<p class="MsoNormal">To discover a new material, combinatorial synthesis recently becomes a powerful tool which enables us to fabricate various atomic elements deposited with sputtering, where atomic composition ratio is graded in-plane at one sample. Therefore, combinatorial film may be useful for materials screening to discover a new material, since one sample possess composition gradients, which plays a big role of materials library. For such a film, high-throughput characterization is demanded, especially elastoplastic property is required to realize a discovered material for the structural integrity. This study employed indentation test for combinatorial thin films. We first conducted indentation mapping onto the film to evaluate a mapping of deformability. For quantitative evaluation, stress and strain curve is obtained by using reverse analysis based on indentation curve and finite element method (FEM). This method readily provides elastoplastic property from indentation curve. The method was newly developed based on our previous studies which were already published elsewhere. Next, this study newly developed a mapping system for indentation test using automatic X-Y in-plane stage. The result suggested that elastoplastic property is strongly depended on the indentation position and we identify the strongest material in various atomic element ratio. To elucidate the mechanism of elastoplastic property, molecular dynamics (MD) simulation is conducted. This study created several models with different atomic element ratio, which is similar with experimental combinatorial film. Here, we employed XRD method to identify crystalline structure of combinatorial film, and this is included in MD simulation model. From this MD simulation, the mechanism of elastoplastic property (deformation behavior) is elucidated. Therefore, the created computational model enable data-driven materials discoveries and support efficient optimization of newly identified materials, using combinatorial processing. Furthermore, these datasets are the basis for multifunctional existence diagrams, comprising correlations between composition, materials processing, structure and properties, which can be used for the design of future materials. (Reference) Akio Yonezu, Hirotaka Akimoto, Shoichi Fujisawa, Xi Chen, Spherical indentation method for measuring local mechanical properties of welded stainless steel at high temperature, Materials &amp; Design, Vol.52 (2013) pp.812–820, Akio Yonezu, and Xi Chen. Evaluation of elastoplastic properties and fracture strength of thick diamond like carbon film by indentation. Diamond and related materials 19.1 (2010): 40-49. Yonezu, Akio, Keishi Yoneda, Hiroyuki Hirakata, Masayuki Sakihara, and Kohji Minoshima. "A simple method to evaluate anisotropic plastic properties based on dimensionless function of single spherical indentation–Application to SiC whisker-reinforced aluminum alloy." Materials Science and Engineering: A 527, no. 29-30 (2010): 7646-7657.</p>

High-Throughput Materials Characterization Using Indentation Mapping and Combinatorial Synthesis: Molecular Dynamics With Neural-Network Potentials

Paper Proceedings: https://asmedigitalcollection.asme.org/IMECE/IMECE2021/volume/85543

ASME 2021 International Mechanical Engineering Congress and Exposition (IMECE2021)

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