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CMI Report on Project 2.3.2 Activities – 09/2013 to 03/2014

The objective of this project is to develop and apply a Materials-Design Simulator (MDS) for predicting thermodynamic phase stability, structural and magnetic properties, and performance of complex REE-based materials. We seek to create a knowledge base for identifying alloys with desirable properties. The aim of this project is to develop an efficient infrastructure for creating a knowledge base for identifying new alloys with enhance performance and reduced REE-content, and for managing material data acquired within the Focus Area 2 and with input from Focus Area 4. This project integrates two approaches to alloy process modeling that so far have been developed largely independently: (1) electronic structure theory of alloys and (2) semi-empirical methods of computational thermodynamics and kinetics (such as CALPHAD). This project will greatly benefit from experimental data on phase characterization, heat of formation (from differential scanning calorimetry), and magnetism as a function of pressure to support the search for REE substitutes without compromising on target properties for applications. The MDS will be also greatly enhanced through the use of state-of-the-art methods of materials informatics and data mining. The MDS will facilitate examination of research results, discovery of trends, identification of knowledge gaps, and even possibly underlying scientific principles, MDS will be developed and assembled for gathering, accessing, and analyzing available material data generated externally and within CMI projects by experimentalists and modelers. The data in our knowledge base will be accessible to all hub participants via a web interface and underlying engine that will allow targeted searches through heterogeneous data on composition, property and structure spaces encompassing all contributed data.

36 MATERIALS SCIENCE↗

Assessing the methane mitigation potential of innovative management in US rice production

Abstract Rice is an important global crop while also contributing significant anthropogenic methane (CH 4 ) emissions. To support the future of rice production, more information is needed on the impacts of sustainability-driven management used to grow rice with lower associated methane emissions. Recent support for the impacts of different growing practices in the US has prompted the application of a regional methodology (Tier 2) to estimate methane emissions in different rice growing regions. The methodology estimates rice methane emissions from the US Mid-South (MdS) and California (Cal) using region-specific scaling factors applied to a region-specific baseline flux. In our study, we leverage land cover data and soil clay content to estimate methane emissions using this approach, while also examining how changes in common production practices can affect overall emissions in the US. Our results indicated US rice cultivation produced between 0.32 and 0.45 Tg CH 4 annually, which were approximately 7% and 42% lower on average compared to Food and Agriculture Organization of the UN (FAO) and US Environmental Protection Agency (EPA) inventories, respectively. Our estimates were 63% greater on average compared to similar methods that lack regional context. Introducing aeration events into irrigation resulted in the greatest methane reductions across both regions. When accounting for differences between baseline and reduction scenarios, the US MdS typically had higher mitigation potential compared to Cal. The differences in cumulative mitigation potential across the 2008–2020 period were likely driven by lower production area clay content for the US MdS compared to Cal. The added spatial representation in the Tier 2 approach is useful in surveying how impactful methane-reducing practices might be within and across regions.

Environmental Sciences & Ecology↗

Activities ONDRAF/NIRAS related to the decommissioning of nuclear facilities

Since 1980, the Agency is responsible by law for the safe management of all radioactive waste produced in Belgium, including decommissioning wastes. By the law of 11 January 1991 and the implementing Royal Decree of 16/10/1991, ONDRAF/NIRAS has been entrusted with a mission concerning the decommissioning of nuclear facilities. This mission involves the collection and assessment of data concerning decommissioning forecasts for nuclear facilities, the approval of facilities' decommissioning programmes, the establishment - in consultation with operators - of financing conditions for decommissioning, as well as the implementation of these programmes on request by the operator, or in the case of its failure to do so. This is the case for the company Best Medical Belgium SA located at Fleurus (MDS Nordion SA, till April 2011), which produced radioisotopes for medical applications and went bankrupt in 2012. These installations have been entrusted to ONDRAF/NIRAS. A plan of action was developed for taking over the operations in the framework of remediation and decommissioning. Steps have been taken to integrate his new role as a nuclear operator. The installations of Best Medical Belgium SA are now referred to as the 'O/N - Site Fleurus.' Nuclear facility operators, or any person requesting to operate a nuclear facility, are obliged to provide ONDRAF/NIRAS, under their responsibility and in due time, with all the necessary information concerning these facilities' decommissioning forecasts, the nature, quantities and dates of transfer of the resulting waste, and the financing conditions for these facilities' decommissioning. In order to make the necessary funds available for decommissioning a nuclear facility when it will be shut down, operators are obliged to establish provisions during the facility's active life. These provisions are calculated in such a way that the total amount established at the time of the final shutdown covers all costs resulting from the facility's final phase, namely the preparation of decommissioning, decontamination, more or less long-term maintenance, dismantling, treatment, conditioning and disposal of waste produced during this phase. In order to face to multiple and repeated evaluation processes, the Agency, already in the early 90's, started with the implementation of its own integrated data processing system, recording the physical and radiological inventories of nuclear facilities, and allowing the evaluation of the quantities of decommissioning materials and wastes as well as of the decommissioning costs of these facilities. The cost evaluations cover all decommissioning activities from final shutdown of the facility until final release from nuclear control, as well as conventional demolition and site restoration if required. Beside the information related to the inventories, the database involves so called auxiliary tables integrating unit prices of the various decontamination and dismantling techniques, unit rates for radioactive waste processing, interim storage and final disposal. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MDSplus yesterday, today and tomorrow

MDSplus is a data acquisition and analysis system used worldwide predominantly in the fusion research community. Development began 31 years ago by a collaboration of software developers who were charged with providing a data acquisition system for three new fusion experiments under construction: CMOD at MIT, ZTH at LANL and RFX at Padova, Italy. The design of MDSplus combined the functionality of MDS (MIT/Model Data System developed at MIT for the Alcator and Tara fusion experiments) with new features suggested by the developers from the other laboratories. The development of MDSplus used a RAD (rapid application development) approach before RAD became a mainstream methodology. MDSplus was implemented and ready for the initial operation of CMOD in 1991. Since that time, many other fusion facilities started using MDSplus for data acquisition and/or for exporting their data to other sites. Today MDSplus is still used around the world for fusion energy research, space exploration and other fields of science and technology. Work on MDSplus continues to enhance its capabilities, support more platforms, and improve its reliability. It is anticipated that MDSplus will continue to provide valuable tools for the fusion energy research community. In conclusion, this paper describes some of the history of the MDSplus software, the work that is currently underway, and the plans to enable MDSplus to continue to be available and supported long into the future.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