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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Alternative pathways utilize or circumvent putrescine for biosynthesis of putrescine-containing rhizoferrin

The siderophore rhizoferrin (N 1 ,N 4 -dicitrylputrescine) is produced in fungi and bacteria to scavenge iron. Putrescine-producing bacterium Ralstonia pickettii synthesizes rhizoferrin and encodes a single nonribosomal peptide synthetase-independent siderophore (NIS) synthetase. From biosynthetic logic, we hypothesized that this single enzyme is sufficient for rhizoferrin biosynthesis. We confirmed this by expression of R. pickettii NIS synthetase in Escherichia coli, resulting in rhizoferrin production. This was further confirmed in vitro using the recombinant NIS synthetase, synthesizing rhizoferrin from putrescine and citrate. Heterologous expression of homologous lbtA from Legionella pneumophila, required for rhizoferrin biosynthesis in that species, produced siderophore activity in E. coli. Rhizoferrin is also synthesized by Francisella tularensis and Francisella novicida, but unlike R. pickettii or L. pneumophila, Francisella species lack putrescine biosynthetic pathways because of genomic decay. Francisella encodes a NIS synthetase FslA/FigA and an ornithine decarboxylase homolog FslC/FigC, required for rhizoferrin biosynthesis. Ornithine decarboxylase produces putrescine from ornithine, but we show here in vitro that FigA synthesizes N-citrylornithine, and FigC is an N-citrylornithine decarboxylase that together synthesize rhizoferrin without using putrescine. We co-expressed F. novicida figA and figC in E. coli and produced rhizoferrin. A 2.1 Å X-ray crystal structure of the FigC N-citrylornithine decarboxylase reveals how the larger substrate is accommodated and how active site residues have changed to recognize N-citrylornithine. FigC belongs to a new subfamily of alanine racemase-fold PLP-dependent decarboxylases that are not involved in polyamine biosynthesis. These data reveal a natural product biosynthetic workaround that evolved to bypass a missing precursor and re-establish it in the final structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Developing Separate Effects Transient Test Experiments Using an Out-of-Pile Flowing Water Loop

In 2017 the Transient Reactor Test Facility was restarted after being placed in a standby state since 1994. This Test Reactor’s restart has since enabled the progressive development of new nuclear technologies within the U.S. that were previously required to outsource to other countries. While the reactor’s restart was a large feat worthy of recognition, the experimental use of its characteristics has required the further development of in-pile experimental infrastructure sufficient to support programmatic needs. This hardware have taken the form of capsule designs (compact and elongated) as well as loop concepts representing the phenomena of interest for a subset of separate effects tests desire for each respective testing campaign. The Transient Testing Program has a large-integrated effort that aligns with the U.S. Department of Energy’s current needs. This study compliments those programmatic elements by developing, fabricating and demonstrating a full-scale flowing water loop in an out-of-pile environment. The goal of this effort is to develop a pragmatic understanding of the engineering capabilities and limitations associated with geometric form-factors, metering technology, and controls logic under representative thermal hydraulic conditions that would be experienced within the TREAT reactor during an in-pile reactivity initiated accident test. The outcomes of this study result in an evaluation of the conceptual design of a comprehensive flowing water loop including objective figures of merit (FoMs) for comparing unique instrumentation and the basis for their selection during operations. These efforts directly contribute to and are required for the further advancement of transient testing capabilities within the U.S.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

On the Language of Reliability: A System Engineer Perspective

In its classical definition, risk is defined by three elements: what can go wrong, what are its consequences, and how likely is it to occur? While this definition makes sense in a regulatory-based framework where for the current fleet of operating light water reactors (LWRs), the risks associated with nuclear power plants typically are characterized in terms of core damage and large early release frequency (LERF), this approach does not provide a useful snapshot of the health of the plant from a broader perspective. This is due to the very narrow context in which the term “risk” typically is defined as nuclear safety aspects that have the potential to impact public health. In this paper, we take the viewpoint of nuclear safety that is reflective of the current fleet of operating LWRs for which core damage frequency and LERF are appropriate metrics. For other advanced reactor designs, other more applicable technology neutral metrics of reactor safety metrics would be specified. A possible alternate path would start by redefining the word risk with a broader meaning that better reflects the needs of a system health and asset management decision-making process. Rather than asking how likely an event could occur (in probabilistic terms), we can ask how far this event is from occurring. Our approach starts by defining and quantifying component and system health in terms of a “distance” between its actual and limiting conditions, i.e., determination of the margin that exists between the current state/condition and the state where the component/system is no longer capable of achieving its intended function. A margin is a measure that is more reflective of the current state or performance of a component, and therefore more closely tied to decisions that are made on an ongoing basis. Further, we will show how, given the data available from plant equipment reliability and monitoring (e.g., pump vibration data) and prognostic (e.g., component remaining useful life estimation) data, a margin can be described and determined for all types of maintenance approaches (e.g., corrective or predictive maintenance). We show how classical reliability models (e.g., fault trees) can be used to quantify the system margin provided component margin values. In the approach described in this paper, the propagation of margin values through classical reliability models are not performed using classical probabilistic calculations applied to sets (as performed in a typical plant probabilistic risk assessment). Instead, we show how it is possible to propagate margin values through Boolean logic gates (i.e., AND and OR operators) through distance-based operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Systems Engineering and Analysis in Support of a US Federal Staging Facility for UNF

