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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 991 records · Page 55
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Verifying PLC Programs via Monitors: Extending the Integration of FRET and PLCverif

Verification of Programmable Logic Controller (PLC) programs requires reasoning about propositions qualified in terms of time. CERN’s PLCverif, an open-source tool for the analysis of safety-critical PLC systems, uses Linear Temporal Logic (LTL) for the specification of properties. Until now, PLCverif depended on third-party tools that accept LTL specifications to perform verification. However, our experience with industrial PLC programs shows that, to overcome analysis limitations, a wide range of techniques are needed to successfully verify complex properties. In this paper, we extend PLCverif to enable PLC program verification of pure-past LTL (PLTL) safety properties with assertion-based verification tools. To this end, we take an algorithm from the runtime-monitoring domain, apply it to bounded model checking of PLC programs, and implement it in PLCverif. We extend the integration of NASA’s Formal Requirements Elicitation Tool (FRET) into PLCverif to use PLTL properties generated with FRET. In addition, we leverage the program structure induced by the PLC scan-cycle for a state-space reduction. Finally, we expose the algorithm to a real-world case study of critical systems at CERN.

Formal verification↗
DOE OSTI2016

Lidar-Enhanced Wind Turbine Control: Past, Present, and Future

The main challenges in harvesting energy from the wind arise from the unknown incoming turbulent wind field. Balancing the competing interests of reduction in structural loads and increasing energy production is the goal of a wind turbine controller to reduce the cost of producing wind energy. Conventional wind turbines use feedback methods to optimize these goals, reacting to wind disturbances after they have already impacted the wind turbine. Lidar sensors offer a means to provide additional inputs to a wind turbine controller, enabling new techniques to improve control methods, allowing a controller to actuate a wind turbine in anticipation of an incoming wind disturbance. This paper will look at the development of lidar-enhanced controls and how they have been used for various turbine load reductions with pitch actuation, as well as increased energy production with improved yaw control. Ongoing work will also be discussed to show that combining pitch and torque control using feedforward nonlinear model predictive control can lead to both reduced loads and increased energy production. Future work is also proposed on extending individual wind turbine controls to the wind plant level and determining how lidars can be used for control methods to further lower the cost of wind energy by minimizing wake impacts in a wind farm.

17 WIND ENERGY↗
DOE OSTI2015

Modeling Cooperative Threads to Project GPU Performance for Adaptive Parallelism

Most accelerators, such as graphics processing units (GPUs) and vector processors, are particularly suitable for accelerating massively parallel workloads. On the other hand, conventional workloads are developed for multi-core parallelism, which often scale to only a few dozen OpenMP threads. When hardware threads significantly outnumber the degree of parallelism in the outer loop, programmers are challenged with efficient hardware utilization. A common solution is to further exploit the parallelism hidden deep in the code structure. Such parallelism is less structured: parallel and sequential loops may be imperfectly nested within each other, neigh boring inner loops may exhibit different concurrency patterns (e.g. Reduction vs. Forall), yet have to be parallelized in the same parallel section. Many input-dependent transformations have to be explored. A programmer often employs a larger group of hardware threads to cooperatively walk through a smaller outer loop partition and adaptively exploit any encountered parallelism. This process is time-consuming and error-prone, yet the risk of gaining little or no performance remains high for such workloads. To reduce risk and guide implementation, we propose a technique to model workloads with limited parallelism that can automatically explore and evaluate transformations involving cooperative threads. Eventually, our framework projects the best achievable performance and the most promising transformations without implementing GPU code or using physical hardware. We envision our technique to be integrated into future compilers or optimization frameworks for autotuning.

Meng, Jiayuan↗
DOE OSTI2013

Uranium from Seawater Program Review; Fuel Resources Uranium from Seawater Program DOE Office of Nuclear Energy

