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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Oxygen Reduction Reaction on Ag(111) in Alkaline Solution: A Combined Density Functional Theory and Kinetic Monte Carlo Study

We reported a detailed mechanistic study of the oxygen reduction reaction (ORR) on the model Ag(111) surface in alkaline solution by using density functional theory (DFT) and Kinetic Monte Carlo (KMC) simulations, in which multiple pathways involving either 2 e - or 4 e - mechanisms were included. The theoretical modelling presented here is able to reproduce the experimentally measured polarization curves in both low and high potential regions. An electrochemical 4 e - network including both a chemisorbed water (*H 2 O)-mediated 4 e - associative pathway and the conventional associative pathway was identified to dominate the ORR mechanism. On the basis of the mechanistic understanding derived from these calculations, the ways to promote the ORR on Ag(111) were provided, including facilitating *OH removal, **O 2 reduction by *H 2 O, and suppressing **O 2 desorption. Finally, the origin of the different ORR behaviors of Ag(111) and Pt(111) was also discussed in detail.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Electron kinematics in a plasma focus

The results of numerical integrations of the three-dimensional relativistic equations of motion of electrons subject to given electric and magnetic fields are presented. Fields due to two different models are studied: (1) a circular distribution of current filaments, and (2) a uniform current distribution; both the collapse and the current reduction phases are studied in each model. Decreasing current in the uniform current model yields 100 keV electrons accelerated toward the anode and, as for earlier ion computations, provides general agreement with experimental results.

Hohl, F.↗
NASA NTRS1998

Benefits of Swept and Leaned Stators for Fan Noise Reduction

An advanced high bypass ratio fan model was tested in the NASA Lewis Research Center 9 x 15-Foot Low Speed Wind Tunnel. The primary focus of this test was to quantify the acoustic benefits and aerodynamic performance of sweep and lean in stator vane design. Three stator sets were used for this test series. A conventional radial stator was tested at two rotor-stator axial spacings. Additional stator sets incorporating sweep + lean, and sweep only were also tested. The hub axial location for the swept + lean, and sweep only stators corresponded to the location of the radial stator at the upstream rotor-stator spacing, while the tip axial location of these modified stators corresponded to the radial stator axial position at the downstream position. The acoustic results show significant reductions in both rotor-stator interaction noise and broadband noise beyond what could be achieved through increased axial spacing of the conventional, radial stator. Theoretical application of these results to acoustically quantify a fictitious 2-engine aircraft and flight path suggested that about 3 Effective Perceived Noise (EPN) dB could be achieved through incorporation of these modified stators. This reduction would represent a significant portion of the 6 EPNdB noise goal of the current NASA Advanced Subsonic Technology (AST) initiative relative to that of 1992 technology levels. A secondary result of this fan test was to demonstrate the ability of an acoustic barrier wall to block aft-radiated fan noise in the wind tunnel, thus revealing the acoustic structure of the residual inlet-radiated noise. This technology should prove valuable toward better understanding inlet liner design, or wherever it is desirable to eliminate aft-radiated noise from the fan acoustic signature.

Woodward, Richard P.↗
DOE OSTI2023

A Dicationic fac -Re(bpy)(CO) 3 Cl for CO 2 Electroreduction at a Reduced Overpotential

Here, a dicationic Re bipyridine-type complex, fac-Re(6,6'-(2-((trimethylammonio)-methyl)phenyl)-2,2'-bipyridine)(CO) 3 Cl hexafluorophosphate (1 2+ ), has been synthesized and its electrochemical behavior under Ar and CO 2 has been investigated. The presence of pendent tetra-alkylammonium cations induces an anodic shift in the electrocatalytic potential for CO 2 reduction relative to structurally similar model complexes. The electrochemical mechanisms in anhydrous CH 3 CN and in the presence of weak acids (water or trifluoroethanol) have been analyzed using cyclic voltammetry assisted by infrared spectroelectrochemistry and theoretical calculations. The dication enables catalysis at a diminished potential through coulombic stabilization of the doubly reduced pentacoordinate species, its CO 2 adduct, the hydroxide anion, and the conjugate base formed during acid-assisted C-OH bond cleavage of the metallocarboxylic acid to the metallocarbonyl and H 2 O. The major reduction product is CO, but in the presence of trifluoroethanol, formate is also produced with 14% Faradaic efficiency.

