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At least 1,153 records · Page 64

All sources NASA NTRS DOE OSTI

DOE OSTI2011

Self-assembling RNA square

The three-dimensional structures of noncoding RNA molecules reveal recurring architectural motifs that have been exploited for the design of artificial RNA nanomaterials. Programmed assembly of RNA nanoobjects from autonomously folding tetraloop-receptor complexes as well as junction motifs has been achieved previously through sequence-directed hybridization of complex sets of long oligonucleotides. Due to size and complexity, structural characterization of artificial RNA nanoobjects has been limited to low-resolution microscopy studies. Here we present the design, construction, and crystal structure determination at 2.2 {angstrom} of the smallest yet square-shaped nanoobject made entirely of double-stranded RNA. The RNA square is comprised of 100 residues and self-assembles from four copies each of two oligonucleotides of 10 and 15 bases length. Despite the high symmetry on the level of secondary structure, the three-dimensional architecture of the square is asymmetric, with all four corners adopting distinct folding patterns. We demonstrate the programmed self-assembly of RNA squares from complex mixtures of corner units and establish a concept to exploit the RNA square as a combinatorial nanoscale platform.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

QuaSiMo: A composable library to program hybrid workflows for quantum simulation

Abstract A composable design scheme is presented for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. The proposed object‐oriented approach is based on constructing an expressive set of common data structures and methods that enables programming of a broad variety of complex hybrid quantum simulation applications. The abstract core of the scheme is distilled from the analysis of the current quantum simulation algorithms. Subsequently, it allows synthesis of new hybrid algorithms and workflows via the extension, specialisation, and dynamic customisation of the abstract core classes defined by the proposed design. The design scheme is implemented using the hardware‐agnostic programming language QCOR into the QuaSiMo library. To validate the implementation, the authors test and show its utility on commercial quantum processors from IBM and Rigetti, running some prototypical quantum simulations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Hydrodynamic Analysis and Optimization of Aquantis Marine Turbine: Cooperative Research and Development (Final Report)

The primary aim of this proposal is to improve the accurate prediction of hydrodynamic performance and dynamic load responses of the AQ10 floating axial-flow tidal turbine with a tri-cat mooring configuration. The validation of reduced-order modeling approaches with high-fidelity model will be implemented. Additionally, the frequency response domain, Response Amplitude Floating Wind (RAFT) toolbox plus an optimizer expanded for marine hydrokinetic turbines under the Submarine Hydrokinetic And Riverine Kilo-megawatt. Systems (SHARKS) program will be used for designing and exploring different key design parameters (platform dimension, mooring layout and its parameters) of next marine hydrokinetic (MHK) turbine generation.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Process design of the piperazine advanced stripper for a 460 MW NGCC

The Texas Carbon Management Program is conducting a Front-End Engineering Design (FEED) for Piperazine with the Advanced Stripper™ (PZAS™) at a natural gas combined cycle power plant in west Texas. Here, this paper presents the design of the advanced stripper system with an emphasis on the selection of packing type, packing height, column diameter, and heat exchanger size, demonstrates the effect of ambient temperature swing on the regeneration energy requirement, and investigates two alternate process configurations that provide better energy performance than PZAS™. The design uses 2 stripper trains, and each train uses two cold cross exchangers, one hot cross exchanger, a stripper column, a CO 2 exchanger, and a condenser. Each column consists of two sections of random packing with RSR 2 packing at the top and RSR 3 packing at the bottom, with a total packed height of 7.5 m. The cold exchanger was designed with an NTU of 6, the hot exchanger with an NTU of 2, and the CO 2 exchanger with an NTU of 5. At 0.4 rich loading and 0.2 lean loading, this design resulted in a heat duty of 2.85 GJ/tonne CO 2 . The heat duty can vary up to 3.1 GJ/tonne CO 2 due to lower rich loading at higher summer temperature, but the absolute steam requirement is 8–15% lower in the summer. An alternate design, PZAS with hot rich bypass, is proposed, which can reduce the equivalent work of stripping by 1.5–3.5% compared to PZAS at low heat exchanger size, due to a reduction in stripper driving force. Using a hot rich bypass increases the vapor fraction of the total rich bypass stream from 0.3 to 1 mol% compared to using the warm rich bypass, which also contributes to a reduction in lost work in the column. PZAS with hot rich bypass outperforms PZAS in energy requirement below a packing height of 15 m, but fails to do so above 15 m of packing due to a column pinch that results in little change in LMTD of the column. PZAS with hot rich bypass has the potential to minimize capital cost in addition to reducing energy requirement as it requires less packing to strip CO 2 than PZAS and requires only one cross exchanger with 8 heat transfer units.