For nuclear energy to remain sustainable in the United States, economically viable sources of uranium beyond terrestrial ores must be developed. The goal of this program is to develop advanced adsorbents that can extract uranium from seawater at twice the capacity of the best adsorbent developed by researchers at the Japan Atomic Energy Agency (JAEA), 1.5 mg U/g adsorbent. A multidisciplinary team from Oak Ridge National Laboratory, Lawrence Berkeley National Laboratory, Pacific Northwest National Laboratory, and the University of Texas at Austin was assembled to address this challenging problem. Polymeric adsorbents, based on the radiation grafting of acrylonitrile and methacrylic acid onto high surface-area polyethylene fibers followed by conversion of the nitriles to amidoximes, have been developed. These poly(acrylamidoxime-co-methacrylic acid) fibers showed uranium adsorption capacities for the extraction of uranium from seawater that exceed 3 mg U/g adsorbent in testing at the Pacific Northwest National Laboratory Marine Sciences Laboratory. The essence of this novel technology lies in the unique high surface-area trunk material that considerably increases the grafting yield of functional groups without compromising its mechanical properties. This technology received an R&D100 Award in 2012. In addition, high surface area nanomaterial adsorbents are under development with the goal of increasing uranium adsorption capacity by taking advantage of the high surface areas and tunable porosity of carbon-based nanomaterials. Simultaneously, de novo structure-based computational design methods are being used to design more selective and stable ligands and the most promising candidates are being synthesized, tested and evaluated for incorporation onto a support matrix. Fundamental thermodynamic and kinetic studies are being carried out to improve the adsorption efficiency, the selectivity of uranium over other metals, and the stability of the adsorbents. Understanding the rate-limiting step of uranium uptake from seawater is also essential in designing an effective uranium recovery system. Finally, economic analyses have been used to guide these studies and highlight what parameters, such as capacity, recyclability, and stability, have the largest impact on the cost of extraction of uranium from seawater. Initially, the cost estimates by the JAEA for extraction of uranium from seawater with braided polymeric fibers functionalized with amidoxime ligands were evaluated and updated. The economic analyses were subsequently updated to reflect the results of this project while providing insight for cost reductions in the adsorbent development through “cradle-to-grave” case studies for the extraction process. This report highlights the progress made over the last three years on the design, synthesis, and testing of new materials to extract uranium for seawater. This report is organized into sections that highlight the major research activities in this project: (1) Chelate Design and Modeling, (2) Thermodynamics, Kinetics and Structure, (3) Advanced Polymeric Adsorbents by Radiation Induced Grafting, (4) Advanced Nanomaterial Adsorbents, (5) Adsorbent Screening and Modeling, (6) Marine Testing, and (7) Cost and Energy Assessment. At the end of each section, future research directions are briefly discussed to highlight the challenges that still remain to reduce the cost of extractions of uranium for seawater. Finally, contributions from the Nuclear Energy University Programs (NEUP), which complement this research program, are included at the end of this report.

extract uranium for seawater↗
DOE OSTI2023

Numerical discreteness errors in multispecies cosmological N -body simulations

ABSTRACT We present a detailed analysis of numerical discreteness errors in two-species, gravity-only, cosmological simulations using the density power spectrum as a diagnostic probe. In a simple set-up where both species are initialized with the same total matter transfer function, biased growth of power forms on small scales when the solver force resolution is finer than the mean interparticle separation. The artificial bias is more severe when individual density and velocity transfer functions are applied. In particular, significant large-scale offsets in power are measured between simulations with conventional offset grid initial conditions when compared against converged high-resolution results where the force resolution scale is matched to the interparticle separation. These offsets persist even when the cosmology is chosen so that the two particle species have the same mass, indicating that the error is sourced from discreteness in the total matter field as opposed to unequal particle mass. We further investigate two mitigation strategies to address discreteness errors: the frozen potential method and softened interspecies short-range forces. The former evolves particles under the approximately ‘frozen’ total matter potential in linear theory at early times, while the latter filters cross-species gravitational interactions on small scales in low-density regions. By modelling closer to the continuum limit, both mitigation strategies demonstrate considerable reductions in large-scale power spectrum offsets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Reaction Diffusion Modelling of 3D Pillar Electrodes in Single-Catalyst CO 2 Reduction Cascades