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

Improved semiclassical model for real-time evaporation of matrix black holes

In this paper, we study real-time classical matrix mechanics of a simplified 2 × 2 matrix model inspired by the black hole evaporation problem. This is a step towards making a quantitative model of real-time evaporation of a black hole, which is realized as a bound state of D0-branes in string theory. The model we study is the reduction of Yang–Mills in 2 + 1 dimension to 0 + 1 dimensions, which has been corrected with an additional potential that can be interpreted as a zero-point energy for fermions. Our goal is to understand the lifetime of such a classical bound state object in the classical regime. To do so, we pay particular attention to when D-particles separate to check that the “off-diagonal modes” of the matrices become adiabatic and use that information to improve on existing models of evaporation. It turns out that the naive expectation value of the lifetime with the fermionic correction is infinite. This is a logarithmic divergence that arises from very large excursions in the separation between the branes near the threshold for classical evaporation. The adiabatic behavior lets us get some analytic control of the dynamics in this regime to get this estimate. This divergence is cutoff in the quantum theory due to quantization of the adiabatic parameter, resulting in a long lifetime of the bound state, with a parametric dependence of order log(1/ℏ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2010

Concepts and Challenges for Environmentally Friendly En Route Operations

Presented research on environmentally friendly en route traffic flow concepts incorporating models developed by basic climate research Developed an optimal contrail reduction trajectory concept. Integrated fuel flow, emissions and optimization models with FACET. Verified it against FAA emission models. Ability to conduct system level analysis of Traffic Flow Management concepts with minimal environmental impact.

Sridhar, Banavar↗
NASA NTRS2019

Hybrid RANS/LES Simulation of Jet Surface Interaction Noise

NASA’s Commercial Supersonic Technology (CST) project has formulated a technical challenge to design a quiet propulsion system for a low boom supersonic aircraft that meets Federal Aviation Authority’s airport noise regulations with sufficient margin. Several proposed configurations take advantage of shielding from the wing or other air-frame components. Development of carefully validated computational tools are necessary for critically evaluating installation concepts that are currently being proposed to meet the technical challenge. Semi-empirical models that predict the noise reduction potential of arbitrary shielding surfaces are yet to mature. Another key challenge is the systematic assessment of additional noise from the interaction between high speed jet turbulence and a surface in it’s vicinity. As a first step towards predicting noise reduction due to radical installation concepts from first principles, we simulate the noise generated by a high speed turbulent round jet near a simple planar surface. Detailed comparisons are made with a dedicated experiment conducted at NASA’s Glenn Research Center. Sensitivity of far-field noise predictions to grid resolution is systematically documented. A permeable Ffowcs Williams Hawkings (FWH) surface enclosing both the jet and the shielding surface is used to predict far-field noise from the simulated flowfield. Details of the structured overset grids, numerical discretization, and turbulence model are provided. Near-field comparisons to PIV data and far-field comparisons to microphone array measurements are discussed. Excellent agreement for an initial validation study on an isolated free round jet was obtained and the findings were utilized in the jet surface interaction study. The split between shielded and reflected side of the microphone array was captured with good agreement, as well as the peak in the noise spectra due to scattering of turbulent energy into sound by the trailing edge of the surface.

Stich, Gerrit-Daniel↗
NASA NTRS2009

Experimental Studies of the Aerothermal Characteristics of the Project Orion CEV heat Shield in High Speed Transitional and Turbulent Flows

An experimental program has been completed by CUBRC exploring laminar, transitional, and turbulent flows over a 7.0% scale model of the Project ORION CEV geometry. This program was executed primarily to answer questions concerning the increase in heat transfer on the windward, or "hot shoulder" of the CEV heat shield from laminar to turbulent flow. To answer these questions CUBRC constructed and instrumented a 14.0 inch diameter Project ORION CEV model and ran a range of Reynolds numbers based on diameter from 1.0 to over 40 million at a Mach number of 8.0. These Reynolds numbers were selected to cover laminar to turbulent heating data on the "hot shoulder". Data obtained during these runs will be used to guide design decisions as they apply to heat shield thickness and extent. Several experiments at higher enthalpies were achieved to obtain data for code validation with real gas effects and transition. CUBRC also performed computation studies of these experiments to aid in the data reduction process and study turbulence modeling.

