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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Analysis of Remotely Sensed Datasets to Detect Changes in Waste Sites

This work evaluated various indirect remote techniques for detecting surficial changes and structural land deformation at the Hanford site. Given the partial collapse of the PUREX tunnel, and possible surface subsidence at other burial sites containing radioactive waste and contaminated equipment, timely alert and knowledge related to land surface elevation changes has emerged as a management priority. Findings of this study suggests that space borne RADAR and multispectral based-analysis would be of significant value in detecting changes in surficial and structural land features that may be otherwise undetectable or unnoticed from field observations alone. A continuous, and potentially semi-automated, monitoring program would add critical insight to recovering from, and predicting episodic type events, such as the tunnel collapse. Furthermore, an indirect approach ultimately saves resources and time, and avoids unnecessary risk associated with ground-based monitoring. Various options for supporting such an effort are described in the final section of this document.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

WNSL Decommissioning Project (Final Report)

This technical report describes the decommissioning of the tandem accelerator at the Wright Nuclear Structure Laboratory (WNSL) at Yale University and the disposition of equipment from the WNSL experimental areas. For the past several decades Yale University hosted the Wright Nuclear Structure Laboratory with a tandem accelerator facility as a DOE Nuclear Physics-funded user laboratory and Center of Excellence. Operations of the Tandem facility ended in 2011 and a broad, new research program in nuclear physics with particular focus on experimental neutrino physics and fundamental symmetries was initiated in 2013. Removal of unused equipment and decommissioning of the WNSL accelerator and experimental facilities was a prerequisite for the new use of this laboratory space. This report describes the safe and orderly disposition of equipment from the main experimental areas and the decommissioning of the accelerator at WNSL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Linking the Codependence of Grain Boundary Structure and Density to Defect Evolution Mechanisms during Radiation Damage

There is little understanding of the direct link between grain boundary character and density, and defect denuded zones. For example, the role of reduced grain size to the nanocrystalline regime and subsequent increase in grain boundary density is not fully understood in the context of dislocation or void behavior near grain boundaries. In addition, little is understood experimentally on how defect absorption changes the structure of the grain boundary during irradiation and may play a role in the migration of defects and solutes. This work aims to define a framework for understanding the origin of radiation damage mechanisms in model BCC and FCC nanocrystalline materials, on which a foundation of radiation tolerant material development can be built. The key questions that will be addressed by this work are: 1. What is the influence of GB density and GB character (GBC) on radiation damage accumulation near grain boundaries in model nanocrystalline FCC and BCC alloys; how are these two effects connected? 2. In the context of radiation induced segregation (RIS), what effect does species dependent interstitial diffusion have on the GB chemistry in light of these two dependencies? 3. How does grain boundary sink efficiency evolve with radiation over time? In situ and analytical transmission electron microscopy techniques are used to study both pure and alloy nanocrystalline materials under irradiation. TEM samples prepared from thin films will be irradiated in-situ, allowing for dynamic observation of the behavior of the alloy under ion irradiation. The key findings from this program were (1) the control of thin film texture via sputtering; (2) the development of characterization tools for defects and grain boundary quantification; (3) the development of new techniques for defect characterization toward high throughput analysis; (4) a mapped out parameter space for defect evolution as a function of grain size and grain boundary character; and finally (5) an indication of sink efficiency and its stability during irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluating Variable-Impedance Magnetically-Insulated Transmission Lines as a Risk-Mitigation Measure for Next-Generation Pulsed Power

