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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 433 records · Page 24

Machine learning-based optimization of air-cooled heat sinks

Machine learning-based models using Artificial Neural Network (ANN) and greedy search algorithm are used to optimize air-cooled parallel plate-finned heat sinks (PPFHSs) subjected to laminar flow over an extensive range of design parameters. Here, the thermal and hydraulic performances of PPFHSs are represented by heat transfer coefficient (h) and pressure drop (ΔP), respectively. Optimization objectives for PPFHS designs can vary from industry to industry depending on their design priorities. The present study proposes a novel and generalized optimization method that defines practical optimization objectives and provides an accurate optimization process to design effective PPFHSs for a wide range of industrial applications with different design requirements. Three optimization objectives are presented in this study: (i) the largest h PΔ, (ii) the largest h within a specified maximum allowed flow rate, and (iii) the lowest weight that maximizes h for operation within the maximum allowed flow rate. While the shortcoming of the first objective is demonstrated, the other two objectives are found to be suitable for designing effective heat sinks (HSs) across different applications. Results suggest a promising trend from the third objective to develop HSs with ~ 37-68% lower weight, 80-85% reduced ΔP, and negligible penalty in h compared with optimized HSs obtained from the second objective. However, since the third objective leads to HSs with thinner fins, structural analysis should be performed to ensure reliable operation of the HSs.

42 ENGINEERING↗

Municipal solid waste generation in municipalities: Quantifying impacts of household structure, commercial waste and domestic fuel

Waste management planning requires reliable data concerning waste generation, influencing factors on waste generation and forecasts of waste quantities based on facts. This paper aims at identifying and quantifying differences between different municipalities' municipal solid waste (MSW) collection quantities based on data from waste management and on socio-economic indicators. A large set of 116 indicators from 542 municipalities in the Province of Styria was investigated. The resulting regression model included municipal tax revenue per capita, household size and the percentage of buildings with solid fuel heating systems. The model explains 74.3% of the MSW variation and the model assumptions are met. Other factors such as tourism, home composting or age distribution of the population did not significantly improve the model. According to the model, 21% of MSW collected in Styria was commercial waste and 18% of the generated MSW was burned in domestic heating systems. While the percentage of commercial waste is consistent with literature data, practically no literature data are available for the quantity of MSW burned, which seems to be overestimated by the model. The resulting regression model was used as basis for a waste prognosis model (Beigl and Lebersorger, in preparation).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Size-effects in indium gallium arsenide nanowire field-effect transistors

We fabricate and analyze InGaAs nanowire MOSFETs with channel widths down to 18 nm. Low-temperature measurements reveal quantized conductance due to subband splitting, a characteristic of 1D systems. We relate these features to device performance at room-temperature. In particular, the threshold voltage versus nanowire width is explained by direct observation of quantization of the first sub-band, i.e., band gap widening. An analytical effective mass quantum well model is able to describe the observed band structure. The results reveal a compromise between reliability, i.e., V{sub T} variability, and on-current, through the mean free path, in the choice of the channel material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Residual stress determination in oxide layers at different length scales combining Raman spectroscopy and X-ray diffraction: Application to chromia-forming metallic alloys

In oxidizing environments, the protection of metals and alloys against further oxidation at high temperature is provided by the oxide film itself. This protection is efficient only if the formed film adheres well to the metal (substrate), i.e., without microcracks and spalls induced by thermomechanical stresses. In this study, the residual stresses at both macroscopic and microscopic scales in the oxide film adhering to the substrate and over the damaged areas have been rigorously determined on the same samples for both techniques. Ni-30Cr and Fe-47Cr alloys have been oxidized together at 900 and 1000 °C, respectively, to create films with a thickness of a few microns. A multi-scale approach was adopted: macroscopic stress was determined by conventional X-ray diffraction and Raman spectroscopy, while microscopic residual stress mappings were performed over different types of bucklings using Raman micro-spectroscopy and synchrotron micro-diffraction. A very good agreement is found at macro- and microscales between the residual stress values obtained with both techniques, giving confidence on the reliability of the measurements. In addition, relevant structural information at the interface between the metallic substrate and the oxide layer was collected by micro-diffraction, a non-destructive technique that allows mapping through the oxide layer, and both the grain size and the crystallographic orientation of the supporting polycrystalline metal located either under a buckling or not were measured.

