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At least 127 records · Page 7

Preablation electron and lattice dynamics on the silicon surface excited by a femtosecond laser pulse

The study of the time-resolved optical reflection from the silicon surface excited by single femtosecond laser pulses below and near the melting threshold reveals fast (less than 10 ps) Auger recombination of a photogenerated electron–hole plasma with simultaneous energy transfer to the lattice. The acoustic relaxation of the excited surface layer indicates (according to reported data) a characteristic depth of 150 nm of the introduction of the laser radiation energy, which is related to direct linear laser radiation absorption in the photoexcited material due to a decrease in the energy bandgap. The surface temperature, which is probed at a time delay of about 100 ps from the reflection thermomodulation of probe radiation and the integrated continuous thermal emission from the surface, increases with the laser fluence and, thus, favors a nonlinear increase in the fluorescence of sublimated silicon atoms. The surface temperature estimated near the picosecond melting threshold demonstrates a substantial (20%) overheating of the material with respect to the equilibrium melting temperature. Above the melting threshold, the delay of formation of the material melt decreases rapidly (from several tens of picoseconds to several fractions of a picosecond) when the laser fluence and, correspondingly, the surface temperature increase. In the times of acoustic relaxation of the absorbing layer and even later, the time modulation of the optical reflectivity of the material demonstrates acoustic reverberations with an increasing period, which are related to the formation of melt nuclei in the material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Example CIVET recipes

Example recipes and scripts for use with CIVET (Continuous Integration, Verification, Enhancement, and Testing).

Source record↗

Productivity frameworks for HPC

Productivity Frameworks for HPC will include container recipes, build recipes, continuous integration scripts, and other software aimed at testing the portability of containerized HPC software across platforms and interconnects. In particular, it tests the utility of bind-mounting at the MPI layer (rather than the underlying fabric layer) to leverage a standardized protocol and avoid various technical debt and vendor lock-in. Since MPIs are often ABI-incompatible, trampolines such as the open-source Wi4MPI will be tested when such cases arise.

Hanford, Nathan↗

AmpSuite

Seismic amplitudes offer vital information about explosion source characteristics, including discrimination and yield estimation. To take advantage of this, we developed an interactive Python package to measure, control data quality, generate broad area propagation models and perform discrimination and estimate yield. Propagation models are essential in support of transportable yield and broad area discrimination. The key benefit of this package will be its ability to continuously integrate data and new techniques. The AmpSuite framework will provide standardized, repeatable, and accurate model generation and characterization routines. The capability is crucial for monitoring agencies tasked with rapid and high-quality seismic event characterization. The AmpSuite software includes a series of independent modules to perform: • Direct Phase Amplitude Measurement and Storage • Coda Envelope Measurement and Storage • Data Quality Control • New Propagation Model Developments • Seismic Discrimination and Analysis • Yield Estimation and supporting utility software. The AmpSuite software provides comprehensive solutions for monitoring agencies seeking to optimize model generation and event analysis within a contemporary Python framework. Stakeholders (AFTAC) have begun to move towards the Python language for scientific analysis as a new workforce emerges.

Alfaro, Richard↗

kessel

Kessel is a tool to create and drive continuous integration (CI) and developer workflows through a unified interface across multiple code projects and environments. It serves as a driver and integration layer for build systems and package managers, providing a flexible library of reusable components to build and execute complex workflows consistently.