This project has produced the first detailed characterizations of power flow resulting from applying the “variable-impedance MITL” concept to real-life systems in Sandia’s pulsed power program (Z and next-generation pulsed power (NGPP)). We present simulation results and analyses for constant-impedance versions of both Z and NGPP and survey the operational viability of several variable-impedance re-designs in the parameter space of linear tapers. Circuit modeling (SCREAMER/Bertha) was used to pinpoint promising candidate designs, and EM-PIC (Empire) simulations were used to evaluate these candidates more rigorously. This approach was particularly successful in the Z regime which resulted in the identification of several viable variable-impedance MITL designs for each level. The approach was more challenged in the operating space NGPP occupies, producing data points that speak to a more restrictive design space due to anode plasma turn-on. In the end, we were able to converge on one viable variable-impedance design for the highest inductance line (level “F”) and one for the highest current line (level “A”). Altogether, the body of simulation evidence presented in this report suggest there does exist flexibility in operating space for magnetically-insulated transmission lines (MITLs) having variable geometric impedance to be a potential enabling technology for safely increasing current delivery (and potentially lowering stack voltage) in pulsed-power drivers by manipulating electron losses; however, operating points for a particular design must be carefully screened. Circuit and EM-PIC modeling provided consistent verdicts in safe operating regimes for operational viability, but additional physics such as anode plasma turn-on which is included in Empire but not in SCREAMER/Bertha was found to be a critical factor affecting power flow that lead to different assessments between the codes. It is not always the case that the occurrence of anode plasma caused a design to fail (some designs turned on anode plasma yet still delivered load currents meeting design targets); the details matter such as how early in the pulse anode surfaces break down (and how large a region). However, in every case that it did fail it was found that the feedback from anode plasma was the cause (i.e., turning off the anode plasma model in Empire restored agreement with the circuit model prediction). As circuit simulations represent an efficient and practical means of surveying design space compared to more computationally-expensive approaches such as EM-PIC, it could be prudent to invest in the research and development of models to include the effects of anode plasma such as ion emission in circuit codes. The variable-impedance MITL design is a new concept that enables controlled manipulation of the initial electron losses in the outer MITL and can be tested on Z today. We encourage follow-on work to explore further optimization (including alternative variable-impedance profiles, e.g., having constant dZ/dR), and to confirm the major findings presented in this report by fielding test hardware on actual Z shots.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Laser Powder Bed Fusion Additive Manufacture Nb1Zr Development

Next generation fission and fusion nuclear reactors require materials that can withstand operating temperatures greater than 500 °C, neutron irradiation doses of up to 200 displacements per atom (dpa), and potentially corrosive coolants such as the alkali liquid metals sodium, lithium, and NaK (Na33K eutectic alloy). Refractory alloys, such as Nb1Zr (Nb-1wt%Zr) and Molybdenum alloy TZM (Mo-0.5wt%Ti-0.08wt%Zr) have been traditionally considered viable candidates for advanced fission and fusion reactor concepts. However, it is relatively difficult to generate complex geometries of interest from these alloys using traditional manufacturing methods. In addition, there needs to be a concentrated effort to address refractory metal challenges at elevated temperature operation. In order to generate complex geometries of interest, modern manufacturing techniques are considered to increase the technological readiness level (TRL), cost-effectiveness, and schedule savings. This work focused on the continued development of laser powder bed fusion (L-PBF) additive manufacturing (AM) to improve both design flexibility, evaluate microstructure and properties, and ultimately accelerate the TRL and qualification of these processes and alloys for components to potentially be put into service. Niobium alloy Nb1Zr was identified through a down-selection process outlined in previous reports as a candidate to develop in L-PBF AM. Historically, Nb1Zr had been explored for high temperature fast spectrum fission reactors for both terrestrial and space applications. Molybdenum alloy TZM has also been considered for these reactor concepts due to exceptional high-temperature strength, creep resistance, and stability under irradiation. L-PBF AM of TZM has previously been investigated at LANL under the Microreactor program, NASA, ORNL, and in academia. However, due to the crack prone nature of TZM, L-PBF AM of TZM resulted in significant microcracking and additional development is required to pursue viable maturation. Other AM methods have been found to be more successful in printing TZM, and those alternatives approaches are discussed in this effort. The efforts detailed in this report focused on continued development of Nb1Zr through L-PBF and development of TZM via L-PBF and electron powder bed fusion (E-PBF). The objective of this work was to further the development of these AM techniques for the chosen refractory alloys, elucidating and addressing associated challenges through characterization of several demonstration builds. At LANL, Nb1Zr builds were completed using an EOS M290 and M400 machines, and a refractory alloy-dedicated L-PBF system, the Xact Metal XM200G, was installed. The XM200G primary purpose was to do the Nb1Zr parameter development process; however, due to difficulties associated with the machine installation and qualification process, it was decided to pivot development to the larger M400 and M290 machines. Although the supply of Nb1Zr powder was limited, it was sufficient to generate sub-scale metallographic specimens for the purpose of parameter development. This was first accomplished on the EOS M400 then the M290 due to machine schedule availability. Further development of TZM has been initiated at the University of Texas El Paso (UTEP) under contract with LANL to use both a heated build envelope L-PBF machine and E-PBF machine that have been found in the literature to mitigate microcracking. UTEP was provided with TZM powder and build plates to support parallel TZM parameter development across both machines. As part of the contract, UTEP will also be conducting microstructural characterization once optimized process parameters have been identified. The optimized process parameters for each machine will be used to generate a series of metallographic, mechanical, and surface finish specimens for subsequent characterization and testing. In the next section, we provide a detailed discussion of the methodology used for investigating the feasibility of leveraging these alloys for use in advanced reactor applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

RELICS: Strong Lens Models for Five Galaxy Clusters from the Reionization Lensing Cluster Survey