36 MATERIALS SCIENCE↗

Electric current paths in a Si:P delta-doped device imaged by nitrogen-vacancy diamond magnetic microscopy

The recently-developed ability to control phosphorous-doping of silicon at an atomic level using scanning tunneling microscopy, a technique known as atomic precision advanced manufacturing (APAM), has allowed us to tailor electronic devices with atomic precision, and thus has emerged as a way to explore new possibilities in Si electronics. In these applications, critical questions include where current flow is actually occurring in or near APAM structures as well as whether leakage currents are present. In general, detection and mapping of current flow in APAM structures are valuable diagnostic tools to obtain reliable devices in digital-enhanced applications. In this report, we used nitrogen-vacancy (NV) centers in diamond for wide-field magnetic imaging (with a few-mm field of view and micron-scale resolution) of magnetic fields from surface currents flowing in an APAM test device made of a P delta-doped layer on a Si substrate, a standard APAM witness material. We integrated a diamond having a surface NV ensemble with the device (patterned in two parallel mm-sized ribbons), then mapped the magnetic field from the DC current injected in the APAM device in a home-built NV wide-field microscope. The 2D magnetic field maps were used to reconstruct the surface current densities, allowing us to obtain information on current paths, device failures such as choke points where current flow is impeded, and current leakages outside the APAM-defined P-doped regions. Analysis on the current density reconstructed map showed a projected sensitivity of ~0.03 A m -1 , corresponding to a smallest-detectable current in the 200 μm wide APAM ribbon of ~6 μA. These results demonstrate the failure analysis capability of NV wide-field magnetometry for APAM materials, opening the possibility to investigate other cutting-edge microelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Neutrino constraints: what large-scale structure and CMB data are telling us?

We discuss the reliability of neutrino mass constraints, either active or sterile, from the combination of different low redshift Universe probes with measurements of CMB anisotropies. In our analyses we consider WMAP 9-year or Planck Cosmic Microwave Background (CMB) data in combination with Baryonic Acoustic Oscillations (BAO) measurements from BOSS DR11, galaxy shear measurements from CFHTLenS, SDSS Ly α forest constraints and galaxy cluster mass function from Chandra observations. At odds with recent similar studies, to avoid model dependence of the constraints we perform a full likelihood analysis for all the datasets employed. As for the cluster data analysis we rely on to the most recent calibration of massive neutrino effects in the halo mass function and we explore the impact of the uncertainty in the mass bias and re-calibration of the halo mass function due to baryonic feedback processes on cosmological parameters. We find that none of the low redshift probes alone provide evidence for massive neutrino in combination with CMB measurements, while a larger than 2σ detection of non zero neutrino mass, either active or sterile, is achieved combining cluster or shear data with CMB and BAO measurements. Yet, the significance of the detection exceeds 3σ if we combine all four datasets. For a three active neutrino scenario, from the joint analysis of CMB, BAO, shear and cluster data including the uncertainty in the mass bias we obtain ∑ m{sub ν} =0.29{sup +0.18}{sub -0.21} eV and ∑ m{sub ν} =0.22{sup +0.17}{sub -0.18} eV 95%CL) using WMAP9 or Planck as CMB dataset, respectively. The preference for massive neutrino is even larger in the sterile neutrino scenario, for which we get m{sub s}{sup eff}=0.44{sup +0.28}{sub -0.26} eV and Δ N{sub eff}=0.78{sup +0.60}{sub -0.59} 95%CL) from the joint analysis of Planck, BAO, shear and cluster datasets. For this data combination the vanilla ΛCDM model is rejected at more than 3σ and a sterile neutrino mass as motivated by accelerator anomaly is within the 2σ errors. Conversely, the Ly α data favour vanishing neutrino masses and from the data combination Planck+BAO+Ly α we get the tight upper limits ∑ m{sub ν} <0.14 eV and m{sub s}{sup eff}<0.22 eV—Δ N{sub eff}<1.11 95%CL) for the active and sterile neutrino model, respectively. Finally, results from the full data combination reflect the tension between the σ{sub 8} constraints obtained from cluster and shear data and that inferred from Ly α forest measurements; in the active neutrino scenario for both CMB datasets employed, the full data combination yields only an upper limits on ∑ m{sub ν}, while assuming an extra sterile neutrino we still get preference for non-vanishing mass, m{sub s}{sup eff}=0.26{sup +0.22}{sub -0.24} eV, and dark contribution to the radiation content, Δ N{sub eff}=0.82±0.55.