Effective electrochemical CO 2 reduction to liquid fuels requires that the local catalytic environment facilitates the desired reactivity, yet a microscopic understanding of this environment is difficult to achieve from experiment alone. In this work, a 3D reaction-diffusion model was developed to explore the effects of electrode surface area and local geometry on the performance of a heterogeneous catalyst that performs a two-step CO 2 reduction cascade reaction to CO and then CH 3 OH under aqueous conditions. Kinetic parameters for the model were inspired by experimental results using a cobalt phthalocyanine (CoPc) catalyst. Three-dimensional architectures composed of arrays of square pillars with varying dimensions and either smooth or periodically modulated surfaces were tested, revealing the extent to which geometry modulates the performance of the cascade reactions. Although structural variations modulate local concentration gradients, we find that electrochemically active surface area predominantly governs the overall cascade reaction. Moreover, the results suggest that supersaturation of CO, with concentrations up to ten-fold higher than the equilibrium solubility limit, might be critical for more efficient conversion to CH 3 OH. For any given geometry, the spatially averaged ratio of [CO] to [CO 2 ] is dictated by the electrochemically active surface area and determines the yield of CH 3 OH. For a fixed surface area, geometries that spatially confine the electrolyte yield moderate local [CO] to [CO 2 ] ratios within small volumes. In contrast, less confining geometries result in a broader distribution of local ratios spread over larger volumes, with both configurations yielding the same spatially averaged [CO] to [CO 2 ] ratio. These insights provide valuable design principles—highlighting the critical importance of surface area and possibly CO supersaturation—for engineering advanced electrode architectures that leverage intermediate trapping and CO supersaturation to enhance overall performance in tandem CO 2 reduction systems.

COMSOL↗
DOE OSTI2013

Impact of the non-planar morphology of pre-patterned substrates on the structural and electronic properties of embedded site-controlled InAs quantum dots

We present an experimental and theoretical analysis of the influence of a surface nanopattern on the properties of embedded InAs/GaAs quantum dots (QD). In particular, we analyze QDs grown on nanoimprint lithography (NIL) patterned grooves and investigate the influence of the non-planar surface morphology on the size, shape, strain distribution, and electronic structure of the embedded QDs. We show that the height reduction of InAs QDs during GaAs capping is significantly less pronounced for the QDs grown on the pattern than for the self-assembled QDs. Furthermore, the pattern has a strong impact on the strain and composition profile within the QD. The experimentally observed strain distribution was successfully reproduced with a three-dimensional model assuming an inverse-cone type composition gradient. Moreover, we show that the specific morphology of the QDs grown in the grooves gives rise to an increase of the vertically polarized photoluminescence emission which was explained by employing 8-band k.p calculations. Our findings emphasize that the surface curvature of the pattern not only determines the nucleation sites of the QDs but also has a strong impact on their morphological properties including shape, size, composition profile, and strain distribution. These properties are strongly cross-correlated and determine the electronic and optical characteristics of the QDs.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structures: Preprint

The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is poorly understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time of use tariff to estimate economic and physical impacts on both the households and the distribution utilities. HEMS reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Household savings are greater than the reduction utility net revenue indicating that HEMS can provide a societal benefit providing tariffs are structured so that utilities remain solvent. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices and resulting in a higher peak load.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Effects of ionomer morphology on oxygen reduction on Pt

In this paper, the oxygen reduction reaction (ORR) at the interface between platinum and Nafion 1100 equivalent weight was studied as a function of temperature (20–80 °C), humidity (10–100%), scan rate, the manner in which Nafion film was deposited, and the state of the Pt surface using ultramicroelectrodes employing cyclic voltammetry and chronoamperometry. ORR on smooth electrodes was strongly inhibited under specific conditions dependent on temperature, humidity, and scan rate. From the data presented, we postulate that dynamic changes in the molecular structure of the ionomer at the platinum interface result in differences in ORR voltammetry for films prepared and equilibrated under different conditions. The lack of similar changes for rough, platinized electrodes has been attributed to differences in initial ionomer structure and a higher energy barrier for ionomer restructuring. Finally, these model system studies yield insight into the ionomer-catalyst interface of particular interest for polymer electrolyte fuel cells.

14 SOLAR ENERGY↗
NASA NTRS1974

Rough surface scattering based on facet model

A model for the radar return from bare ground was developed to calculate the radar cross section of bare ground and the effect of the frequency averaging on the reduction of the variance of the return. It is shown that, by assuming that the distribution of the slope to be Gaussian and that the distribution of the length of the facet to be in the form of the positive side of a Gaussian distribution, the results are in good agreement with experimental data collected by an 8- to 18-GHz radar spectrometer system. It is also shown that information on the exact correlation length of the small structure on the ground is not necessary; an effective correlation length may be calculated based on the facet model and the wavelength of the incident wave.