Berger, Richard [@lanl]↗

ROBOT: A Tool for Automating Ontology Workflows

BACKGROUND:Ontologies are invaluable in the life sciences, but building and maintaining ontologies often requires a challenging number of distinct tasks such as running automated reasoners and quality control checks, extracting dependencies and application-specific subsets, generating standard reports, and generating release files in multiple formats. Similar to more general software development, automation is the key to executing and managing these tasks effectively and to releasing more robust products in standard forms. For ontologies using the Web Ontology Language (OWL), the OWL API Java library is the foundation for a range of software tools, including the Protégé ontology editor. In the Open Biological and Biomedical Ontologies (OBO) community, we recognized the need to package a wide range of low-level OWL API functionality into a library of common higher-level operations and to make those operations available as a command-line tool. RESULTS:ROBOT (a recursive acronym for "ROBOT is an OBO Tool") is an open source library and command-line tool for automating ontology development tasks. The library can be called from any programming language that runs on the Java Virtual Machine (JVM). Most usage is through the command-line tool, which runs on macOS, Linux, and Windows. ROBOT provides ontology processing commands for a variety of tasks, including commands for converting formats, running a reasoner, creating import modules, running reports, and various other tasks. These commands can be combined into larger workflows using a separate task execution system such as GNU Make, and workflows can be automatically executed within continuous integration systems. CONCLUSIONS:ROBOT supports automation of a wide range of ontology development tasks, focusing on OBO conventions. It packages common high-level ontology development functionality into a convenient library, and makes it easy to configure, combine, and execute individual tasks in comprehensive, automated workflows. This helps ontology developers to efficiently create, maintain, and release high-quality ontologies, so that they can spend more time focusing on development tasks. It also helps guarantee that released ontologies are free of certain types of logical errors and conform to standard quality control checks, increasing the overall robustness and efficiency of the ontology development lifecycle.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Construction and accessibility of a cross-species phenotype ontology along with gene annotations for biomedical research [v2; ref status: indexed, http://f1000r.es/2td]

Phenotype analyses, e.g. investigating metabolic processes, tissue formation, or organism behavior, are an important element of most biological and medical research activities. Biomedical researchers are making increased use of ontological standards and methods to capture the results of such analyses, with one focus being the comparison and analysis of phenotype information between species. We have generated a cross-species phenotype ontology for human, mouse and zebrafish that contains classes from the Human Phenotype Ontology, Mammalian Phenotype Ontology, and generated classes for zebrafish phenotypes. We also provide up-to-date annotation data connecting human genes to phenotype classes from the generated ontology. We have included the data generation pipeline into our continuous integration system ensuring stable and up-to-date releases. This article describes the data generation process and is intended to help interested researchers access both the phenotype annotation data and the associated cross-species phenotype ontology. The resource described here can be used in sophisticated semantic similarity and gene set enrichment analyses for phenotype data across species. The stable releases of this resource can be obtained from http://purl.obolibrary.org/obo/hp/uberpheno/ .

59 BASIC BIOLOGICAL SCIENCES↗

FUSION NUCLEAR SCIENCE FACILITY (FNSF) BEFORE UPGRADE TO COMPONENT TEST FACILITY (CTF)

The compact (R0~1.2-1.3m) Fusion Nuclear Science Facility (FNSF) is aimed at providing a fully integrated, continuously driven fusion nuclear environment of copious fusion neutrons. This facility would be used to test, discover, and understand the complex challenges of fusion plasma material interactions, nuclear material interactions, tritium fuel management, and power extraction. Such a facility properly designed would provide, initially at the JET-level plasma pressure (~30%T2) and conditions (e.g., Hot-Ion H-Mode, Q<1)), an outboard fusion neutron flux of 0.25 MW/m2 while requiring a fusion power of ~19 MW. If and when this research is successful, its performance can be extended to 1 MW/m2 and ~76 MW by reaching for twice the JET plasma pressure and Q. High-safety factor q and moderate-plasmas are used to minimize or eliminate plasma-induced disruptions, to deliver reliably a neutron fluence of 1 MW-yr/m2 and a duty factor of 10% presently anticipated for the FNS research. Success of this research will depend on achieving time-efficient installation and replacement of all internal components using remote handling (RH). This in turn requires modular designs for the internal components, including the single-turn toroidal field coil center-post. These device goals would further dictate placement of support structures and vacuum weld seals behind the internal and shielding components. If these goals could be achieved, the FNSF would further provide a ready upgrade path to the Component Test Facility (CTF), which would aim to test, for 6 MW-yr/m2 and 30% duty cycle, the demanding fusion nuclear engineering and technologies for DEMO. This FNSF-CTF would thereby complement the ITER Program, and support and help mitigate the risks of an aggressive world fusion DEMO R&D Program. The key physics and technology research needed in the next decade to manage the potential risks of this FNSF are identified.