79 ASTRONOMY AND ASTROPHYSICS↗

Structural insights into NusG regulating transcription elongation

NusG is an essential transcription factor that plays multiple key regulatory roles in transcription elongation, termination and coupling translation and transcription. The core role of NusG is to enhance transcription elongation and RNA polymerase processivity. Here, we present the structure of Escherichia coli RNA polymerase complexed with NusG. The structure shows that the NusG N-terminal domain (NGN) binds at the central cleft of RNA polymerase surrounded by the β' clamp helices, the β protrusion, and the β lobe domains to close the promoter DNA binding channel and constrain the β' clamp domain, but with an orientation that is different from the one observed in the archaeal β' clamp–Spt4/5 complex. The structure also allows us to construct a reliable model of the complete NusG-associated transcription elongation complex, suggesting that the NGN domain binds at the upstream fork junction of the transcription elongation complex, similar to σ2 in the transcription initiation complex, to stabilize the junction, and therefore enhances transcription processivity.

59 BASIC BIOLOGICAL SCIENCES↗

Latent Pitfalls in Microstructure-Based Modeling for Thermally Aged 9Cr-1Mo-V Steel (Grade 91)

A case study was conducted on a mechanistic model development that predicted tensile strength deterioration with thermal aging of 9Cr-1Mo-V steel in supporting the 60-year design life expected for advanced nuclear reactors. For property prediction beyond practical testing times, mechanistic modeling is highly desired, as it taps into the physics of structure–property relationships and therefore can generate reliable results for extrapolation. Meanwhile, as mechanistic models are often complicated, reflecting the intricacy of microstructure and strengthening mechanisms, pitfalls that are difficult to detect often exist. Here, this paper discusses latent pitfalls that are common in mechanistic modeling or specific in this 9Cr-1Mo-V case development through using the American Society of Mechanical Engineers verification and validation in computational solid mechanics (ASME V&V 10) standard for evaluating credibility of modeling in materials engineering. Suggestions are also made for enhancing reliability of microstructure-based modeling.

36 MATERIALS SCIENCE↗

Study of magnetic metal periodic structures by X-Ray and electron microscopy methods

Complex studies of magnetic periodic metallic systems based on Dy/Gd layers have been carried out by X-ray diffraction, resonance X-ray reflectometry, transmission electronic microscopy, and energydispersve microanalysis. The application of these methods and joint analysis of their results provide an effective approach to study of the structure and determination of the parameters of individual layers and interfaces and their structural quality with a high degree of reliability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hydrogen Embrittlement of Pipeline Steels: Causes and Remediation

Fundamental studies of hydrogen embrittlement of materials using both experimental observations and numerical simulations of the hydrogen/deformation interactions have been conducted. Our approach integrates mechanical property testing at the macro-scale, microstructural analyses and TEM observations of the deformation processes at the micro- and nano-scale, first-principles calculations of interfacial cohesion at the atomic scale, and finite element simulation and modeling at the micro- and macro-level. Focused Ion Beam machining in conjunction with Transmission Electron Microscopy were used to identify the salient micro-mechanisms of failure in the presence of hydrogen. Our analysis of low strength ferritic steels led to the discovery that “quasi-cleavage” is a dislocation plasticity controlled failure mode in agreement with the hydrogen enhanced plasticity mechanism. The microstructure underneath the fracture surface of 304 and 316 stainless steels was found to be significantly more complex than would have been predicted by the traditional models of fatigue. The general refinement of the microstructure that occurred near the fracture surface in the presence of hydrogen was such that one may argue that hydrogen stabilizes microstructural configurations to an extent not achievable in its absence. Finite element studies of hydrogen and deformation field similitude for cracks in real-life pipelines and laboratory fracture specimens yielded that the Single Edge Notch Tension specimen can be used to reliably study hydrogen material compatibility for pipeline structures. In addition, simulation of onset of crack propagation in low strength ferritic systems by void growth indicated that hydrogen can reduce the fracture toughness of the material by as much as 30%. Both experimental observations and numerical studies of hydrogen transport on hydrogen accumulations ahead of a crack tip yielded that dislocation transport can markedly enhance hydrogen populations which in turn can trigger fracture initiation.