Strong gravitational lensing by galaxy clusters magnifies background galaxies, enhancing our ability to discover statistically significant samples of galaxies at ${\boldsymbol{z}}\gt 6$, in order to constrain the high-redshift galaxy luminosity functions. In this study, we present the first five lens models out of the Reionization Lensing Cluster Survey (RELICS) Hubble Treasury Program, based on new HST WFC3/IR and ACS imaging of the clusters RXC J0142.9+4438, Abell 2537, Abell 2163, RXC J2211.7–0349, and ACT-CLJ0102–49151. The derived lensing magnification is essential for estimating the intrinsic properties of high-redshift galaxy candidates, and properly accounting for the survey volume. We report on new spectroscopic redshifts of multiply imaged lensed galaxies behind these clusters, which are used as constraints, and detail our strategy to reduce systematic uncertainties due to lack of spectroscopic information. In addition, we quantify the uncertainty on the lensing magnification due to statistical and systematic errors related to the lens modeling process, and find that in all but one cluster, the magnification is constrained to better than 20% in at least 80% of the field of view, including statistical and systematic uncertainties. The five clusters presented in this paper span the range of masses and redshifts of the clusters in the RELICS program. We find that they exhibit similar strong lensing efficiencies to the clusters targeted by the Hubble Frontier Fields within the WFC3/IR field of view. Outputs of the lens models are made available to the community through the Mikulski Archive for Space Telescopes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Using a Neural Network Classifier to Select Galaxies with the Most Accurate Photometric Redshifts

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will produce several billion photometric redshifts (photo-z's), enabling cosmological analyses to select a subset of galaxies with the most accurate photo-z. For this work, we perform initial redshift fits on Subaru Strategic Program galaxies with deep grizy photometry using Trees for Photo-Z (TPZ) before applying a custom neural network classifier (NNC) tuned to select galaxies with (z phot – z spec )/(1 + z spec ) < 0.10. We consider four cases of training and test sets ranging from an idealized case to using data augmentation to increase the representation of dim galaxies in the training set. Selections made using the NNC yield significant further improvements in outlier fraction and photo-z scatter (σ z ) over those made with typical photo-z uncertainties. As an example, when selecting the best third of the galaxy sample, the NNC achieves a 35% improvement in outlier rate and a 23% improvement in σ z compared to using uncertainties from TPZ. For cosmology and galaxy evolution studies, this method can be tuned to retain a particular sample size or to achieve a desired photo-z accuracy; our results show that it is possible to retain more than a third of an LSST-like galaxy sample while reducing σ z by a factor of 2 compared to the full sample, with one-fifth as many photo-z outliers. For surveys like LSST that are not limited by shot noise, this method enables a larger number of tomographic redshift bins and hence a significant increase in the total signal to noise of galaxy angular power spectra.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Role of Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology: Proceedings of a Workshop