The US Department of Energy Office of Nuclear Energy (DOE-NE) Office of Spent Fuel and High-Level Waste Disposition is examining a set of system options and conducting supporting analyses to inform the development of an integrated waste management system, which may include one or more federal staging facilities (FSFs) for used nuclear fuel (UNF ) sited using a collaborative siting process. This paper focuses on the ongoing activities in two systems engineering and analysis work areas: (1) data and tools development, validation, and maintenance and (2) systems engineering execution. Within the first work area, the STANDARDS 5.0 UNF data and analysis tool, formerly known as UNF-ST&DARDS, is being developed as a foundational resource to assist in the management of UNF data. It has the key capability to model UNF throughout the entire back end of the fuel cycle. STANDARDS also includes several compatible analysis tools for the time-dependent characterization of UNF and related systems by interfacing with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Also, within the data and tools area is the Next Generation System Analysis Model (NGSAM), which is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system, including the transportation of UNF to and from a FSF. NGSAM has been developed to enable informed decision-making by providing the capability to analyze various potential system options for the management of UNF and high-level radioactive waste. Finally, in the systems engineering execution area, the team has begun to apply a disciplined systems engineering approach at the system level along with supporting analysis to guide the development of the FSF project requirements (including associated transportation infrastructure). Systems engineering principles and practices and their adaptation/application to design and development activities will ensure that the waste management system is effectively implemented as work proceeds. Other activities include investigating the implications of changes in various assumptions and parameters related to waste management systems, such as UNF acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed facility operation start dates. Keywords: federal staging facility (FSF), used nuclear fuel (UNF), integrated waste management (IWM) system, Next Generation System Analysis Model (NGSAM), STANDARDS, systems engineering

Joseph, Robert↗
DOE OSTI2020

A Code-Agnostic Driver Application for Coupled Neutronics and Thermal-Hydraulic Simulations

While the literature has numerous examples of Monte Carlo and computational fluid dynamics (CFD) coupling, most are hard-wired codes intended primarily for research rather than as standalone, general-purpose applications. In this work, we describe an open source application, ENRICO, that enables coupled neutronic and thermal-hydraulic simulations between multiple codes that can be chosen at runtime (as opposed to a coupling between two specific codes). The application has been designed such that the control flow logic, domain mapping, nonlinear fixed-point iteration, solution transfers, and convergence checks are all agnostic to the underlying physics solvers used. Special emphasis has also been placed on enabling efficient execution on distributed-memory computing environments. The transfer of solution fields between solvers is performed in memory rather than through filesystem I/O. Additionally, solvers can be configured to run on overlapping or disjoint sets of processes. To date, coupling with the OpenMC and Shift Monte Carlo codes, the Nek5000 CFD code, and a simplified heat diffusion and subchannel solver has been implemented in ENRICO. We present results for coupled simulations of a single light-water reactor fuel assembly based on the NuScale reactor using various combinations of the physics solvers. For this problem, the coupled simulations are shown to converge in about four Picard iterations. A comparison of the heat source and temperature distributions computed by ENRICO using OpenMC coupled with Nek5000 and Shift coupled with Nek5000 illustrates remarkable agreement between the codes.