08 HYDROGEN↗

Final Report: Super Instruction Architecture for Scalable Parallel Computations

The most advanced methods for reliable and accurate computation of the electronic structure of molecular and nano systems are the coupled-cluster techniques. These high-accuracy methods help us to understand, for example, how biological enzymes operate and contribute to the design of new organic explosives. The ACES III software provides a modern, high-performance implementation of these methods optimized for high performance parallel computer systems, ranging from small clusters typical in individual research groups, through larger clusters available in campus and regional computer centers, all the way to high-end petascale systems at national labs, including exploiting GPUs if available. This project enhanced the ACESIII software package and used it to study interesting scientific problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SECA Coal-Based Systems - LGFCS

LGFCS is developing an integrated planar (IP) SOFC technology for mega-watt scale power generation including the potential for use in highly efficient, economically competitive central generation power plant facilities fuel by coal synthesis gas. This Department of Energy Solid-State Energy Conversion Alliance (SECA) program has been aimed at achieving further cell and stack technical advancements and assessing the readiness of the LGFCS SOFC stack technology to be scaled to larger-scale demonstrations as a path to commercialization. Significant progress was achieved in reducing to practice a higher performance and lower cost cell technology, identifying and overcoming degradation mechanisms, confirming the structural capability of the porous substrate for reliability, maturing the strip design for improved flow to allow high fuel utilization operation while minimizing degradation mechanisms and obtaining full scale block testing at 19 kW under representative conditions for eventual product and meeting SECA degradation metrics. The SECA program has played a key role within the overall LGFCS development program in setting the foundation of the technology to justify the progression of the technology to the next level of technology readiness testing.

Goettler, Richard↗

A Group Contribution Method for Estimating Cetane and Octane Numbers

Much of the research on advanced biofuels is devoted to the study of novel chemical pathways for converting nonfood biomass into liquid fuels that can be blended with existing transportation fuels. Many compounds under consideration are not found in the existing fuel supplies. Often, the physical properties needed to assess the viability of a potential biofuel are not available. The only reliable information available may be the molecular structure. Group contribution methods for estimating physical properties from molecular structure have been used for more than 60 years. The most common application is estimation of thermodynamic properties. More recently, group contribution methods have been developed for estimating rate dependent properties including cetane and octane numbers. Often, published group contribution methods are limited in terms of types of function groups and range of applicability. In this study, a new, broadly-applicable group contribution method based on an artificial neural network was developed to estimate cetane number research octane number, and motor octane numbers of hydrocarbons and oxygenated hydrocarbons. The new method is more accurate over a greater range molecular weights and structural complexity than existing group contribution methods for estimating cetane and octane numbers.

09 BIOMASS FUELS↗

Residual Stress Developed During the Cure of Thermosetting Polymers: Optimizing Cure Schedule to Minimize Stress

When thermosetting polymers are used to bond or encapsulate electrical, mechanical or optical assemblies, residual stress, which often affects the performance and/or reliability of these devices, develops within the structure. The Thin-Disk-on-Cylinder structural response test is demonstrated as a powerful tool to design epoxy encapsulant cure schedules to reduce residual stress, even when all the details of the material evolution during cure are not explicitly known. The test's ability to (1) distinguish between cohesive and adhesive failure modes and (2) demonstrate methodologies to eliminate failure and reduce residual stress, make choices of cure schedules that optimize stress in the encapsulant unambiguous. For the 828/DEA/GMB material in the Thin-Disk-on-Cylinder geometry, the stress associated with cure is significant and outweighs that associated with cool down from the final cure temperature to room temperature (for measured lid strain, Iε cure I > Iε thermal I). The difference between the final cure temperature and the temperature at which the material gels, T f - T gel , was demonstrated to be a primary factor in determining the residual stress associated with cure. Increasing T f - T gel leads to a reduction in cure stress that is described as being associated with balancing some of the 828/DEA/GMB cure shrinkage with thermal expansion. The ability to tune residual stress associated with cure by controlling T f - T gel would be anticipated to translate to other thermosetting encapsulation materials, but the times and temperatures appropriate for a given material may vary widely.

36 MATERIALS SCIENCE↗

Abstract for CRADA between the National Energy Technology Laboratory and General Motors (AGMT-0876)

Lightweight aluminum shape castings have widespread applications for structural components in the automotive, aerospace, and general engineering industries because of their excellent castability, corrosion resistance, and particularly high strength-to-weight ratio in the heat-treated condition. In the automotive industry, cast aluminum alloys have been increasingly used to replace cast iron and steel in vehicle applications such as engine blocks, cylinder heads, intake manifolds, brackets, housings, chassis, transmission parts, and suspension systems to reduce mass. As many of the aluminum shape castings used in automobiles involve cyclic loading, fatigue properties of the castings are critical to their success. The increasing use of lightweight aluminum cast components in critical structures thus requires improved integrity, with more reliable and quantifiable performance. The objective of this project is to demonstrate and further develop GM’s patent-pending, novel casting process, “Pressure-Assistant Precision Sand Casting (PAPSC) for producing flawless cast aluminum cylinder heads with minimum manufacturing and energy costs”. The approach is to leverage NETL’s experience in producing high-quality metal castings through various microstructure control and defect elimination technologies as well as comprehensive quantification of microstructure characteristics and mechanical properties. A baseline (production) alloy together with the melt treatment will be initially evaluated with the new PAPSC process to develop and validate the process window for producing flawless cast aluminum heads.