Quantum concepts hold the potential to enable significant advances in sensing and imaging technologies that could be vital to the study of biological systems. The workshop Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology, held online March 8–10, 2021, was organized to examine the research and development needs to advance biological applications of quantum technology. Hosted by the National Academies of Sciences, Engineering, and Medicine, the event brought together experts working on state-of-the-art, quantum-enabled technologies and scientists who are interested in applying these technologies to biological systems. Through talks, panels, and discussions, the workshop facilitated a better understanding of the current and future biological applications of quantum-enabled technologies in fields such as microbiology, molecular biology, cell biology, plant science, mycology, and many others. The workshop was organized around three main themes. The first, quantum in biology, examined quantum concepts that are hypothesized to be important for life processes and that researchers are working to observe through biological imaging and sensing. The second, quantum for biology, addressed ways to use quantum concepts to enhance technologies for biological imaging and sensing. The third, biology for quantum, offered a wider discussion of how the frontiers of biological imaging and sensing could enable future study using quantum concepts, tools, or technologies. Throughout the workshop, participants identified a wide range of emerging approaches and opportunities at the intersection of quantum physics and biological sensing and imaging. During the workshop, there were some differences in how each speaker defined the term quantum. During one of the panels, Prem Kumar offered thoughts on what phenomena are classical versus quantum, explaining that techniques get progressively more quantum as you move from just having superposition to having superposition with measurement and entanglement. Another explanation from Clarice Aiello delineates the definition into several levels. This includes a base level of “quantum-ness,” which reflects that all matter is made of atoms, and when these particles are isolated they behave based on quantum mechanical principles. A second level is related to quantum coherence, where a single quantum object might be found in a coherent superposition state. A final level, which she described as the quantum-entangled level, involves multiple quantum systems which are entangled among themselves. Overall, the workshop touched on concepts such as superposition, entanglement, and squeezing and their potential implications for communication, computing, and simulation, in addition to the workshop’s main focal area, biological sensing and imaging. At the opening of the workshop, Thorsten Ritz of the University of California, Irvine, identified two questions at the heart of quantum biology: Is the machinery of life quantum mechanical, and can quantum mechanics be used to study the machinery of life in new ways? Participants highlighted systems in which researchers have explored these questions, from the vast array of molecular interactions involved in biological processes such as photosynthesis, to the mechanics involved in cellular functions such as differentiation and aggregation, to the role of oscillating magnetic fields in flight orientation among birds. Sensing and imaging technologies are crucial to biological research; these technologies could both enhance the study of quantum effects and be enhanced by quantum concepts. A critical challenge in biological research is to develop imaging and sensing tools that do not damage or interfere with the often fragile and fleeting systems being studied. Attendees discussed a variety of established and emerging technologies that could enhance noninvasive biological imaging, including single- and two-photon spectroscopy, single-molecule spectroscopy, quantum illumination, ghost imaging, and cryo-electron microscopy. One example came from Marlan Scully who gave a keynote address on the first day of the workshop. Scully emphasized the use of different laser technologies, which exhibit coherence and other quantum properties, in moving toward real-world biological applications, such as the detection of SARS-CoV-2. Both tools and theory will play an important role in advancing quantum biology research and applications. Several participants suggested theorists and experimentalists should work in tandem to understand and model biological processes. While physics often reduces systems to their simplest forms for fundamental insights, participants also noted the value of observing and understanding biological systems in all their “messiness,” capturing both the inner workings of biological systems and the complex interactions that occur within and between organisms. In discussions among participants, several attendees stressed the need to match emerging tools with the right scientific questions. Rather than developing quantum technologies as “a hammer looking for a nail,” participants emphasized a focus on exploring the problems these technologies are best suited to address. For example, it is important to consider the size of the phenomenon being studied, the timescales that are important in answering the scientific question, and other relevant considerations. Every tool along the spectrum from classical to quantum involves its own set of trade-offs. For example, Ted Laurence of the Lawrence Livermore National Laboratory said that quantum measurements, such as single photon counting, fluorescence transitions, and lasers, can take longer to produce the same results as classical measurements. These quantum measurements, however, do not require calibration and can enable new research questions to be answered. Prem Kumar, Northwestern University, noted that, despite their promise, quantum approaches should not be used simply for the sake of using quantum, especially in situations where classical approaches better meet the needs of the researcher. Understanding and applying quantum concepts could enable advances in a wide range of application areas including energy, synthetic biology, medicine, and sustainability. For example, Michelle O’Malley, University of California, Santa Barbara, described how improved noninvasive imaging approaches could help capture the complex interactions and functions involved in the breakdown of organic matter by microbial communities and lead to new technologies for capturing valuable products from plant waste. Several other participants discussed needs in tracking the movement of metabolites and molecules in microbial communities for insights into nutrient cycling in environments such as soil. Margaret Ahmad, Sorbonne University, discussed potential opportunities to leverage the magnetic properties of cryptochromes to advance new treatment approaches for diseases such as COVID-19 and cancer. Looking toward the future development of the field, participants discussed challenges to advancing quantum biology that arise from disciplinary disconnects between physicists and biologists. The siloing of academic research disciplines represents a significant barrier to progress. Disconnects in terminology, motivations and priorities, and structural barriers to collaborative work underscore the need for concerted efforts to bridge these divides. Attendees and speakers offered suggestions for resolving these divergences, establishing a shared language, moving the field forward, and fostering meaningful feedback between disciplines. Overall, participants stressed a need for balance, open communication, collaboration, unity, and clear dialogue on trade-offs between quantum and classical approaches. Keiko Torii, The University of Texas at Austin, said that the best collaborations happen when the project provides mutual advantages that can show off everyone’s talents, each team finds the work interesting, and partners develop a camaraderie to pursue new knowledge. To enable near- and long-term opportunities in this space, participants suggested that exploratory, high-risk funding could improve existing instrumentation to explore quantum enhancement collaboratively. They also emphasized the need for collaboration between quantum physicists and sensing/imaging scientists, which could be advanced through a dedicated quantum biology investigator program. People, even more than technology, will be crucial to the future of quantum biology. Participants explored training, education, and workforce needs to further develop this burgeoning field and cultivate the next generation of scientists. While many programs are still in their nascent stages, participants highlighted examples of approaches and programs being developed at various types of institutions to engage students and professional scientists in quantum biology research. Several participants stressed the need for an inclusive approach, spanning disciplines as well as communities to foster a diverse field fueled by the intellectual contributions of a wide range of people, including historically under-resourced schools and students. To increase awareness and excitement about quantum physics and related areas of biology, attendees suggested capitalizing on the “buzz” around quantum. Several participants emphasized the need to start early, introducing students to quantum concepts and their appealing “weirdness” in K–12 education. Engaging students early—before they become entrenched in traditional disciplinary siloes as typically happens in graduate school—could help to galvanize interest in the area and foster a generation of scientists with the interdisciplinary mindset and skills needed to advance this interdisciplinary field. While these efforts could be advanced at many levels and across multiple sectors, several participants suggested a national quantum biology center could be a valuable hub to coordinate and support quantum biology education and workforce development across academia, industry, and government.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