42 ENGINEERING↗
DOE OSTI2021

Transformational Challenge Reactor Safety Design and Radionuclide Retention Strategy

An integrated safety design and radionuclide (RN) retention strategy is developed to support the Transformational Challenge Reactor (TCR) demonstration. This demonstration aims to showcase viability for rapid deployment of a novel reactor by leveraging the advances in materials, manufacturing, and computational sciences through a highly integrated and agile design and development approach. This strategy provides a logical description and understanding of how RNs are contained within the facility. Rather than discussing fission product barriers individually between separate design and safety basis reports, this paper provides a consistent description and narrative to better facilitate regulatory interactions and focus safety design efforts. The principal barriers credited include the various coating layers in the tristructural isotropic (TRISO) fuel particle, the silicon carbide (SiC) matrix hosting the particles within the fuel element, the helium pressure boundary, and the confinement system. The choice and assumed performance of the credited barriers are highly conservative, which is a direct reflection of the low hazard that the TCR demonstration presents and the need to simplify and focus the safety review process accordingly. However, the strategy and the associated framework are generalized and may be adopted and tailored to support other advanced reactor demonstration efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Enhancing Monte Carlo Workflows for Nuclear Reactor Analysis with Metamodel-Driven Modeling

Monte Carlo codes are essential components of many reactor physics simulation workflows as high-fidelity continuous-energy neutron transport solvers. Among Monte Carlo radiation transport codes, MCNP is particularly notable due to its diverse simulation capabilities, large user base, and long validation history. Despite being a powerful simulation tool, MCNP provides limited capabilities to allow automated execution, model transformation, or support for user-defined logic and abstractions that limit its compatibility with modern workflows. Here, to better integrate MCNP into a modern scientific workflow, we have developed an intuitive yet full-featured MCNP Application Program Interface (API) in Python, named MCNPy, which provides a specialized set of classes for MCNP input development. Moreover, to guarantee that our reading, writing, and modeling capabilities remain self-consistent (and to render the huge scope of the MCNP API manageable), we have adopted a strategy of model-driven software development in which a generalized model of the MCNP input format has been created. From this generalized model, or “metamodel,” problem-specific implementations such as an engine for input validation or a codebase for programmatic operations may be automatically generated. Since MCNPy primarily acts as a Python front-end to the underlying Java API that directly interfaces with the metamodel, it is intrinsically linked to the metamodel and thus remains maintainable. With MCNPy, users can programmatically read, write, and modify any syntactically valid MCNP input file regardless of its origin. These capabilities allow users to automate complicated tasks like design optimization and model translation for nuclear systems. As examples, this work demonstrates the use of MCNPy to find the critical radius of a plutonium sphere and to translate a 9000+ line MCNP input file into a corresponding OpenMC model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

The 2020 Skyrmionics Roadmap

The notion of non-trivial topological winding in condensed matter systems represents a major area of present-day theoretical and experimental research. Magnetic materials offer a versatile platform that is particularly amenable for the exploration of topological spin solitons in real space such as skyrmions. First identified in non-centrosymmetric bulk materials, the rapidly growing zoology of materials systems hosting skyrmions and related topological spin solitons includes bulk compounds, surfaces, thin films, heterostructures, nano-wires and nano-dots. This underscores an exceptional potential for major breakthroughs ranging from fundamental questions to applications as driven by an interdisciplinary exchange of ideas between areas in magnetism which traditionally have been pursued rather independently. The skyrmionics roadmap provides a review of the present state of the art and the wide range of research directions and strategies currently under way. These are, for instance, motivated by the identification of the fundamental structural properties of skyrmions and related textures, processes of nucleation and annihilation in the presence of non-trivial topological winding, an exceptionally efficient coupling to spin currents generating spin transfer torques at tiny current densities, as well as the capability to purpose- design broad-band spin dynamic and logic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Metal Chalcogenides for Neuromorphic Computing: Emerging Materials and Mechanisms

The approaching end of Moore's Law scaling has significantly accelerated multiple fields of research including neuromorphic-, quantum-, and photonic computing, each of which possesses unique benefits unobtained through conventional binary computers. One of the most compelling arguments for neuromorphic computing systems is power consumption, noting that computations made in the human brain are approximately 106 times more efficient than conventional CMOS logic. This review article focuses on the materials science and physical mechanisms found in metal chalcogenides that are currently being explored for use in neuromorphic applications. We begin by reviewing the key biological signal generation and transduction mechanisms within neuronal components of mammalian brains and subsequently compare with observed experimental measurements in chalcogenides. With robustness and energy efficiency in mind, we will focus on short-range mechanisms such as structural phase changes and correlated electron systems that can be driven by low-energy stimuli, such as temperature or electric field. We aim to highlight fundamental materials research and existing gaps that need to be overcome to enable further integration or advancement of metal chalcogenides for neuromorphic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The new ITER baseline, research plan and open R&D issues