36 MATERIALS SCIENCE↗

Application of Electrochemical Methods to Molten Salt Reactors: Draft TLR Documenting Assessment of Electrochemical Monitoring

Nuclear Regulatory Commission (NRC) is developing the regulatory framework and technical expertise to support regulatory review of advanced non-water reactors, including molten salt reactors (MSRs). In an MSR, it is essential that the salt chemistry be maintained in a desired range in terms of redox potential for reliable operation and mitigation of corrosion to structural materials in the reactor, particularly the reactor vessel and heater exchanger. Measuring the redox potential of the salt in the reactor would also allow for the material lifetimes to be predicted more accurately, and chemical issues to be diagnosed more quickly. In addition to the chemical composition analysis by ICP-MS, electrochemical methods including potentiometry and linear wave scanning (LSC) were also used in molten salt reactor experiment (MSRE) for redox potential monitoring purposes. Electrochemcial methods offers unique advantages such as quick turnaround in results and unique capability of in-line monitoring of redox potential, and are considered popular electroanalytical techniques that can be used to monitor redox potentials and salt chemistry including impurities. The last two decades have seen significant advances in science and engineering of electrochemical methods for potential application to molten salts. The primary goal of this report is to assist NRC in understanding the monitoring of the salt chemistry by electrochemical methods and provide NRC reviewers with necessary information and tools to support regulatory review of MSR designs. This reports consists of two majors parts—Part 1, chemical potential of molten salts and effects by fission process in MSR; Part 2, assessment of electrochemical methods for application to MSRs. The TRLs of the typical relevant electrochemical methods for molten salts were evaluated based on the DOE TRL guidelines and upon a review of the current status of the electrochemical methods for two typical salt systems, fluoride and chloride, for MSRs.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Deployable UHV Pump

This project presents an external motorized actuation system for a deployable ultra-high vacuum (UHV) pump, enabling internal motion without compromising vacuum conditions. All active components remain external due to environmental and space constraints. A motor-driven mechanical feedthrough transfers motion into the pump, supported by a modular, adjustable mounting system that maintains alignment and integrates with existing hardware. CAD modeling and iterative design were used to refine geometry and ensure proper fit. The final design reliably transfers motion while maintaining alignment and structural integrity. Its adjustability improves installation and maintenance, demonstrating a practical solution for actuation in UHV systems.

Remington, Austin [Northern Illinois U.]↗

Comparison of Reg. Guide 1.99 fluence attenuation methods

U.S. Regulatory Guide 1.99 Revision 2 (U.S. Nuclear Regulatory Commission, 1988, 'Radiation Embrittlement of Reactor Vessel Materials,' Regulatory Guide 1.99, Revision 2, Washington, D.C.) provides for the use of two substantially different methods for determining through-wall fluence in nuclear reactor pressure vessels. One method is a generic attenuation curve based on a simplistic exponential decay equation. Partly due to the simplicity of its application, the generic attenuation method is predominantly used for licensing calculations. However, it has a limitation in that at increasing distances away from the core belt-line, it becomes increasingly less accurate because it cannot account for neutron streaming effects in the cavity region surrounding the pressure vessel. The other attenuation method is based on a displacement per atom (dpa) calculation specific to the reactor vessel structure. The dpa method provides a more accurate representation of fluence attenuation through the reactor pressure vessel (RPV) wall at all elevations of the pressure vessel because it does account for neutron streaming in the cavity region. A requirement for using the dpa method, however, is an accurate flux solution through the RPV wall. This requirement has limited the use of traditional transport methods, such as discrete ordinates, that are limited by their treatment of cavity regions (i.e., air) outside the pressure vessel wall. TransWare Enterprises, under the sponsorship of EPRI and BWRVIR has developed an advanced three-dimensional transport methodology capable of producing fully converged flux solutions throughout the entire reactor system, including in the cavity region and primary shield structures. This methodology provides an accurate and reliable determination of through-wall fluence in boiling water reactor (BWR) and pressurized water reactor (PWR) pressure vessels, thus allowing the dpa method to be implemented with high reliability. Using this advanced 3-D methodology, this paper presents comparisons of the generic and dpa attenuation methods at critical locations in both BWR and PWR pressure vessel walls. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