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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

OPTIMIZATION OF A NUCLEAR VESSEL OUTLET FOR INCIDENT MONITORING

Classical nuclear core fluidic design techniques require improvement to better align with modern technological innovations. The US Department of Energy’s Office of Nuclear Energy (DOE-NE) Transformational Challenge Reactor (TCR) program is deploying additive manufacturing and advanced modeling and simulation to reimagine these designs. With the aid of modern computing power, computerized design optimization can be implemented to remove unwanted pressure drop while simultaneously optimizing flow structures, resulting in new opportunities to enable advanced instrumentation and monitoring capabilities.Previous development of geometric specifications for the TCR pressure vessel’s outlet plenum used design optimization to (1) limit pressure losses below 3.5 kPa (~0.5 psi) and (2) create a fluidic plane in which the temperature variation would not exceed ±5°C. This significant limit of the allowable pressure drop stems from the overarching goal of the TCR program to apply cutting edge techniques and unconventional thinking to demonstrate potential opportunities in additive manufacturing (AM).This paper expands the previous work by optimizing thermowell locations for robust measurements by explicitly modeling them and the resulting flow impacts. Additionally, a single core coolant channel was chosen to represent an event that causes an increased bulk flow temperature increase of 100°C.High fidelity unsteady Reynolds-averaged Navier-Stokes (URANS) simulations of the conjugate heat transfer problem were run in Siemen’s Star-CCM+ for this study. Next, the bulk flow temperature of a single coolant channel was increased by 100°C and was allowed to converge again. Finally, statistical analysis using a sequential probability ratio test (SPRT) was used to determine the elapsed time the thermocouples took to discover the increased bulk flow temperature.

See, Nate↗
DOE OSTI2024

GLIMPSE of Future Power Grid Models

Power grid is one of the critical national infrastructures with social, economics, and national security impacts. Particularly, power distribution systems represent part of the infrastructure between power distribution substations and customers such as residential, commercial, and industrial. To address various grid modernization challenges, state-of-the-art algorithms and methodologies have been developed to deploy, operate, and expand a secure and resilient power grid. At the same time, there is a need to develop capabilities to assist power grid stakeholders to quickly get insight into the design and structure of the grid. Data visualization is a key approach to comprehend and understand complex systems such as the power grid. We present GLIMPSE Grid Layout Interface for Model Preview and System Exploration), a graph-based semantic-aware application to visualize and update distribution power grid models. The GLIMPSE can be used with standard IEEE models to search and highlight power grid objects such as generators, loads, overhead lines, etc. Additionally, it supports updating attributes and model export to integrate with GridLAB-D simulations.

Cybersecurity, power grid, visualization↗
DOE OSTI2022

Imaging the crust and uppermost mantle structure of Portugal (West Iberia) with seismic ambient noise

SUMMARY We present a new high-resolution 3-D shear wave velocity (Vs) model of the crust and uppermost mantle beneath Portugal, inferred from ambient seismic noise tomography. We use broad-band seismic data from a dense temporary deployment covering the entire Portuguese mainland between 2010 and 2012 in the scope of the WILAS project. Vertical component data are processed using phase correlation and phase weighted stack to obtain empirical Green functions (EGFs) for 2016 station pairs. Further, we use a random sampling and subset stacking strategy to measure robust Rayleigh-wave group velocities in the period range 7–30 s and associated uncertainties. The tomographic inversion is performed in two steps: First, we determine group-velocity lateral variations for each period. Next, we invert them at each grid point using a new trans-dimensional inversion scheme to obtain the 3-D shear wave velocity model. The final 3-D model extends from the upper crust (5 km) down to the uppermost mantle (60 km) and has a lateral resolution of ∼50 km. In the upper and middle crusts, the Vs anomaly pattern matches the tectonic units of the Variscan Massif and Alpine basins. The transition between the Lusitanian Basin and the Ossa Morena Zone is marked by a contrast between moderate- and high-velocity anomalies, in addition to two arched earthquake lineations. Some faults, namely, the Manteigas–Vilariça–Bragança fault and the Porto–Tomar–Ferreira do Alentejo fault, have a clear signature from the upper crust down to the uppermost mantle (60 km). Our 3-D shear wave velocity model offers new insights into the continuation of the main tectonic units at depth and contributes to better understanding the seismicity of Portugal.