Peng, Yueng Kay Martin↗

The past, present, and future of nuclear fuel

Abstract New reactor concepts have motivated study of a variety of nuclear fuel types. Most nuclear fuels have their origins dating back to the very beginnings of nuclear materials. We survey the most prevalent types of nuclear fuels and their properties and give some historical context as to their development. We end with our perspective on what the next 50 years of nuclear fuel research might lead to. In our opinion, while optimized microstructures and chemistries are certainly on the horizon, the biggest developments will be the continued integration of modeling and simulation with experiments to extract the greatest amount of energy possible from existing fuel candidates in a safe and economical way. Graphical abstract

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

ORNL Annual Sustainability Report

As described in this report, we have made substantial progress across the 25 roadmaps of the Sustainable Campus Initiative. The report also outlines our plans to continue integrating sustainable practices into the planning, execution, and evaluation of all ORNL activities. We appreciate your interest in our journey to sustainability, and we welcome your comments, questions, and suggestions.

99 GENERAL AND MISCELLANEOUS↗

SIGMA Release v1.2 - Capabilities, Enhancements and Fixes

In this report, we present details on SIGMA toolkit along with its component structure, capabilities, and feature additions in FY15, release cycles, and continuous integration process. These software processes along with updated documentation are imperative to successfully integrate and utilize in several applications including the SHARP coupled analysis toolkit for reactor core systems funded under the NEAMS DOE-NE program.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development of a Novel Gas Pressurized Stripping Process-Based Technology for CO₂ Capture from Post-Combustion Flue Gases

A novel Gas Pressurized Stripping (GPS) post-combustion carbon capture (PCC) process has been developed by Carbon Capture Scientific, LLC, CONSOL Energy Inc., Nexant Inc., and Western Kentucky University in this bench-scale project. The GPS-based process presents a unique approach that uses a gas pressurized technology for CO₂ stripping at an elevated pressure to overcome the energy use and other disadvantages associated with the benchmark monoethanolamine (MEA) process. The project was aimed at performing laboratory- and bench-scale experiments to prove its technical feasibility and generate process engineering and scale-up data, and conducting a techno-economic analysis (TEA) to demonstrate its energy use and cost competitiveness over the MEA process. To meet project goals and objectives, a combination of experimental work, process simulation, and technical and economic analysis studies were applied. The project conducted individual unit lab-scale tests for major process components, including a first absorption column, a GPS column, a second absorption column, and a flasher. Computer simulations were carried out to study the GPS column behavior under different operating conditions, to optimize the column design and operation, and to optimize the GPS process for an existing and a new power plant. The vapor-liquid equilibrium data under high loading and high temperature for the selected amines were also measured. The thermal and oxidative stability of the selected solvents were also tested experimentally and presented. A bench-scale column-based unit capable of achieving at least 90% CO₂ capture from a nominal 500 SLPM coal-derived flue gas slipstream was designed and built. This integrated, continuous, skid-mounted GPS system was tested using real flue gas from a coal-fired boiler at the National Carbon Capture Center (NCCC). The technical challenges of the GPS technology in stability, corrosion, and foaming of selected solvents, and environmental, health and safety risks have been addressed through experimental tests, consultation with vendors and engineering analysis. Multiple rounds of TEA were performed to improve the GPS-based PCC process design and operation, and to compare the energy use and cost performance of a nominal 550-MWe supercritical pulverized coal (PC) plant among the DOE/NETL report Case 11 (the PC plant without CO₂ capture), the DOE/NETL report Case 12 (the PC plant with benchmark MEA-based PCC), and the PC plant using GPS-based PCC. The results reveal that the net power produced in the PC plant with GPS-based PCC is 647 MWe, greater than that of the Case 12 (550 MWe). The 20-year LCOE for the PC plant with GPS-based PCC is 97.4 mills/kWh, or 152% of that of the Case 11, which is also 23% less than that of the Case 12. These results demonstrate that the GPS-based PCC process is energy-efficient and cost-effective compared with the benchmark MEA process.