BISON analyses of TRISO fuel performance, its dependence on time-at-temperature, and possible implications for fuel design and qualification

The Advanced Gas Reactor Fuel Development and Qualification (AGR) program has established a substantial technical foundation to support private entry into the U.S. high-temperature gas-cooled reactor market. However, emerging tristructural isotropic (TRISO)-fueled reactor applications include small modular reactors and microreactors with longer fuel residence times, which may expose fuels to higher time-at-temperature (TAT) values than were explored by the AGR program. Increased TAT could affect diffusive and thermomechanical behaviors such as Pd penetration, fission gas release, creep, and fission product transport. In this work, we applied multiscale best-estimate BISON fuel performance modeling to assess these effects within a representative design space based on the AGR-5/6/7 experiment and analyzed trends in predicted particle and compact fuel performance metrics with possible implications for near-term fuel design and qualification. BISON unambiguously predicted that TRISO fuel performance is sensitive to TAT. Increasing TAT was not predicted to increase the magnitude of failure-inducing tangential stresses in particle coating layers. Predictions obtained using a mechanistic model for Pd penetration indicated that penetration depth does not depend strongly on TAT. While these observations suggest that AGR testing provides a conservative upper bound for the steady-state operation of TRISO particles at lower powers and higher residence times, BISON also predicted that the release of poorly retained Ag would increase with TAT. Because these analyses applied models to extrapolate beyond the available experimental data, the authors recommend performing targeted experiments to confirm these predictions. Nevertheless, these predictions may provide reactor developers with enough confidence to make near-term design decisions associated with the potential fuel performance trade-offs of increasing TAT.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Features in simulation of crystal growth using the hyperbolic PFC equation and the dependence of the numerical solution on the parameters of the computational grid

We investigate the three-dimensional mathematical model of crystal growth called PFC (Phase Field Crystal) in a hyperbolic modification. This model is also called the modified model PFC (originally PFC model is formulated in parabolic form) and allows to describe both slow and rapid crystallization processes on atomic length scales and on diffusive time scales. Modified PFC model is described by the differential equation in partial derivatives of the sixth order in space and second order in time. The solution of this equation is possible only by numerical methods. Previously, authors created the software package for the solution of the Phase Field Crystal problem, based on the method of isogeometric analysis (IGA) and PetIGA program library. During further investigation it was found that the quality of the solution can strongly depends on the discretization parameters of a numerical method. In this report, we show the features that should be taken into account during constructing the computational grid for the numerical simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Leveraging differentiable programming in the inverse problem of neutron stars

Neutron stars (NSs) probe the high-density regime of the nuclear equation of state (EOS). However, inferring the EOS from observations of NSs is a computationally challenging task. Here, in this work, we efficiently solve this inverse problem by leveraging differential programming in two ways. First, we enable full Bayesian inference in under one hour of wall time on a GPU by using gradient-based samplers, without requiring pretrained machine learning emulators. Moreover, we demonstrate efficient scaling to high-dimensional parameter spaces. Second, we introduce a novel gradient-based optimization scheme that recovers the EOS of a given NS mass-radius curve. We demonstrate how our framework can reveal consistencies or tensions between nuclear physics and astrophysics. First, we show how the breakdown density of a metamodel description of the EOS can be determined from NS observations. Second, we demonstrate how degeneracies in EOS modeling using nuclear empirical parameters can influence the inverse problem during gradient-based optimization. Looking ahead, our approach opens up new theoretical studies of the relation between NS properties and the EOS, while effectively tackling the data analysis challenges brought by future detectors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Toward Resilient Heterogeneous Computing Workflow through Kokkos-DataSpaces Integration

