. This interpretation of plasticity models suggests that macro-scale low and high friction regimes are respectively associated with the nano-scale mechanisms of grain boundary and dislocation-mediated plasticity.

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The ability to integrate ceramics with other materials has been limited by the high temperature s (>800C) associated with ceramic processing. A novel process, known as aerosol deposition (AD), capable of preparing ceramic films at room temperature (RT) has been the subject of recent interest in the thermal spray and microelectronics communities. In this process, ceramic particles are accelerated using pressurized gas, impacted on a substrate and form a dense film under vacuum. This revolutionary process eliminates high temperature processing, enabling new coatings and microelectronic device integration as a back end of line process, in which ceramics can be deposited on metals, plastics, and glasses . Future impact s of this technology on Sandia's mission could include improved ceramic integration, miniaturized magnetic circulators in radar applications, new RF communication products, modification of commercial - off - the - shelf electronics, fabrication of conformal capacitors, thin batteries, glass - to - metal seals, and transparent electronics. Currently, optimization for RT solid - state deposition of ceramics is achieved empirically and fundamental mechanisms for ceramic particle - particle bonding are not well understood. Obtaining this knowledge will allow process - microstructure - property relation ship realization and will enable a differentiating ceramic integration capability. This LDRD leveraged Sandias existing equipment and capabilities in simulation, experimentation, and materials characterization to discover the fundamental mechanisms for ceramic particle deformation, particle - substrate bonding, and particle - particle bonding in RT consolidated films. RT deformation of individual Al₂O₃ particles was examined computationally and experimentally as a model system for understanding the complex dynamics associated with in vacuo RT deposition conditions associated with AD. Subsequently, particle - substrate bonding and particle - particle bonding in AD Al₂O₃ consolidated films were examined computationally and experimentally. Fundamental mechanisms behind the AD process were proposed.

Aerosol deposition (AD) is a solid-state deposition technology that has been developed to fabricate ceramic coatings nominally at room temperature. Sub-micron ceramic particles accelerated by pressurized gas impact, deform, and consolidate on substrates under vacuum. Ceramic particle consolidation in AD coatings is highly dependent on particle deformation and bonding; these behaviors are not well understood. In this work, atomistic simulations and in situ micro-compressions in the scanning electron microscope, and the transmission electron microscope (TEM) were utilized to investigate fundamental mechanisms responsible for plastic deformation/fracture of particles under applied compression. Results showed that highly defective micron-sized alumina particles, initially containing numerous dislocations or a grain boundary, exhibited no observable shape change before fracture/fragmentation. Simulations and experimental results indicated that particles containing a grain boundary only accommodate low strain energy per unit volume before crack nucleation and propagation. In contrast, nearly defect-free, sub-micron, single crystal alumina particles exhibited plastic deformation and fracture without fragmentation. Dislocation nucleation/motion, significant plastic deformation, and shape change were observed. Simulation and TEM in situ micro-compression results indicated that nearly defect-free particles accommodate high strain energy per unit volume associated with dislocation plasticity before fracture. The identified deformation mechanisms provide insight into feedstock design for AD.

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