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At least 19 records

Advancing Scientific Productivity through Better Scientific Software: Developer Productivity and Software Sustainability Report

The Exascale Computing Project (ECP) provides a unique opportunity to advance computational science and engineering (CSE) through an accelerated growth phase in extreme-scale computing. Central to the project is the development of next-generation applications and software technologies that can exploit emerging architectures for optimal performance and provide high-fidelity, multiphysics, multiscale capabilities. However, disruptive changes in computer architectures and the complexities of tackling new frontiers in extreme-scale modeling, simulation, and analysis present daunting challenges to the productivity of software developers and the sustainability of software artifacts. Members of the CSE community - especially at extreme scales but more broadly at all scales of computing - face an urgent need to improve developer productivity, positively impacting product quality, development time, and staffing resources, and software sustainability, reducing the cost of maintaining, sustaining, and evolving software capabilities.

97 MATHEMATICS AND COMPUTING↗

Enhancing Developer Productivity - L2 Milestone (Final Report)

This report documents the work done as part of the “Enhancing Developer Productivity” level 2 milestone. The team surveyed developers about impediments and successes; improved our CI pipeline monitoring and reporting; developed tools for line coverage reporting and analysis; improved compiler warning adherence in SIERRA; prototyped static analysis, AI, and mutation testing tooling in SIERRA; and developed a 3-5 year SIERRA plan document to help these initiatives continue past this milestone.

97 MATHEMATICS AND COMPUTING↗

Data product development for cold cloud and precipitation process analysis/Snow regime classifications from the NSA snow product

This grant funded work focused first on developing a data product for cold-cloud precipitation and second, under a continuation, on examining distinct snowfall regimes occurring at the North Slope Alaska (NSA) facility. The overarching goal under the first phase was to provide a data product that quantifies the vertically- and temporally-resolved properties of cold, precipitating clouds and that will enable future analyses of the processes that control their formation and evolution. The data product derives from observations at the NSA Utqiagvik (BRW) and Oliktok Point (OLI) sites, its algorithm utilizing radar observations supplemented with in situ and other collocated remote sensing measurements to constrain an optimal estimation retrieval.

54 ENVIRONMENTAL SCIENCES↗

Waste is our Product. Developing, Implementing and Optimising Waste Management at Dounreay - 19039

The UK's Fast Breeder Reactor Research programme was centred at Dounreay, in the very north of Scotland, from 1955. Since 1994, the site has been focused on decommissioning, and represents one of the most complex, technically challenging and hazardous nuclear clean-up projects in Europe. Since 2012, Dounreay Site Restoration Ltd (DSRL) has been contracted by the NDA as the Site License Company to deliver the defined scope of work, under a Target Cost contract, to decommission the site to achieve the Interim End State by 2030-2033, whilst managing the transition of its people. All parties, including DSRL's Parent Body Organisation Cavendish Dounreay Partnership Ltd (a consortium of Cavendish Nuclear, AECOM, and Jacobs), recognise that there are significant technical and regulatory challenges to achieve this, as well as safely managing the transition for our workforce on what is effectively a 'closure' contract. The product of decommissioning is waste; over the course of the programme, a full range of higher activity and lower level radioactive wastes will be generated, and must be safely managed. This paper will address: - The Policy issues relating to radioactive waste management at Dounreay, including particular issues relating to implementation of Scottish policy, including how Waste Management is Optimised. - An overview of the decommissioning programme and the delivery of an Interim End State; - The type, range and nature of radioactive wastes requiring safe management at Dounreay; - Higher Activity Wastes (HAW): - Setting higher activity waste strategy; defining products and interim storage requirements; - Technical, regulatory and stakeholder issues for HAW strategy; - Lower Activity Wastes: - Setting Low Level Waste (LLW) strategy; defining a disposal product and development and status for Dounreay's LLW Disposal Vaults; - Implementing LLW strategy; - Technical, regulatory and stakeholder issues for LLW strategy; - Optimising Waste Management -Optimising waste from generation (from decommissioning workfaces) through to disposal -why, and how; - The Waste Informed Decommissioning model as a methodology and approach; - Impact and importance of Waste Management on a target cost contract; - Establishment of a Waste Optimisation Programme to drive ownership, delivery and culture change; - Management responsibilities and informing organisational design; - Sharing and learning from Best Practice; - The Challenge - how to ensure workforce and teams are engaged in delivering optimisation requirements; - Conclusions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Achieving Unprecedented CO 2 Utilization InCO 2 Concrete™: System Design, Product Development and Process Demonstration