With the growing number of applications designed for heterogeneous HPC devices, application programmers and users are finding it challenging to compose scalable workflows as ensembles of these applications, that are portable, performant and resilient. The Kokkos C++ library has been designed to simplify this cumbersome procedure by providing an intra-application uniform programming model and portable performance. However, assembling multiple Kokkos-enabled applications into a complex workflow is still a challenge. Although Kokkos enables a uniform programming model, the inter-application data exchange still remains a challenge from both performance and software development cost perspectives. In order to address this issue, we propose a Kokkos-DataSpaces Integration, with the goal of providing a virtual shared-space abstraction that can be accessed concurrently by all applications in an Kokkos workflow, thus extending Kokkos to support inter-application data exchange.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Initial CEED API (CEED-MS10)

Key components of CEED software development involve fast finite element operator storage and evaluation, architecture optimizations, performant algorithms for all orders, global kernels for finite element operators, efficient use of the memory sub-system, optimal data locality and motion, enhanced scalability and parallelism, and fast tensor contractions. As ultimate goals of the project, CEED is exploring and identifying the best algorithms for the full range of discretizations and applying algorithmic and software development to support ECP applications’ needs. In this milestone, we initiated the development and implementation of a common CEED API consisting of two main components: low-level and high-level APIs. We accomplished the goal of having the low-level component ready for the release of CEED v1.0 in the next quarter, see CEED-MS13. In this report we also provide a highlight from CEED’s integration with the MARBL app and the corresponding Laghos miniapp. A main theme in this work has been the systematic transition of advanced algorithms, developed and tested in Laghos, to the large-scale multi-physics settings of the MARBL code. The low-level CEED API provides a set of FE kernels and components for writing new low-level kernels. Examples include: vector and sparse linear algebra, element matrix assembly over a batch of elements, partial assembly and action for efficient high-order operators like mass, diffusion, advection, etc. The main goal of the low-level API is to establish the basis for the high-level API. Also, identifying such low-level kernels and providing a reference implementation for them serves as the basis for collaboration with vendors and STs. Another goal for the low-level API is to make it easy for applications with their own discretization infrastructure, who do not want to switch directly to using the high-level CEED API, to still evaluate and use the core operations provided by the low-level API. One of the challenges with high-order methods is that a global sparse matrix is no longer a good representation of a high-order linear operator, both with respect to the FLOPs needed for its evaluation, as well as the memory transfer needed for a matvec. Thus, another important question we tried to address while developing the low-level API is: is it possible to abstract out in a natural and efficient way the different implementations and data structures that arise when dealing with various computational device types: CPUs, GPUs, etc. Fully answering this question is beyond the scope of this particular milestone, since that requires longer time as we develop and expand the devices we support. The future high-level API will be the frontend provided by CEED consisting of high-level abstractions such as meshes, finite element spaces and solutions, bilinear forms, solvers, etc. At this high-level, an important aspect of the API will be to provide a uniform abstraction layer for writing code in a portable manner. To achieve that, we plan to utilize the MPI programming model combined with a device abstraction layer (DAL) for finite element computations that we will develop. The DAL will serve as the bridge between the low- and the high-level APIs, allowing a variety of programming models to be used for the low-level kernel implementations. The software artifacts delivered as part of this milestone include an initial CEED API software implementation (libCEED) provided through the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q1 of FY18, including: the Nek5000 v17.0 MFEM v3.3.2 and PETSc v3.8 releases, collaborations with ECP/ST and SciDAC projects, the inaugural Nek5000 hackathon and various outreach activities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

CANDELS Multi-wavelength Catalogs: Source Identification and Photometry in the CANDELS Extended Groth Strip

We present a 0.4–8 μm multi-wavelength photometric catalog in the Extended Groth Strip (EGS) field. This catalog is built on the Hubble Space Telescope (HST) WFC3 and ACS data from the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey (CANDELS), and it incorporates the existing HST data from the All-wavelength Extended Groth strip International Survey (AEGIS) and the 3D-HST program. The catalog is based on detections in the F160W band reaching a depth of F160W = 26.62 AB (90% completeness, point sources). It includes the photometry for 41,457 objects over an area of ≈206 arcmin{sup 2} in the following bands: HST/ACS F606W and F814W; HST WFC3 F125W, F140W, and F160W; Canada–France–Hawaii Telescope (CFHT)/Megacam u*, g{sup ′}, r{sup ′}, i{sup ′} and z{sup ′}; CFHT/WIRCAM J, H, and K {sub S}; Mayall/NEWFIRM J1, J2, J3, H1, H2, and K; Spitzer IRAC 3.6, 4.5, 5.8, and 8.0 μm. We are also releasing value-added catalogs that provide robust photometric redshifts and stellar mass measurements. The catalogs are publicly available through the CANDELS repository.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Performance Potential of Mixed Data Management Modes for Heterogeneous Memory Systems