03 NATURAL GAS↗

DOE OSTI2024

IMPACT: Design of Integrated Multiphysics Producible Additive Components for Turbomachinery

The overall objective of the IMPACT program was to enable a dramatic reduction in design maturation time for an additive hot-section turbomachinery component through the following: • A fast crack-risk producibility surrogate model generated from machine learning applied to additive process simulation data generated via exascale computing, • Linking this surrogate model to multi-physics topology optimization (TO) to enable the creation of producible, near-optimal structural/thermal designs for additive hot-section components, • Maturing this toolset to reduce hot-section component design-for-manufacturing iterations by a large fraction, and eventually, • Using these tools to develop more efficient gas turbines in much shorter design cycle times.

42 ENGINEERING↗

DOE OSTI2016

Consulting on HTGR Design and Analysis Methods - Lommers

The Advanced Reactor Technologies – Gas Cooled Reactor (ART-GCR) program has undertaken an effort to develop point designs of a gas-cooled, graphite moderated irradiation test reactor (TR) and a larger demonstration reactor (DR). The Department of Energy (DOE) is specifying requirements and performance metrics for these two systems. Both designs pose challenges, and their development will benefit from interaction with a potential vendor. The work defined in this subcontract supports the effort to generate point designs for gas-cooled test and demonstration reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

Quantum chemistry is a discipline which relies heavily on very expensive numerical computations. The scaling of correlated wave function methods lies, in their standard implementation, between O(N-5) and O(e(N)), where N is proportional to the system size. Therefore, performing accurate calculations on chemically meaningful systems requires (i) approximations that can lower the computational scaling and (ii) efficient implementations that take advantage of modern massively parallel architectures. QUANTUM PACKAGE is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods and multireference second-order perturbation theory (PT2). The determinant-driven framework allows the programmer to include any arbitrary set of determinants in the reference space, hence providing greater methodological freedom. The sCI method implemented in QUANTUM PACKAGE is based on the CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively) algorithm which complements the variational sCI energy with a PT2 correction. Additional external plugins have been recently added to perform calculations with multireference coupled cluster theory and range-separated density-functional theory. All the programs are developed with the IRPF90 code generator, which simplifies collaborative work and the development of new features. QUANTUM PACKAGE strives to allow easy implementation and experimentation of new methods, while making parallel computation as simple and efficient as possible on modern supercomputer architectures. Currently, the code enables, routinely, to realize runs on roughly 2 000 CPU cores, with tens of millions of determinants in the reference space. Moreover, we have been able to push up to 12 288 cores in order to test its parallel efficiency. In the present manuscript, we also introduce some key new developments: (i) a renormalized second-order perturbative correction for efficient extrapolation to the full CI limit and (ii) a stochastic version of the CIPSI selection performed simultaneously to the PT2 calculation at no extra cost.

Garniron, Yann↗

DOE OSTI2024

Design of Defensive Cybersecurity Architectures for High Temperature, Gas-Cooled Reactors

This report presents the design of defensive cybersecurity architectures (DCSAs) for High Temperature, Gas-Cooled Reactors (HTGRs). A DCSA is a cybersecurity design feature that places systems into security zones in a graded approach according to the importance of the functions performed by the systems. DCSA design efforts for advanced reactors may commence as early as the system-level design phase. This design approach is consistent with the draft regulatory guide for advanced reactor cybersecurity programs (DG-5075) and enables advanced reactor designers to consider the effects of security-by-design (SeBD) features on their DCSAs. Integration of DCSA design and other cybersecurity activities with the traditional design process as part of a SeBD framework may enable advanced reactor designers to improve the security posture of their plants while reducing implementation and operating costs. This report provides a DCSA template for an exemplar HTGR and describes a DCSA design process using event tree analysis so that the template may be optimized for a given HTGR design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Design of Defensive Cybersecurity Architectures for Sodium-Cooled Fast Reactors

This report presents the design of defensive cybersecurity architectures (DCSAs) for Sodium-Cooled Fast Reactors (SFRs). A DCSA is a cybersecurity design feature that places systems into security zones in a graded approach according to the importance of the functions performed by the systems. DCSA design efforts for advanced reactors may commence as early as the system-level design phase. This design approach is consistent with the draft regulatory guide for advanced reactor cybersecurity programs (DG-5075) and enables advanced reactor designers to consider the effects of security-by design (SeBD) features on their DCSAs. Integration of DCSA design and other cybersecurity activities with the traditional design process as part of a SeBD framework may enable advanced reactor designers to improve the security posture of their plants while reducing implementation and operating costs. This report provides a DCSA template for an exemplar SFR and how the template may be optimized for a given SFR design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Next-Generation Intensity-Duration-Frequency Curves for Climate-Resilient Infrastructure Design: Advances and Opportunities