Silveira, Graça (ORCID:0000000221102554)↗
DOE OSTI2023

A decay database of coincident γ–γ and γ–X -ray branching ratios for in-field spectroscopy applications

Current fieldable spectroscopy techniques often use single detector systems heavily impacted by interferences from intense background radiation fields. These effects result in low-confidence measurements that can lead to misinterpretation of the collected spectrum. To help improve interpretation of the fission products and short-lived radionuclides produced in a composite sample, a coincidence-database is being developed in support of a robust portable and X-ray coincidence detector system concurrently under development at the Pacific Northwest National Laboratory for in-field deployment. Hitherto, no database exists containing coincident γ–γ and γ–X-ray branching-ratio intensities on an absolute scale that will greatly enhance isotopic identification for in-field applications. As part of this project, software has been developed to parse all radioactive-decay data sets from the Evaluated Nuclear Structure Data File (ENSDF) archive to enable translation into a more useful JavaScript Object Notation (JSON) formats that more readily supports query-based data manipulation. The coincident database described in this work is the first of its kind and contains coincidence γ–γ and γ–X-ray intensities and their corresponding uncertainties, together with auxiliary metadata associated with each decay data set. The new JSON format provides a convenient and portable means of data storage that can be imported into analysis frameworks with relatively low overhead allowing for meaningful comparison with measured data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Exploring Cs 2 AgIn x Bi 1− x Cl 6 double perovskites for optoelectronics: insights from theoretical and photophysical approaches

Lead-free halide double perovskites (HDPs) have become attractive materials for optoelectronic applications owing to their nontoxicity, structural stability, and germane photoelectric properties. In this work, we report the synthesis of high-quality In-alloyed Cs 2 AgIn x Bi (1−x) Cl 6 nanocrystals (NCs) using the antisolvent recrystallization method and comprehensively investigate the effects of In alloying on the structural, morphological, optoelectronic, and temperature-dependent photoluminescence (TDPL) properties using the state-of-the-art experimental and computational tools. Both XRD and Raman spectroscopy analyses confirmed the synthesis of highly crystalline Cs 2 AgIn x Bi (1−x) Cl 6 materials, which exhibited cubic morphology, as confirmed by TEM analysis. Room-temperature photoluminescence (PL) measurements revealed a drastic increase in the intensity above 75% In concentration with dual emission, whereas the time-resolved PL (TR-PL) results show an increase in the average lifetime values with an increase in In content, suggesting that the materials have excellent optical properties and hence are suitable candidates for optoelectronics. The TDPL measurements revealed the smallest Huang–Rhys factor (18.6) for the Cs 2 AgIn x Bi (1−x) Cl 6 (x = 0.9) sample, indicating weak exciton–phonon coupling in this composition. When deployed in the fabrication of a photodetector device, the Cs 2 AgIn x Bi (1−x) Cl 6 (x = 0.9) sample exhibited significantly enhanced photoresponsivity and a faster response time, confirming its potential for photodetector applications. Complementary DFT calculations showed that In alloying modifies the band structure of Cs 2 AgIn x Bi (1−x) Cl 6 . Our results provide valuable insights for designing multifunctional Cs 2 AgIn x Bi (1−x) Cl 6 -based materials for next-generation energy and optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2020

Containers for Massive Ensemble of I/O Bound Hierarchical Coupled Simulations

We present our experience using containers to scale up a massive ensemble of coupled I/O bound workloads on the NERSC Cori supercomputer. We describe the design of a hierarchical simulation structure using the Integrated Plasma Simulator (IPS) that enables the flexible execution of coupled simulations at the system, node, and core level using the same coupling abstraction and API. The hierarchical design allows for the node-level execution to be efficiently executed using containers while not impacting the structure of the simulation at the system level. We demonstrate the viability of the approach by presenting experimental results from applications in coupled fusion plasma simulations that illustrate the performance impact of using containers to deploy the node-level workloads, in conjunction with the user mountable XFS file systems to ameliorate the load on the Lustre parallel file system. We also present results from production runs showing the ability of the ensemble simulations to scale to hundreds of Cori Haswell nodes, with little or no overhead.