Anthropogenic sources of carbon dioxide are generated from a number of sources, but the key among these are ordinary Portland cement (OPC) production and combustion of fossil fuels. Cement production is the largest global CO 2 source from the mineral decomposition of carbonates. This is due to the clinkering process whereby limestone (mainly consisting of CaCO 3 ) is decomposed into CaO and CO 2 , and combined with silica rich clays at high temperatures to form clinkers (i.e. the four key minerals that comprise cement). The high temperature range of 1400 – 1550°C required for this process accounts for up to 60% of the generated CO 2 from cement production. Combination of the limestone decomposition and thermal requirements of the clinkering process causes cement production to contribute 8-9% of annual global CO 2 emissions. Combustion of fossil fuels (coal, oil and gas) was shown to contribute a much larger portion of global CO 2 emissions. As of 2018, combustion of fossil fuels accounted for 65% of global CO 2 , where 41% was derived from stationary sources for electricity and heat generation and the other 24% was related to transport. To reduce these contributions, key steps forward in CO 2 utilization technologies are required. Therefore, a CO 2 mineralization technology (CO 2 mineralization concrete) to reduce the OPC content in concrete, while utilizing flue gas emissions from fossil fuel combustion has been developed to address both areas simultaneously. This Reversa™ technology utilizes low-carbon cementation agents produced by in situ CO 2 mineralization (“mineral carbonation reactions”) to offer a promising alternative to OPC. CO 2 mineralization relies upon the reaction of dissolved CO 2 with inorganic alkaline reactants to precipitate mineral carbonates (e.g., CaCO 3 ), which bind proximate particles and achieve cementation. Herein, a concrete green body, which is composed of a mixture of binder, water, and mineral aggregates, is exposed to CO 2 borne in industrial flue gas streams. This manner of CO 2 mineralization allows the production of construction components that feature equivalent engineering attributes as their OPC-based counterparts while featuring a much smaller embodied carbon intensity (eCI). The purpose of this project is to demonstrate the feasibility of the Reversa process evolving from a TRL-3 technology at the bench-scale up to TRL-6 technology at the pilot-scale. The reliability of the Reversa technology was tested to prove the effective production of three standard industrial concrete products selected during the course of the project. The results detailed herein will demonstrate the evolution of this technology to the industrial scale. The culmination of this work resulted in 9 production runs completed at the National Carbon Capture Center (NCCC), Wilsonville, AL, using natural gas (NG) flue gas as the CO 2 source. Over the course of the production runs at NCCC, the CO 2 utilization as a function of time, 24-h CO 2 uptake, electricity usage, and 28-d net area compressive strength recorded for each run. Collection of this data will be used to determine the success of the demonstration goals: (1) achieving in excess of 0.2gCO 2 /g reactant , (2) achieving greater than 50% reduction in global warming potential compared to standard produced units, and (3) ensuring compliance of carbonated concrete with industry standard specifications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of Programming Language-Aware Diffs for Improving Developer Productivity

As the number of supported platforms for SNL software increases, so do the testing requirements. This increases the total time spent between when a developer submits code for testing, and when tests are completed. This in turn leads developers to hold off submitting code for testing, meaning that when code is ready for testing there's a lot more of it. This increases the likelihood of merge conflicts which the developer must resolve by hand -- because someone else touched the files near the lines the developer touched. Current text-based diff tools often have trouble resolving conflicts in these cases. Work in Europe and Japan has demonstrated that, using programming language aware diff tools (e.g., using the abstract syntax tree (AST) a compiler might generate) can reduce the manual labor necessary to resolve merge conflicts. These techniques can detect code blocks which have moved, as opposed than current text-based diff tools, which only detect insertions / deletions of text blocks. In this study, we evaluate one such tool, GumTree, and see how effective it is as a replacement for traditional text-based diff approaches.