Many high-performance systems now include different types of memory devices within the same compute platform to meet strict performance and cost constraints. Such heterogeneous memory systems often include an upper-level tier with better performance, but limited capacity, and lower-level tiers with higher capacity, but less bandwidth and longer latencies for reads and writes. To utilize the different memory layers efficiently, current systems rely on hardware-directed, memory -side caching or they provide facilities in the operating system (OS) that allow applications to make their own data-tier assignments. Since these data management options each come with their own set of trade-offs, many systems also include mixed data management configurations that allow applications to employ hardware- and software-directed management simultaneously, but for different portions of their address space. Despite the opportunity to address limitations of stand-alone data management options, such mixed management modes are under-utilized in practice, and have not been evaluated in prior studies of complex memory hardware. In this work, we develop custom program profiling, configurations, and policies to study the potential of mixed data management modes to outperform hardware- or software-based management schemes alone. Our experiments, conducted on an Intel ® Knights Landing platform with high-bandwidth memory, demonstrate that the mixed data management mode achieves the same or better performance than the best stand-alone option for five memory intensive benchmark applications (run separately and in isolation), resulting in an average speedup compared to the best stand-alone policy of over 10 %, on average.

Effler, Chad↗
DOE OSTI2016

Comparison of Surrogate Models with Physical Models for Dynamic Probabilistic Risk Analysis Using the RAVEN Code

Dynamic probabilistic risk analysis (DPRA) has emerged in the nuclear industry as an effective tool to identify points of weakness in nuclear reactors and create a comprehensive approach to quantifying risk. While DPRA allows for detailed analysis, it usually requires thousands of runs due to the necessity of exploring low probability, high consequence events, which can be computationally prohibitively difficult to assess. Risk Analysis Virtual Environment (RAVEN) is a software package being developed under the Nuclear Energy Advanced Modeling and Simulation program at the Idaho National Laboratory. It is able to manage complex control logic to drive a RELAP-7 simulation and to handle sampling strategies including Monte Carlo, Latin Hypercube, Grid and Adaptive samplers. By performing a thorough investigation of the possibility space of an accident scenario with RELAP-7, RAVEN is able to identify consequences of accident scenarios that have not been encountered. The most computational resource intensive step of a RAVEN analysis is running the RELAP-7 code modeling the physical system behavior. Using surrogate models to represent the outcomes of more complex simulations rather than the full model can greatly reduce the computation effort required. In situations where the uncertainty distributions of a model are unknown, or when there are multiple sets of uncertainty distributions, DPRA generally requires rerunning the physical model for each set of uncertainty distributions used. By taking an unbiased sample of the physical model and creating a surrogate model from the results, the surrogate model can be sampled under a different set of uncertainty distributions to provide equivalent results. This paper presents an example of this approach. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Wide Bandgap Generation (WBGen): Developing the Future Wide Bandgap Power Electronics Engineering Workforce