Elwasif, Wael↗
DOE OSTI2023

Control Co-Design of Wind Turbines

Wind energy is recognized worldwide as cost-effective and environmentally friendly, and it is among the fastest-growing sources of electrical energy. To further decrease the cost of wind energy, wind turbines are being designed at ever-larger scales. To expand the deployment of wind energy, wind turbines are also being designed on floating platforms for placement in deep-water locations offshore. Both larger-scale and floating wind turbines pose challenges because of their greater structural loads and deflections. Complex, large-scale systems such as modern wind turbines increasingly require a control co-design approach, whereby the system design and control design are performed in a more integrated fashion. This article reviews recent developments in control co-design of wind turbines. We provide an overview of wind turbine design objectives and constraints, issues in the design of key wind turbine components, modeling of the wind turbine and environment, and controller coupling issues. Wind turbine control functions and the integration of control design in co-design are detailed with a focus on co-design compatible control approaches.

17 WIND ENERGY↗
DOE OSTI2024

Ultra-compact and efficient heat exchanger for solar desalination with unprecedented scaling resistance

The objective is to design, prototype, and test a heat exchanger technology with an efficiency improvement of more than 150% compared to state-of-the-art heat exchanger technology (UA/volume), with significantly improved fouling/scaling resistance at elevated temperatures (>120°C) when compared to existing technology where scaling is a major performance-limiting issue, as well as at lower operating-temperatures (~63-110°C). We now report our overall progress on the project. An ultra-compact, efficient heat exchanger geometry has been developed that can maximize surface-area-to-volume ratio so that proposed target (UA/volume). Advanced manufacturing techniques, such additive manufacturing, have made it possible to create complex structures cost effectively. In addition to traditional manufacturing methods, additive manufacturing has been successfully used for the development of high-performance geometries. These methods allow the ability to create custom surface textures, which are deployed to dramatically control wettability and create energy-gradient surfaces. These techniques allow fouling/scaling nucleation to be spatially controlled, such that as the fouling layer grows it will be broken and removed by flow forces.

42 ENGINEERING↗
DOE OSTI2025

Advanced System Thermal Fluids Solver Development for SAM

This work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key is the implementation of a high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. Leveraging the existing capabilities of the SAM code, significant code coverages were established in the finite volume method code. This in turn allows for a suite of test problems with different problem sizes and levels of complexity to be used to quantify the performance improvement of the finite volume method code. As evidently shown in this study, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE for the wide range of selected problems. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. In addition, for a complex reactor model, transient simulation was performed using the finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development. In this work, short-term priority development and testing items were identified, and long-term code adoption and integration plans were made for the eventual deployment of the finite volume method in the SAM code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Towards Acceptance Testing at the Exascale Frontier

At the 2007 Cray User Group meeting, the Oak Ridge Leadership Computing Facility (OLCF) introduced the OLCF Test Harness (OTH), a framework[1] used for acceptance testing of the Jaguar supercomputer[2]. Since then, the OTH framework has evolved to version 2.0 which adds new features and streamlines usability. The OTH is the key piece of software used to orchestrate acceptance testing for all OLCF computational resources before they are deployed for production use, including our leadership class high performance computing (HPC) systems. The OTH framework is written in Python and is publicly available[3].In this paper, we first describe the requirements, design, and structure of the OTH. Then, we present specific improvements developed to support acceptance testing of the OLCF’s Summit system[4]. We will also showcase new OTH features that have been added to streamline the acceptance test process as well as the motivation behind those changes. As part of this work, we also evaluated different workflow tools in order to determine whether these tools could complement the OTH in two key areas: automation and reporting. The advantages and disadvantages identified with each tool will be discussed. Lastly, we summarize the challenges and lessons learned collected from using the OTH for the acceptance of the last three flagship systems at the OLCF. These may be useful for other HPC centers developing their own testing frameworks or those interested in using the OTH.