97 MATHEMATICS AND COMPUTING↗

Analysis and fermentation base-lining to validate cyanobacterial-based polysaccharide production as a viable feedstock for bio-product development (CRADA Final Report)

Researchers at Heliobiosys Inc. and the Advanced Biofuels Process Demonstration Unit at Lawrence Berkeley National Lab have successfully demonstrated recovery, saccharification, and fermentation of polysaccharides excreted by a cyanobacterial consortium. These polysaccharides do not require fresh water or arable land for production and have potential applications as fermentable sugar, as bio-based plastics, and as thickeners and gels. A scalable recovery process was developed: recovery via membrane separation and diafiltration. Characterization of the polysaccharides excreted by the cyanobacterial consortium reveals a mixture of 5 and 6-carbon sugars including significant fractions of glucose, xylose, arabinose, galactose, and mannose. Fermentation baselining with Rhodosporidium toruloides reveals performance indistinguishable from a pure glucose control condition. Protocols developed as part of this collaboration will now be employed for scale-up testing of the complete cultivation and recovery system in a further collaboration between Heliobiosys Inc., Lawrence Berkeley National Laboratory, and Sandia National Laboratory, with a focus on de-risking cultivation conditions, downstream applications, and overall process economics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Strategic styles of hardware product development could accelerate commercialization in cleantech startups

Hardware-based startups risk having longer times-to-market, deterring investment in the clean technologies that are critical to a sustainable future. We interviewed 55 leaders at hardware startups, 20 of which are cleantech, mapped their development timelines, and found prototyping to be the longest development step (median of 19 weeks per prototype) regardless of prototype complexity or iteration. Qualitative interview analysis reveals the prototyping team’s choice of development style is a major factor affecting timeline. We define two development styles: natural and structured, typified by free-form exploration and rule-based execution, respectively. On average, natural development takes 35% less time than structured, and is thus preferred for early iterations, but adopting structure at strategic points is needed for timely commercialization. Critical points of transition to a structured style include adding new team members or engaging external partners, which demand clear communication and expectations. When pivoting to a new product or market, returning to a natural style is beneficial.

Looney, Erin (ORCID:0000000168959312)↗

Monitoring, Verification, and Accounting (MVA) Strategy for a North Dakota Carbon Capture and Storage Project Integrated with Ethanol Production: Developing and Demonstrating Sustainable Monitoring Techniques

Conference presentation at American Association of Petroleum Geologists (AAPG) Carbon Capture, Utilization, and Storage (CCUS) Conference, Houston, Texas, March 28–30, 2022. An overview of the novel and sustainable monitoring techniques developed by the University of North Dakota's Energy & Environmental Research Center (EERC) and its commercial partners for the Red Trail Energy (RTE) carbon capture and storage (CCS) project.

01 COAL, LIGNITE, AND PEAT↗

Supercritical CO 2 Cycles for Power Production Development

Conference presentation at 42nd International Technical Conference on Clean Energy (Clearwater Clean Energy Conference), Clearwater, Florida, June 11–15, 2017. This presentation reviews the Allam Cycle principles and also the challenges and opportunities of producing power with the Allam Cycle using North Dakota lignite. Points of emphasis include corrosion analysis, efficient removal of impurities from the syngas, gasifier integration, and design considerations for a high-pressure oxy-fired syngas combustor.

01 COAL, LIGNITE, AND PEAT↗