National and international security communities (e.g., U.S. Department of Defense) have shown increasing attention for innovating critical infrastructure and installations due to recurring high-profile flooding events in recent years. The standard infrastructure design approach relies on local precipitation-based intensity-duration-frequency (PREC-IDF) curves that do not account for snow process and assume stationary climate, leading to high failure risk and increased maintenance costs. This paper reviews the recently developed next-generation IDF (NG-IDF) curves that explicitly account for the mechanisms of extreme water available for runoff including rainfall, snowmelt, and rain-on-snow under nonstationary climate. The NG-IDF curve is an enhancement to the PREC-IDF curve and provides a consistent design approach across rain- to snow-dominated regions, which can benefit engineers and planners responsible for designing climate-resilient facilities, federal emergency agencies responsible for the flood insurance program, and local jurisdictions responsible for developing design manuals and approving subsequent infrastructure designs. Further, we discuss the recent advances in climate and hydrologic science communities that have not been translated into actional information in the engineering community. To bridge the gap, we advocate that building climate-resilient infrastructure goes beyond the traditional local design scale where engineers rely on recipe-based methods only; the future hydrologic design is a multi-scale problem and requires closer collaboration between climate scientists, hydrologists, and civil engineers.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

2019 LLNL Nuclear Science and Security Summer Internship Program

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2020

2020 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work in poster format at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2020 NS 3 IP was organized as an “all-virtual” internship program. With LLNL’s extensive institutional support, students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours were performed remotely. While this virtual internship format did not allow for hands-on laboratory research projects, both the interns and their mentors constructed creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL interests in nuclear security.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

2021 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work in poster format at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2021 NS 3 IP was organized as an “all-virtual” internship program. With LLNL’s extensive institutional support, students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours were performed remotely. While this virtual internship format did not allow for hands-on laboratory research projects, both the interns and their mentors constructed creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL interests in nuclear security. We anticipate a return to an in-person internship format for the summer of 2022.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2011

The Development, Content, Design, and Conduct of the 2011 Piloted US DOE Nuclear Criticality Safety Program Criticality Safety Engineering Training and Education Project

In May 1973 the University of New Mexico conducted the first nationwide criticality safety training and education week-long short course for nuclear criticality safety engineers. Subsequent to that course, the Los Alamos Critical Experiments Facility (LACEF) developed very successful 'hands-on' subcritical and critical training programs for operators, supervisors, and engineering staff. Since the inception of the US Department of Energy (DOE) Nuclear Criticality Technology and Safety Project (NCT&SP) in 1983, the DOE has stimulated contractor facilities and laboratories to collaborate in the furthering of nuclear criticality as a discipline. That effort included the education and training of nuclear criticality safety engineers (NCSEs). In 1985 a textbook was written that established a path toward formalizing education and training for NCSEs. Though the NCT&SP went through a brief hiatus from 1990 to 1992, other DOE-supported programs were evolving to the benefit of NCSE training and education. In 1993 the DOE established a Nuclear Criticality Safety Program (NCSP) and undertook a comprehensive development effort to expand the extant LACEF 'hands-on' course specifically for the education and training of NCSEs. That successful education and training was interrupted in 2006 for the closing of the LACEF and the accompanying movement of materials and critical experiment machines to the Nevada Test Site. Prior to that closing, the Lawrence Livermore National Laboratory (LLNL) was commissioned by the US DOE NCSP to establish an independent hands-on NCSE subcritical education and training course. The course provided an interim transition for the establishment of a reinvigorated and expanded two-week NCSE education and training program in 2011. The 2011 piloted two-week course was coordinated by the Oak Ridge National Laboratory (ORNL) and jointly conducted by the Los Alamos National Laboratory (LANL) classroom education and facility training, the Sandia National Laboratory (SNL) hands-on criticality experiments training, and the US DOE National Criticality Experiment Research Center (NCERC) hands-on criticality experiments training that is jointly supported by LLNL and LANL and located at the Nevada National Security Site (NNSS) This paper provides the description of the bases, content, and conduct of the piloted, and future US DOE NCSP Criticality Safety Engineer Training and Education Project.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Investigation of Scanning Droplet Cell Technology for Electrochemical Deposition of Custom Three-Dimensional Alloys

The goal of this project was to assess the feasibility of a new method of electroplating, which we have termed “electroprinting”, for fabricating millimeter to centimeter metal parts with full density, and eventually, with bespoke 3D internal density patterns. Alloys, gradients and varying density is beyond the scope of this work, and efforts were focused on developing the technology to be capable of printing solid parts, beyond the lines and columns previously reported in the literature. Enabling this technology would expand the design space possible for the WPD program, allowing for smooth and complex density gradients in parts rather than discrete density steps between multilayers. We successfully designed and built an electroprinting apparatus, capable of printing copper in customizable 1-D patterns, which can be printed in stacked layers to form 3D parts. We successfully characterized the flat printed patterns, however, have encountered difficulty in characterizing multilayer prints. We have partially addressed the feasibility question, by developing the method for electroprinting 3D parts, however, some questions about the internal porosity and density of these parts still remain.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Deep Underground Neutrino Experiment (DUNE), Far Detector Technical Design Report (Volume II: DUNE Physics)