Melesse Vergara, Veronica↗
DOE OSTI2022

Minimizing Ecological Impacts of Marine Energy Lighting

Marine energy is poised to become an important renewable energy contributor for the U.S., but widespread deployment of the technology hinges on its benefits outweighing the potential ecological impacts. One stressor marine energy installations introduce is light, which is known to cause varying responses among wildlife and has not yet been addressed as an environmental concern. This review discusses requirements and regulations for similar structures and how lighting design choices can be made to meet these requirements while minimizing environmental consequences. More practical guidance on implementing lighting for marine energy is needed, as well as updated guidelines to reflect technological and research advances. Known responses of wildlife to light are introduced in addition to how the responses of individuals may lead to ecosystem-level changes. The impact of light associated with marine energy installations can be reduced by following basic guidance provided herein, such as removing excess lighting, using lights with high directionality, and employing controls to reduce light levels. Continued research on animal responses to light, such as findings on minimum light levels for animal responses, alongside the development of highly-sensitivity spectral characterization capabilities can further inform lighting guidelines for deploying future open ocean marine energy devices.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Peer-to-Peer Energy Systems for Connected Communities: A Review of Recent Advances and Emerging Challenges

After a century of relative stability of the electricity industry, extensive deployment of distributed energy resources and recent advances in computation and communication technologies have changed the nature of how we consume, trade, and apply energy. The power system is facing a transition from its traditional hierarchical structure to a more deregulated model by introducing new energy distribution models such as peer-to- peer (P2P) sharing for connected communities. The proven effectiveness of P2P sharing in benefiting both prosumers and the grid has been demonstrated in many studies and pilot projects. However, there is still no extensive implementation of such sharing models in today’s electricity markets. This paper aims to shed some light on this gap through a comprehensive overview of recent advances in the P2P energy system and an insightful discussion of the challenges that need to be addressed in order to establish P2P sharing as a viable energy management option in today’s electricity market. To this end, in this article, we provide some background on different aspects of P2P sharing. Then, we discuss advances in P2P sharing through a systematic domain-based classification. We also review different pilot projects on P2P sharing across the globe. Finally, we identify and discuss a number of challenges that need to be addressed for scaling up P2P sharing in the electricity market followed by concluding remarks at the end of the paper.

Tushar, Wayes↗
DOE OSTI2020

Modular performance prediction for scientific workflows using Machine Learning

Scientific workflows provide an opportunity for declarative computational experiment design in an intuitive and efficient way. A distributed workflow is typically executed on a variety of resources, and it uses a variety of computational algorithms or tools to achieve the desired outcomes. Such a variety imposes additional complexity in scheduling these workflows on large scale computers. As computation becomes more distributed, insights into expected workload that a workflow presents become critical for effective resource allocation. In this paper, we present a modular framework that leverages Machine Learning for creating precise performance predictions of a workflow. The central idea is to partition a workflow in such a way that makes the task of forecasting each atomic unit manageable and gives us a way to combine the individual predictions efficiently. We recognize a combination of an executable and a specific physical resource as a single module. This gives us a handle to characterize workload and machine power as a single unit of prediction. Overall, our modular technique of creating atomic modules and deployment of longest-path approach to estimate workflow performance, allows the framework to adapt to highly complex nested directed acyclic workflows and scale to new scenarios, since it does not make assumptions of underlying workflow structure. We present performance estimation results of independent workflow modules executed on the XSEDE SDSC Comet cluster using various Machine Learning algorithms. The results provide insights into the behavior and effectiveness of different algorithms in the context of scientific workflow performance prediction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Observation of Skewed Electromagnetic Wakefields in an Asymmetric Structure Driven by Flat Electron Bunches