Khamsi, H. R.↗
DOE OSTI2019

Spin-Correlated Radical Pairs as Quantum Sensors of Bidirectional ET Mechanisms in Photosystem I

Following light-generated electron transfer reactions in photosynthetic reaction center proteins, an entangled spin qubit (radical) pair is created. The exceptional sensitivity of entangled quantum spin states to weak magnetic interactions, structure, and local environments was used to monitor the directionality of electron transfer in Photosystem I (PSI). Electron paramagnetic resonance (EPR) spectra of radical pairs formed via each symmetric branch of cofactors, A or B, exhibit distinctive line shapes. By photochemical reduction and biochemical modification of PSI we created samples where the radical pair(s) from (1) only A branch, (2) only B branch, or (3) both A and B branches are detectable. These PSI samples were used to analyze the asymmetry of electron transfer as a function of temperature, freezing condition, and temperature cycling. The temperature dependency agrees with a dynamic model in which the conformational states of the protein regulate the directionality of electron transfer. High spectral resolution afforded by high-frequency (130 GHz) EPR, combined with extra resolution afforded by deuterated proteins, provides new mechanistic insight via structural and environmental sensitivity of the entangled electron spins of photogenerated radical pairs.

Poluektov, Oleg G.↗
DOE OSTI2016

Order/Disorder and in Situ Oxide Defect Control in the Bixbyite Phase YPrO 3+δ (0 ≤ δ < 0.5)

The YPrO 3+δ system is a nearly ideal model system for the investigation of oxide defect creation and annihilation in oxide ion conductor related phases with potential applications as solid state electrolytes in solid oxide fuel cells. The formation, structure, high temperature reactivity, and magnetic susceptibility of phase pure YPrO 3+δ (0 ≤ δ ≤ 0.46) are reported. The topotactic reduction and oxidation of the YPrO 3+δ system was investigated by powder X-ray in situ diffraction experiments and revealed bixbyite structures (space group: $Ia\bar{3}$) throughout the series. Combined neutron and X-ray data clearly show oxygen uptake and removal. The research provides a detailed picture of the Y 3+ /Pr 3+ /Pr 4+ sublattice evolution in response to the redox chemistry. Upon oxidation, cation site splitting is observed where the cation in the (1/4, 1/4, 1/4) position migrates along the body diagonal to the (x, x, x) position. Any oxygen in excess of YPrO 3.0 is located in the additional 16c site without depopulating the original 48e site. The in situ X-ray diffraction data and thermal gravimetric analysis have revealed the reversible topotactic redox reactivity at low temperatures (below 425 °C) for all compositions from YPrO 3 to YPrO 3.46 . Magnetic susceptibility studies were utilized in order to further confirm praseodymium oxidation states. The linear relation between the cubic unit cell parameter and oxygen content allows for the straightforward determination of oxygen stoichiometry from X-ray diffraction data. Here, the different synthesis strategies reported here are rationalized with the structural details and the reactivity of YPrO 3+δ phases and provide guidelines for the targeted synthesis of these functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Employing Fracture Statistics to Track Cell Reliability Through Module Fabrication

In this work we demonstrate how fracture statistics may be employed to track cell reliability through module fabrication steps. We were able to detect how cell cutting equipment could reduce cell fracture strain by 25 % as well as increase its variability. A smaller reduction was found to result from the ribbon soldering operation, and all cells measured were weaker when strained in an orientation perpendicular to the gridlines. Cell fracture measurements were found to be consistent with the number of cracked cells experienced in full sized modules exposed to mechanical loading. A structural mechanics model was created to elucidate how the requisite fracture strain is developed in a cell encapsulated within a PV module and demonstrates that this strain decreases more than 50 % from its center to edge when placed within the inner loading span of four-point flexure. The associated implications on the apparent cell strength is examined with an effective volume treatment.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2013

Development and Performance Evaluation of High Temperature Concrete for Thermal Energy Storage for Solar Power Generation