Chen, Shiaoguo↗

Who watches the watchers?: preventing fault in a fault tolerance library

The Scalable Checkpoint/Restart library (SCR) was developed and is used by researchers at Lawrence Livermore National Laboratory to provide a fast and efficient method of saving and recovering large applications during runtime on high-performance computing (HPC) systems. Though SCR protects other programs, up until June 2017, nothing was actively protecting SCR. The goal of this project was to automate the building and testing of this library on the varying HPC architectures on which it is used. Our methods centered around the use of a continuous integration tool called Bamboo that allowed for automation agents to be installed on the HPC systems themselves. These agents provided a way for us to establish a new and unique way to automate and customize the allocation of resources and running of tests with CMake’s unit testing framework, CTest, as well as integration testing scripts though an HPC package manager called Spack. These methods provided a parallel environment in which to test the more complex features of SCR. As a result, SCR is now automatically built and tested on several HPC architectures any time changes are made by developers to the library’s source code. The results of these tests are then communicated back to the developers for immediate feedback, allowing them to fix functionality of SCR that may have broken. Hours of developers’ time are now being saved from the tedious process of manually testing and debugging, which saves money and allows the SCR project team to focus their efforts towards development. Thus, HPC system users can use SCR in conjunction with their own applications to efficiently and effectively checkpoint and restart as needed with the assurance that SCR itself is functioning properly.

97 MATHEMATICS AND COMPUTING↗

Program Management Plan EnCore ® Accident Tolerant Fuel (ATF) Program

This Program Management Plan (PMP) is developed to support Westinghouse’s vision of developing and commercializing the Accident Tolerant Fuel. The near term goal of this Program is to deliver 2 fuel assemblies that consists of LTRs for Exelon Byron Unit 2 in spring of 2019. The longer term goal of this program is deployment of LTAs in 2022 of a mixture of coated zirconium cladding and SiC cladding with ADOPT and U3Si2 fuels. This is a high complexity program and is one of the largest research and development programs in Westinghouse and as such, the project scope is expected to change continuously. Integrated change control will be invoked as necessary. The Program consists of multiple funding streams (internal through Westinghouse innovation funding), external (through the DOE). The DOE funding consists of two phases: 1. Phase 2 – funded by DOE award number DE-NE0008222. 2. Phase 2B – funded by DOE – Westinghouse proposal reference # LTR-AMER-MKG-18-826, Rev. 1, August 23, 2018 (10/18 to 2/21), Award No. DE-NE0008824. 3. Cost share contributions from Westinghouse and program partners.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Roll-to-Roll SOFC Manufacturing for Low Cost Energy Generation