The Physics volume of the DUNE far detector (FD) Technical Design Report (TDR) presents the science program of DUNE. Within, we describe the array of identified scientific opportunities and key goals. Crucially, we also report our best current understanding of the capability of DUNE to realize these goals, along with the detailed arguments and investigations on which this understanding is based. In the context of the complete set of DUNE TDR volumes, a central role for this volume is to document the scientific basis underlying the conception and design of the LBNF/DUNE experimental configurations. As a result, it is the description of DUNE’s experimental capabilities that constitutes the bulk of the document. Key linkages between requirements for successful execution of the physics program and primary specifications of the experimental configurations are drawn and summarized. This document also serves a wider purpose as a statement on the scientific potential of DUNE as a central component within a global program of frontier theoretical and experimental particle physics research. Thus, the presentation also aims to serve as a resource for the particle physics community at large. In this chapter, the scientific goals, the methodologies utilized to obtain sensitivity projections, the corresponding results for selected elements of the scientific program, and the demands placed on the experiment design and performance are presented in summary form. Together with the two chapters that follow, this summary establishes the context for the detailed descriptions specific to each area of research that comprise the remaining chapters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Simultaneous material, shape and topology optimization

Using three design fields we develop an optimization environment that can simultaneously optimize material, shape and topology. We use the implicit representation of the boundaries with level-set functions that define the shape and topology. Differentiable R-functions allow us to combine these shapes and topology descriptions with Boolean operations. Additionally, we incorporate design dependent-stiffness materials with another design field. Notably, this framework accommodates design dependent loads, has the ability to introduce holes, and ensures the satisfaction of optimality criteria. It builds upon the fictitious domain, ersatz material, material interpolation and level-set methods. Additionally, it also borrows from parameterized density-based topology optimization methods. Since analytical sensitivities can be computed, we use efficient nonlinear programming algorithms to update the design instead of the Hamilton–Jacobi’s scheme of level-set methods. We illustrate the features of our framework by designing a cantilever beam with octet truss microlattice, a dam with design-dependent loads, and a composite clevis plate.

42 ENGINEERING↗

DOE OSTI2018

Remediation Residential Properties Contaminated with LLRW as Part of the Port Hope Area Initiative - The Importance of Effective Community Consultation - 18591

The Port Hope Area Initiative (PHAI) is a community-based solution for the long-term management of historic low level radioactive waste (LLRW) resulting from 60 years of uranium and radium processing operations in the urban setting of Port Hope, Ontario. The Eldorado refinery, on the shores of Lake Ontario, began refining radium-226 from pitchblende ore, later transitioning to the refining of uranium ore. Process residues were deposited at the Welcome Waste Management Facility in the Municipality of Port Hope until the mid-1950's switching to the Port Granby Waste Management Facility (PGWMF), which continued to accept waste until the late 1980's. Within the community of Port Hope, surveys are being conducted at approximately 4800 individual properties to identify the presence of LLRW resulting from fugitive emissions from the refinery and/or the use of refinery residue as construction backfill within the community. Identification of the presence of LLRW is based on multiple lines of evidence including reviews of historical information, gamma radiation surveys and physical sampling of soil for the presence of four signature contaminants. Of the 4800 properties being surveyed, it is expected that approximately 10% will contain some degree of LLRW requiring physical remediation. Many of the residences requiring remediation will require extensive soil removal, removal and restoration of outbuildings, fences and other structures, and the removal of mature trees, hedges and decorative gardens. For the property owners involved this phase represents the final and most intrusive aspect of the program. As such, the remedial designs must be sensitive to the needs of the community and individual property owners taking into consideration factors such as the need to minimize the disturbance to the neighborhood; maintaining geotechnical and structural stability of homes during excavations; removal and restoration of outbuildings affected by LLRW; removal and replacement of landscaping features (decks, fences, pools etc) and mature trees; radiation protection during earthworks; control of dust and noise; and maintaining safe access by residents. As Community satisfaction is a key metric for the success of the project, constant and effective communication at all stages of the project is necessary to ensure the residents understand the nature and extent of work to be undertaken; any and all inconveniences they can expect during the work; contingencies to deal with those inconveniences (e.g. parking, garbage collection etc); measures to protect their health and safety; scheduling; and what their property will look like at the completion of works. This paper provides an overview of the residential remediation program in Port Hope and describes the consultation efforts with property owners that are integral to the development of final designs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