Thermal energy can be stored by the mechanism of sensible or latent heat or heat from chemical reactions. Sensible heat is the means of storing energy by increasing the temperature of the solid or liquid. Since the concrete as media cost per kWh thermal is $1, this seems to be a very economical material to be used as a TES. This research is focused on extending the concrete TES system for higher temperatures (500 °C to 600 °C) and increasing the heat transfer performance using novel construction techniques. To store heat at high temperature special concretes are developed and tested for its performance. The storage capacity costs of the developed concrete is in the range of $0.91-$3.02/kWh thermal . Two different storage methods are investigated. In the first one heat is transported using molten slat through a stainless steel tube and heat is transported into concrete block through diffusion. The cost of the system is higher than the targeted DOE goal of $15/kWht hermal . The increase in cost of the system is due to stainless steel tube to transfer the heat from molten salt to the concrete blocks.The other method is a one-tank thermocline system in which both the hot and cold fluid occupy the same tank resulting in reduced storage tank volume. In this model, heated molten salt enters the top of the tank which contains a packed bed of quartzite rock and silica sand as the thermal energy storage (TES) medium. The single-tank storage system uses about half the salt that is required by the two-tank system for a required storage capacity. This amounts to a significant reduction in the cost of the storage system. The single tank alternative has also been proven to be cheaper than the option which uses large concrete modules with embedded heat exchangers. Using computer models optimum dimensions are determined to have an round trip efficiency of 84%. Additionally, the cost of the structured concrete thermocline configuration provides the TES capacity cost of $33.80$/kWh thermal compared with $30.04/kWhthermal for a packed-bed thermocline (PBTC) configuration and $46.11/kWh thermal for a two-tank liquid configuration.

14 SOLAR ENERGY↗
NASA NTRS1976

A numerically efficient finite element hydroelastic analysis

A finite element hydroelastic analysis formulation is developed on the basis of Toupin's complementary variational principle. Emphasis is placed on the special case of an incompressible fluid model which is applicable to propellant tank hydroelastic analysis. A concise fluid inertia representation results from the assumption of incompressibility and the hydroelastic equations reduce to a simplified form associated with the structure alone. The efficiency of the incompressible hydroelastic formulation is enhanced for both fluid and structure by introduction of harmonic reduction as an alternative to Guyan reduction. The theoretical developments are implemented in the NASTRAN Program and the technique is verified and demonstrated as an efficient and accurate approach with a series of illustrative problems including the 1/8-scale Space Shuttle external tank.

Coppolino, R.↗
NASA NTRS1976

A numerically efficient finite element hydroelastic analysis

A finite element hydroelastic analysis formulation is developed on the basis of Toupin's complementary variational principle. Emphasis is placed on the special case of an incompressible fluid model which is applicable to propellant tank hydroelastic analysis. A concise fluid inertia representation results from the assumption of incompressibility and the hydroelastic equations reduce to a simplified form associated with the structure alone. The efficiency of the incompressible hydroelastic formulation in unhanced for both fluid and structure by introduction of harmonic reduction as an alternative to Guyan reduction. The theoretical developments are implemented in the NASTRAN Program and the technique is verified and demonstrated as an efficient and accurate approach with a series of illustrative problems including the 1/8 scale space shuttle external tank.

Coppolino, R. N.↗
NASA NTRS1978

Helium glow detector experiment, MA-088

Of the two 584 A channels in the helium glow detector, channel #1 appeared to provide data with erratic count rates and undue susceptibility to dayglow and solar contamination possibly because of filter fatigue or failure. Channel #3 data appear normal and of high quality. For this reason only data from this last channel was analyzed and used for detailed comparison with theory. Reduction and fitting techniques are described, as well as applications of the data in the study of nighttime and daytime Hel 584 A emission. A hot model of the interstellar medium is presented. Topics covered in the appendix include: observations of interstellar helium with a gas absorption cell: implications for the structure of the local interstellar medium; EUV dayglow observations with a helium gas absorption cell; and EUV scattering from local interstellar helium at nonzero temperatures: implications for the derivations of interstellar medium parameters.

Bowyer, C. S.↗
NASA NTRS1980

A mass reduction effort of the electric and hybrid vehicle

Weight reduction, cost competitiveness, and elimination of the intrusion beam resulted from the redesign and fabrication using composite materials of the door outer panel and intrusion beam from a Chevrolet Impala. The basis of the redesign involved replacing these two steel parts with a single compression molding using the unique approach of simultaneously curing a sheet molding compound outside panel with a continuous glass fiber intrusion strap. A weight reduction of nearly 11 pounds per door was achieved. Additional weight savings are possible by taking advantage of the elimination of the intrusion beam to design thinner door structures. The parts consolidation approach allows the composite structure to be cost competitive with the original steel design for both the lower production car models and for the near to midterm production vehicles using current state of the art composite production techniques. The design, prototype fabrication, costing, material, properties and compression molding production requirements are discussed.

Freeman, R. B.↗