Relativistic charged -particle beams that generate intense longitudinal fields in accelerating structures also inherently couple to transverse modes. The effects of this coupling may lead to beam breakup instability and thus must be countered to preserve beam quality in applications such as linear colliders. Beams with highly asymmetric transverse sizes (flat beams) have been shown to suppress the initial instability in slab -symmetric structures. However, as the coupling to transverse modes remains, this solution serves only to delay instability. In order to understand the hazards of transverse coupling in such a case, we describe here an experiment characterizing the transverse effects on a flat beam, traversing near a planar dielectric lined structure. Further, the measurements reveal the emergence of a previously unobserved skew-quadrupolelike interaction when the beam is canted transversely, which is not present when the flat beam travels parallel to the dielectric surface. We deploy a multipole field fitting algorithm to reconstruct the projected transverse wakefields from the data. We generate the effective kick vector map using a simple two -particle theoretical model, with particle -in -cell simulations used to provide further insight for realistic particle distributions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Bioenergy cropping systems shape ant community composition and functional roles

The adoption of biomass crops grown for energy is a likely source of major landscape change in coming decades during the transition from fossil fuels. There are a wide range of cropping systems that have not been widely deployed yet but could become commonplace, and our knowledge of their ecological attributes and biodiversity impacts is limited. Ants are prominent and functionally important components of grassland and agricultural ecosystems. Given their outsized influences on ecosystem structure and function, we sought to understand how ant communities are likely to be shaped by a range of bioenergy cropping systems. We characterized ant communities in a long-term experimental array in Michigan, USA containing ten dedicated bioenergy crops including annual monocultures, simple monoculture or near-monoculture perennial grasses, and complex polyculture systems. Community composition differed strongly among cropping systems, and ants were more abundant, species-rich, and functionally diverse in complex systems than in simpler systems, particularly annual crops. Our results illustrate the divergent effects that bioenergy crop adoption could have for ant communities and the important functions they carry out in agroecosystems.

Haan, Nathan L.↗
DOE OSTI2022

Neutrino Properties with Ground-based Millimeter-wavelength Line Intensity Mapping

Line intensity mapping (LIM) is emerging as a powerful technique to map the cosmic large-scale structure and to probe cosmology over a wide range of redshifts and spatial scales. We perform Fisher forecasts to determine the optimal design of wide-field ground-based millimeter-wavelength LIM surveys for constraining properties of neutrinos and light relics. We consider measuring the auto-power spectra of several CO rotational lines (from J = 2–1 to J = 6–5) and the [C II ] fine-structure line in the redshift range of 0.25 < z < 12. We study the constraints with and without interloper lines as a source of noise in our analysis, and for several one-parameter and multiparameter extensions of ΛCDM. We show that LIM surveys deployable this decade, in combination with existing cosmic microwave background (CMB; primary) data, could achieve order-of-magnitude improvements over Planck constraints on N eff and M ν . Compared to next-generation CMB and galaxy surveys, a LIM experiment of this scale could achieve bounds that are a factor of ~3 better than those forecasted for surveys such as EUCLID (galaxy clustering), and potentially exceed the constraining power of CMB-S4 by a factor of ~1.5 and ~3 for N eff and M ν , respectively. Finally, we show that the forecasted constraints are not substantially affected when enlarging the parameter space, and additionally demonstrate that such a survey could also be used to measure ΛCDM parameters and the dark energy equation of state exquisitely well.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Engineering Nanostructured Interfaces of Hexagonal Boron Nitride-Based Materials for Enhanced Catalysis