This Final Technical Report (FTR) summarizes the work conducted at the Center for Power Electronics Systems (CPES) under the Wide-Bandgap Generation (WBGen) fellowship and traineeship program established by the Advanced Manufacturing and Technologies Office (AMMTO) of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy (EERE) at Virginia Tech, which had as main objective to train the next generation of U.S. citizen power engineers with wide-bandgap (WBG) power semiconductor expertise, with the intent to aid in fulfilling the future workforce needs in this field. The latter was deemed of strategic importance given the fast-paced growth observed—and predicted—in the demand of this technical expertise, whose practitioners have become the enablers and executioners of the electrification transformation process that not just the U.S., but the whole world, is currently undergoing as it seeks for more effective and efficient ways to use energy. As such, the WBGen program set forth to achieve its educational goals, which in addition sought to broaden the range of WBG-based power electronics by conducting research and development on high-efficiency grid apparatus and high-efficiency electrical power systems, and to also enhance the power engineering curriculum by formalizing WBG-oriented design procedures replacing existent yet now obsolete design procedures developed for Silicon (Si) based power electronics. This effort led CPES to spearhead the development of a new major within The Bradley Electrical and Computer Engineering (ECE) Department at Virginia Tech, namely Electronic Power and Energy Systems (EPES), which coalesced power electronics and power systems courses to provide undergraduate students with a strong formation in the power engineering field, while creating a pipeline of graduate students that could pursue the WBG-based curriculum and conduct research at CPES. In all, in what is considered a true success, eight of the twenty WBGen fellows that graduated program were recruited from the ECE department undergraduate cohort. The traineeship emphasized as well, from its beginning, the partnership with industry and national laboratories, which took advantage of the successful industry consortium at CPES that has historically been formed by 80–90 power and energy companies working in close collaboration with the center. This gave WBGen fellows the accessibility and possibility to conduct internships at partner facilities during the summer months, focused solely on the evaluation, testing, and adoption of WBG devices, which were many times tightly related to their respective research work and plans. In addition, WBGen fellows conducted their main research work within the confines of research programs at CPES conducted with these industry partners, providing them with a unique opportunity to develop not just their technical expertise—while advancing their knowledge, but to also learn and practice a slew of skills needed for their professional growth. As such, the fellows tackled a variety of WBG-related research topics, from device reliability and capability aspects as well as packaging and integration, encompassing the use of advanced materials and new structures, current sharing challenges, and insulation systems, to advanced gate-drivers with integrated sensors and protection mechanisms and active current- and voltage-based control, to optimized layouts seeking to maximize the switching and power processing performance of these devices, to power processing solutions adopting Gallium-Nitride (GaN) and Silicon-Carbide (SiC) power semiconductors for a variety of applications; including radiation-hardened converters for space dc distribution systems, direct three-phase ac-to-ac power converters for aerospace systems, dc-ac inverters for automotive traction drives, high-frequency isolated dc-dc battery chargers also for heavy transportation systems, and medium-voltage dc-dc and dc-ac converters for distribution systems and future power grids. The WBGen program ultimately graduated a total of 20 power engineers, all experts on WBG-based power electronics, awarding 18 M.S. and 2 PhD degrees in the process. These fellows, all U.S. citizens, allowed CPES to increase the number of citizens students to 33 % at the peak of the program, as the traineeship made possible the recruitment of talent with more attractive graduate research assistantship (GRA) contracts. Unfortunately, the present U.S. citizen enrollment at CPES has declined back to historic levels—approximately 10 %, as the regular GRA rates are not competitive enough when compared with entry-level industry jobs. In all, WBGen fellows published a total of 7 peer-reviewed journal articles, 44 papers at international technical conferences, made 42 presentations at international technical conferences, and filed 4 invention disclosures and patent applications, which have since then been granted by the U.S. Patent and Trademark Office (USPTO). Their contribution to CPES, Virginia Tech, the United States, and the world, has been significant, and continues to yield results thanks to the exemplary career that the fellows have initiated at many of the partners of the program, which include Wolfspeed, Raytheon Technologies, Infineon, Lockheed Martin, Dominion Energy, Northrop Grumman, Rivian, Aerospace Corporation, Sandia National Laboratory, National Renewable Energy Laboratory, John Hopkins University, and Virginia Tech.

14 SOLAR ENERGY↗
DOE OSTI2020

Reversed Field Pinch Research in MST (Final Technical Report)

This is the Final Technical Report for the cooperative agreement DE-FC02-05ER54814 titled “Reversed Field Pinch Research in MST” spanning the funding period 4/1/2005 to 12/14/2019. It summarizes key results from MST research, major publications and presentations, and the mentoring of graduate students and postdocs. The Madison Symmetric Torus (MST) is unique within the U.S. and world fusion plasma program. As one of just five operating reversed field pinch (RFP) experiments, and the only one in the U.S., MST has had an important role in advancing the fundamental understanding of the RFP plasma configuration. The MST research program targets topics that intersect with all three goals. While MST provides a unique opportunity to advance the science and fusion potential of the RFP, as a cousin to the tokamak and stellarator plasma configurations the RFP is a valuable partner in establishing validated predictive capability for fusion science more generally. Specific combinations of the major variables in toroidal confinement, like magnetic field strength, plasma current, and shaping, define the different configurations. By exploring adjacent regions in this major variable parameter space, the RFP exposes dependencies not otherwise accessible in the tokamak and stellarator. This diversity enlarges the arena for scientific discovery, both for fusion and plasma physics. The basic science emphasis for MST research has been the self-organizing behavior of RFP plasmas. This inspired MST’s participation in the NSF Physics Frontier Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas (CMSO), which ran from 2004-2016 and motivated a substantial fraction of MST’s research goals and capabilities. By all measures the MST Program has been remarkably successful in publications, community engagement, and mentoring of young scientists. While the DOE-FES’s proof-of-principle program for the RFP now languishes through the cessation of this cooperative agreement, operation of MST continues as one of two devices included in the new Wisconsin Plasma Physics Laboratory (WiPPL) basic science user facility. The scope of present research for MST in WiPPL is narrowed to the basic science associated with the RFP magnetic configuration and the advancement of specific fusion topics, which now includes studies of disruptions in tokamak plasmas. The world’s effort in RFP fusion research continues, despite a lack of U.S. federal support to investigate the RFP configuration for fusion application, most notably through a major upgrade to the RFX-mod2 facility in Italy [1] and the recent construction of the KTX facility at USTC in China. First plasmas for RFX-mod2 are anticipated in 2021.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