Repository for phase-based data

Computational tools allow efficient evaluation of materials properties and behavior and are at the core of Integrated Computational Materials Engineering. All these tools rely on experimental data or results from calculations at lower length scales for the development of model parameters and/or verification of the results. Classical data collection from publications by retyping or digitizing is time consuming and leads to errors in the captured data. Depending on the task, data users may prefer evaluated data, which are usually communicated in publications, whereas others prefer raw data which are rarely communicated in publications. Appropriately designed data and file repositories can provide users with data that are best suited for their needs. In the fast developing world of information technology, these repositories must be flexible enough to accommodate evolving data needs while being selfconsistent in providing unique identifiers for materials and offer valuable information for a variety of applications. NIST is developing prototype repositories and data schemas with focus on data that are needed by the CALPHAD community. The materials property specifications and materials ontologies explored in this study and the current state of the repositories will be presented

Analyses and localization of pectin-like carbohydrates in cell wall and mucilage of the green alga Netrium digitus

The unicellular, simply shaped desmid Netrium digitus inhabiting acid bog ponds grows in two phases. Prior to division, the cell elongates at its central zone, whereas in a second phase, polar tip growth occurs. Electron microscopy demonstrates that Netrium is surrounded by a morphologically homogeneous cell wall, which lacks pores. Immunocytochemical and biochemical analyses give insight into physical wall properties and, thus, into adaptation to the extreme environment. The monoclonal antibodies JIM5 and JIM7 directed against pectic epitopes with different degrees of esterification label preferentially growing wall zones in Netrium. In contrast, 2F4 marks the cell wall only after experimental de-esterification. Electron energy loss spectroscopy reveals Ca-binding capacities of pectins and gives indirect evidence for the degree of their esterification. An antibody raised against Netrium mucilage is not only specific to mucilage but also recognizes wall components in transmission electron microscopy and dot blots. These results indicate a smooth transition between mucilage and the cell wall in Netrium

Predicting synthesizability.

Advances in renewable and sustainable energy technologies critically depend on our ability to design and realize materials with optimal properties. Materials discovery and design efforts ideally involve close coupling between materials prediction, synthesis and characterization. The increased use of computational tools, the generation of materials databases, and advances in experimental methods have substantially accelerated these activities. It is therefore an opportune time to consider future prospects for materials by design approaches. The purpose of this Roadmap is to present an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed. The various perspectives cover topics on computational techniques, validation, materials databases, materials informatics, high-throughput combinatorial methods, advanced characterization approaches, and materials design issues in thermoelectrics, photovoltaics, solid state lighting, catalysts, batteries, metal alloys, complex oxides and transparent conducting materials. It is our hope that this Roadmap will guide researchers and funding agencies in identifying new prospects for materials design

Implementation of an Effective Bond Energy Formalism in the Multicomponent Calphad Approach

International audienc