Hexagonal boron nitrides (h-BNs) are attractive two-dimensional (2D) nanomaterials that consist of alternating B and N atoms and layered honeycomb-like structures similar to graphene. They have exhibited unique properties and promising application potentials in the field of energy storage and transformation. Recent advances in utilizing h-BN as a metal-free catalyst in the oxidative dehydrogenation of propane have triggered broad interests in exploring h-BN in catalysis. However, h-BN-based materials as robust nanocatalysts in heterogeneous catalysis are still underexplored because of the limited methodologies capable of affording h-BN with controllable crystallinity, abundant porosity, high purity, and defect engineering, which played important roles in tuning their catalytic performance. Here, in this account, our recent progress in addressing the above issues will be highlighted, including the synthesis of high-quality h-BN-based nanomaterials via both bottom-up and top-down pathways and their catalytic utilization as metal-free catalysts or as supports to tune the interfacial electronic properties on the metal nanoparticles (NPs). First, we will focus on the large-scale fabrication of h-BN nanosheets (h-BNNSs) with high crystallinity, improved surface area, satisfactory purity, and tunable defects. h-BN derived from the traditional approaches using boron trioxide and urea as the starting materials generally contains carbon/oxygen impurities and has low crystallinity. Several new strategies were developed to address the issues. Using bulk h-BN as the precursor via gas exfoliation in liquid nitrogen, single- or few-layered h-BNNS with abundant defects could be generated. Amorphous h-BN precursors could be converted to h-BN nanosheets with high crystallinity assisted by a magnesium metallic flux via a successive dissolution/precipitation/crystallization procedure. The as-fabricated h-BNNS featured high crystallinity and purity as well as abundant porosity. An ionothermal metathesis procedure was developed using inorganic molten salts (NaNH 2 and NaBH 4 ) as the precursors. The h-BN scaffolds could be produced on a large scale with high yield, and the as-afforded materials possessed high purity and crystallinity. Second, utilization of the as-prepared h-BN library as metal-free catalysts in dehydrogenation and hydrogenation reactions will be summarized, in which they exhibited enhanced catalytic activity over the counterparts from the previous synthesis method. Third, the interface modulation between metal NPs with the as-prepared defects’ abundant h-BN support will be highlighted. The h-BN-based strong metal–support interaction (SMSI) nanocatalysts were constructed without involving reducible metal oxides via the ionothermal procedure we developed by deploying specific inorganic metal salts, acting as robust nanocatalysts in CO oxidation. Under conditions simulated for practical exhaust systems, promising catalytic efficiency together with high thermal stability and sintering resistance was achieved. Across all of these examples, unique insights into structures, defects, and interfaces that emerge from in-depth characterization through microscopy, spectroscopy, and diffraction will be highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Aerosol‐Jet‐Printable Covalent Organic Framework Colloidal Inks and Temperature‐Sensitive Nanocomposite Films

Abstract With molecularly well‐defined and tailorable 2D structures, covalent organic frameworks (COFs) have emerged as leading material candidates for chemical sensing, storage, separation, and catalysis. In these contexts, the ability to directly and deterministically print COFs into arbitrary geometries will enable rapid optimization and deployment. However, previous attempts to print COFs have been restricted by low spatial resolution and/or post‐deposition polymerization that limits the range of compatible COFs. Here, these limitations are overcome with a pre‐synthesized, solution‐processable colloidal ink that enables aerosol jet printing of COFs with micron‐scale resolution. The ink formulation utilizes the low‐volatility solvent benzonitrile, which is critical to obtaining homogeneous printed COF film morphologies. This ink formulation is also compatible with other colloidal nanomaterials, thus facilitating the integration of COFs into printable nanocomposite films. As a proof‐of‐concept, boronate‐ester COFs are integrated with carbon nanotubes (CNTs) to form printable COF‐CNT nanocomposite films, in which the CNTs enhance charge transport and temperature sensing performance, ultimately resulting in high‐sensitivity temperature sensors that show electrical conductivity variation by 4 orders of magnitude between room temperature and 300 °C. Overall, this work establishes a flexible platform for COF additive manufacturing that will accelerate the incorporation of COFs into technologically significant applications.

2D materials↗