Oak Ridge National Laboratory (ORNL) and Redox Power Systems, LLC. collaborated on this project to develop an integrated, continuous roll-to-toll (R2R) manufacturing processes to produce solid oxide fuel cells (SOFCs). SOFCs are ceramic-based electrochemical devices that efficiently produce electricity from hydrogen-containing fuels, including natural gas. Standard processes for manufacturing SOFCs include tape casting of the anode and electrolyte, followed by stacking of the layers, and lamination using a uniaxial press or isostatic press. After high temperature firing, the cathode and electrical contact are screen printed and fired once again to complete the cell. This effort aimed to further develop R2R tape fabrication processes for green cell fabrication with the DOE Battery Manufacturing Facility (BMF) at ORNL as next generation improvements to current methods, focusing on R2R calendering and slot die coating for lower cost, high volume approaches for multilayer green cell fabrication. Two paths were investigated in parallel in this project. The first path was to optimize R2R processing using traditional tape cast materials from the Redox production chain on the BMF’s heated calender for compressing and laminating multilayer materials. The second path was to use BMF’s pilot-scale slot-die coater for R2R manufacturing as an alternative to tape casting of some or all of the layers in the green cell. Processes have been developed and and process conditions have been identified. Additionally, basic process economics were estimated for comparison to Redox current manufacturing approaches for the applicable process modules. The SBV program results will enable Redox to advance lower cost R2R manufacturing processes to produce millions of green cells per year on a single production line. As a result of this work, one invention disclosure has been submitted. In addition, one paper is under preparation for submission to a peer-reviewed journal.

30 DIRECT ENERGY CONVERSION↗

Multi-scale Molecular Systems Biology: Reconstruction and Model Optimization (Final Report)

Within the Biological and Environmental Research program, the goal of the Genomic Science program is to achieve a predictive, systems-level understanding of plants, microbes, and biological communities to enable biobased solutions to DOE mission challenges in energy and environment. To achieve this goal, an ultimate objective is to develop the knowledgebase, computational infrastructure, and modeling capabilities to advance predictive understanding and manipulation of biological systems. Our project has increased the modeling capabilities and computational infrastructure required to advance predictive understanding and manipulation of biological systems. In particular, we have developed novel algorithms, for modelling biochemical reaction kinetics at genome-scale. These new algorithms have been publicly disseminated as open source software with extensive documentation and tutorials that enable widespread application of this advanced software to practical modelling scenarios. The technical effectiveness of all novel software has been conclusively demonstrated and the quality of this software is maintained by a dedicated continuous integration system. Ultimately, the results of this project will benefit the public because it will enable biologists to more accurately computationally model biological systems that need to be understood to address DOE challenges in energy and environment.

09 BIOMASS FUELS↗

PV Variability at the DeSoto Next Generation Solar Energy Center (Cooperative Research and Development Final Report, CRADA Number CRD-11-425)

In order to support the continued integration of utility-scale solar photovoltaic sites into the Florida transmission system and to further enhance our understanding of the effects of cloud-induced output variability on the site and transmission operations, participant elects to enter a Cooperative Research and Development Agreement (CRADA) with the National Renewable Energy Lab (NREL). Under this agreement, NREL will work with participant to instrument their PV plant in DeSoto county FL and obtain solar radiation and power output data. The Florida Power & Light's (FPL) DeSoto Next Generation Energy Center is the largest installed PV plant in the country (25 MW). Our goal is that this site be instrumented and used for research into PV variability and forecasting.

14 SOLAR ENERGY↗

Effect of Iodide on Radiolytic Hydrogen Peroxide Generation

This report fulfills the milestone (M4SF-17PN010501041 Report on Radiolysis Modeling for the Defense Repository) to discuss continued integration of the PNNL Radiolysis Model and the ANL Mixed Potential Model. This work concerns the development of an integrated Radiolysis Model (RM) for evaluating defense waste materials (oxide and metal) degradation and radionuclide mobilization. Within an anoxic repository environment, primary oxidizing species (e.g., hydrogen peroxide (H 2 O 2 ), OH• radicals, as well as chlorate and other oxidizing species depending on the disposal environment) will be generated at the surface of the nuclear waste forms as a function of their specific activity. RM development has included expansion of chemical environments considered to encompass species for various disposal environments. PNNL has been coordinating this effort with ANL on the integration of the radiolysis work with the fuel degradation model. In this study, we demonstrate and approximate possible effects of iodide on H 2 O 2 generation. As has been shown these are conditions for which H 2 O 2 generation is reduced. We find that the presence of the iodide ion reduces the steady-state H 2 O 2 concentration, but not to the same degree as bromide at micro-molar concentrations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