A new baseline (NB) has been proposed by the ITER Project to ensure a robust achievement of the Projects’ goals, in view of past challenges including delays incurred due to the Covid-19 pandemic, technical challenges in completing first-of-a-kind components and in nuclear licensing. The NB includes modifications to the configuration of the ITER device and its ancillaries (e.g. change from beryllium to tungsten as first wall material, modification of the heating and current drive mix, etc.) as well as additional testing of components (e.g. toroidal field coils) or phased installation (start with inertially cooled first wall before later installation of the final actively water-cooled components) to minimise operational risks. In the NB, the ITER research plan (IRP) will be divided into three main phases: (a) start of research operation, with 40 MW of ECH and 10 MW of ICH, which will focus on the demonstration of 15 MA operation in L-mode, commissioning of all required systems, including disruption mitigation, and the demonstration of H-mode plasma operation in deuterium; (b) DT-1, with 60–67 MW of ECH, 33 MW of neutral beam injection (NBI) and 10–20 MW of ICH, which will demonstrate robust operation in high confinement H-mode plasmas in DT up to Q ⩾ 10 and for burn durations of 300–500 s within an accumulated neutron fluence of ∼1% of the ITER machine’s lifetime total, and; (c) DT-2, with up to 67 MW of ECH, up to 49.5 MW of NBI and up to 20 MW of ICH, with the ITER tokamak and ancillaries in their final configuration to demonstrate routine operation in DT plasmas at high Q and the Q ⩾ 5 long-pulse and steady-state scenarios to the final neutron fluence and to perform R&D on nuclear fusion reactor issues. The logic, physics basis, modelling and experimental evaluations carried out to support the NB and the associated IRP are described. These include the impact of the tungsten wall on plasma scenarios and associated risk mitigation measures, as well as the optimisation of the tokamak components and ancillaries to minimise Project risks. Open R&D issues related to these evaluations and mitigation measures are also described together with experimental, modelling and validation activities required to address them.

ITER↗
DOE OSTI2020

A non-orthogonal variational quantum eigensolver

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the ground state of a system by solving a generalized eigenvalue problem in a subspace spanned by a collection of parametrized quantum states. This allows for the systematic improvement of a logical wavefunction ansatz without a significant increase in circuit complexity. To minimize the circuit complexity of this approach, we propose a strategy for efficiently measuring the Hamiltonian and overlap matrix elements between states parametrized by circuits that commute with the total particle number operator. This strategy doubles the size of the state preparation circuits but not their depth, while adding a small number of additional two-qubit gates relative to standard variational quantum eigensolver. We also propose a classical Monte Carlo scheme to estimate the uncertainty in the ground state energy caused by a finite number of measurements of the matrix elements. We explain how this Monte Carlo procedure can be extended to adaptively schedule the required measurements, reducing the number of circuit executions necessary for a given accuracy. We apply these ideas to two model strongly correlated systems, a square configuration of H4 and the π-system of hexatriene (C6H8).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

Abstract Donor spins in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.

Joecker, Benjamin (ORCID:0000000302635440)↗
DOE OSTI2023

Spatially-resolved dynamic sampling of different phasic magnetic resonances of nanoparticle ensembles in a magnetotactic bacterium Magnetospirillum magnetotacticum

Abstract Nanoscaled magnetic particle ensembles are promising building blocks for realizing magnon based binary logic. Element-specific real-space monitoring of magnetic resonance modes with sampling rates in the GHz regime is imperative for the experimental verification of future complex magnonic devices. Here we present the observation of different phasic magnetic resonance modes using the element-specific technique of time-resolved scanning transmission x-ray microscopy within a chain of dipolarly coupled Fe 3 O 4 nanoparticles (40–50 nm particle size) inside a single cell of a magnetotactic bacterium Magnetospirillum magnetotacticum . The particles are probed with 25 nm resolution at the Fe L 3 x-ray absorption edge in response to a microwave excitation of 4.07 GHz. A plethora of resonance modes is observed within multiple particle segments oscillating in- and out-of-phase, well resembled by micromagnetic simulations.

time-resolved scanning transmission x-ray microsco↗
DOE OSTI2025

Unified ELM Suppression on KSTAR and DIII-D via Adaptive Feedback Control Strategies

This paper reports on the extension of our amplitude-based resonant magnetic perturbation (RMP) edge localized mode (ELM) controller to support phasing control (relative toroidal phases of RMP waveforms between rows of coils), multiple toroidal mode numbers, and new ‘jump’ and ‘probing’ strategies, all deployed on KSTAR and DIII-D. By treating the control algorithm as device-independent and adjusting only the real-time interfaces to sensors and power supplies, we have confirmed that the same finite state machine—based feedback logic can be ported between machines with minor modifications. In experiments using n = 2 RMPs on KSTAR and n = 3 on DIII-D, the controller successfully modulated RMP amplitudes in real time to sustain ELM suppression while minimizing confinement degradation. Phasing control broadened the suppression window, as it permitted the system to avoid locked-mode regions and safely access ELM-free conditions. A rotating RMP phasing scheme, integrated into the same framework, distributes divertor heat loads more uniformly, making it a promising strategy for protecting plasma-facing components during long discharges. New ‘jump’ and ‘probing’ techniques demonstrate the possibility for the controller to preempt imminent ELMs and refine the minimum required RMP amplitude without returning to ELMy conditions. Taken together, these upgrades enable extended ELM-free operation while mitigating confinement degradation, providing a practical framework for real-time ELM control in future high-performance tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nonequilibrium formulation of varying-temperature bit erasure

Landauer's principle states that erasing a bit of information at fixed temperature T costs at least $k$ B $T$ ln 2 units of work. Here we investigate erasure at varying temperature, to which Landauer's result does not apply. Here we formulate bit erasure as a stochastic nonequilibrium process involving a compression of configuration space, with physical and logical states associated in a symmetric way. Erasure starts and ends at temperature T, but temperature can otherwise vary with time in an arbitrary way. Defined in this way, erasure is governed by a set of nonequilibrium fluctuation relations that show that varying-temperature erasure can done with less work than $k$ B $T$ ln 2. As a result, erasure and the complementary process of bit randomization can be combined to form a work-producing engine cycle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Beam test performance of prototype silicon detectors for the Outer Tracker for the Phase-2 Upgrade of CMS

A new CMS tracker detector will be installed for operation at the High Luminosity LHC (HL-LHC). This detector comprises modules with two closely spaced parallel sensor plates and front-end ASICs capable of transmitting tracking information to the CMS Level-1 (L1) trigger at the 40 MHz beam crossing rate. The inclusion of tracking information in the L1 trigger decision will be essential for selecting events of interest efficiently at the HL-LHC. The CMS Binary Chip (CBC)has been designed to read out and correlate hits from pairs of tracker sensors, forming so called track stubs. For the first time, a prototype irradiated module and a full-sized module, both equipped with the version 2 of the CBC, have been operated in test beam facilities. The efficiency of the stub finding logic of the modules for various angles of incidence has been studied. The ability of the modules to reject tracks with transverse momentum less than 2 GeV has been demonstrated. For modules built with irradiated sensors, no significant drop in the stub finding performance has been observed. Results from the beam tests are described in this paper.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

The JSNS 2 data acquisition system

The JSNS 2 (J-PARC Sterile Neutrino Search at J-PARC Spallation Neutron Source) experiment aims to search for neutrino oscillations over a 24 m short baseline at J-PARC. The JSNS 2 inner detector is filled with 17 tons of gadolinium(Gd)-loaded liquid scintillator (LS) with an additional 31 tons of unloaded LS in the intermediate γ-catcher and an optically separated outer veto volumes. A total of 120 10-inch photomultiplier tubes observe the scintillating optical photons and each analog waveform is stored with flash analog-to-digital converters. Here, we present details of the data acquisition, processing, and data quality monitoring system. We also present two different trigger logics which are developed for the beam and self-trigger.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Event driven readout architecture with non-priority arbitration for radiation detectors

A novel event driven readout architecture, EDWARD (Event Driven with Access and 8 Reset Decoder) architecture, for highly granular pixel detectors is presented. It incorporates, inter alia, an asynchronous arbitration tree based on Seitz' arbiters, removing the need for an imposed prioritization scheme. It also provides protection against glitches during readout. The system allows not only reading pixel activities, but also retrieving additional data, both analog and digital, from the pixels. A novel in-channel logic allows the entire readout process to be split into consecutive phases for additional flexibility. All operations are controlled by only one edge of the clock signal, seen as an acknowledge token, so there is no dead time between readouts.

47 OTHER INSTRUMENTATION↗