Wadhams, T.P.↗
NASA NTRS2024

Usage of ChatGPT for Engineering Design and Analysis Tool Development

ChatGPT, a generative AI large language model, has recently captured significant attention in both the computer science community and the broader public domain. It has demonstrated a wide range of capabilities, from answering simple questions to writing fully functional computer code. This study spotlights both the capabilities and limitations of ChatGPT when addressing engineering problems. The model's capacity to generate practical engineering tools is highlighted through an example of a prompt that leads to an interactive plotting tool, enabling the examination of the fluid boundary layer around a fan blade. Subsequently, the paper also uncovers potential pitfalls in ChatGPT’s application, shown through an unsuccessful attempt to use ChatGPT to automate a process in Ansys Workbench through scripting. The research further investigates ChatGPT's proficiency in addressing inquiries and providing explanations about the functionalities of OpenMDAO, an open-source, multidisciplinary design, analysis, and optimization tool developed at NASA Glenn Research Center. Finally, an optimization methodology, developed with ChatGPT’s help, is applied to the structural optimization of a fan blade. The developed optimization method utilizes T-Blade3 for geometry generation, Ansys Mechanical for meshing and finite element analysis, and sci-kit learn’s MLPRegressor method to generate a trained neural network model of the design space. OpenMDAO is then used to find the optimal point within the design space. The outcome is a significant reduction in stress in the optimized model—less than one-fifth of the stress value in the baseline model.

Design↗
NASA NTRSDate not supplied

Usage of ChatGPT for Engineering Design and Analysis Tool Development

ChatGPT, a generative AI large language model, has recently captured significant attention in both the computer science community and the broader public domain. It has demonstrated a wide range of capabilities, from answering simple questions to writing fully functional computer code. This study spotlights both the capabilities and limitations of ChatGPT when addressing engineering problems. The model's capacity to generate practical engineering tools is highlighted through an example of a prompt that leads to an interactive plotting tool, enabling the examination of the fluid boundary layer around a fan blade. Subsequently, the paper also uncovers potential pitfalls in ChatGPT’s application, shown through an unsuccessful attempt to use ChatGPT to automate a process in Ansys Workbench through scripting. The research further investigates ChatGPT's proficiency in addressing inquiries and providing explanations about the functionalities of OpenMDAO, an open-source, multidisciplinary design, analysis, and optimization tool developed at NASA Glenn Research Center. Finally, an optimization methodology, developed with ChatGPT’s help, is applied to the structural optimization of a fan blade. The developed optimization method utilizes T-Blade3 for geometry generation, Ansys Mechanical for meshing and finite element analysis, and sci-kit learn’s MLPRegressor method to generate a trained neural network model of the design space. OpenMDAO is then used to find the optimal point within the design space. The outcome is a significant reduction in stress in the optimized model—less than one-fifth of the stress value in the baseline model.

Design↗
DOE OSTI2019

A nonlinear data-driven reduced order model for computational homogenization with physics/pattern-guided sampling

Developing an accurate nonlinear reduced order model from simulation data has been an outstanding research topic for many years. For many physical systems, data collection is very expensive and the optimal data distribution is not known in advance. Thus, maximizing the information gain remains a grand challenge. In a recent paper, Bhattacharjee and Matouš (2016) proposed a manifold-based nonlinear reduced order model for multiscale problems in mechanics of materials. Expanding this work here, we develop a novel sampling strategy based on the physics/pattern-guided data distribution. Our adaptive sampling strategy relies on enrichment of sub-manifolds based on the principal stretches and rotational sensitivity analysis. This novel sampling strategy substantially decreases the number of snapshots needed for accurate reduced order model construction (i.e., ~5 x reduction of snapshots over Bhattacharjee and Matouš (2016)). Moreover, we build the nonlinear manifold using the displacement rather than deformation gradient data. We provide rigorous verification and error assessment. We demonstrate both localization and homogenization of the multiscale solution on a large particulate composite unit cell.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A reduced-form approach for representing the impacts of wind and solar PV deployment on the structure and operation of the electricity system

In many climate change mitigation scenarios, integrated assessment models of the energy and climate systems rely heavily on renewable energy technologies with variable and uncertain generation, such as wind and solar PV, to achieve substantial decarbonization of the electricity sector. However, these models often include very little temporal resolution and thus have difficulty in representing the integration costs that arise from mismatches between electricity supply and demand. The global integrated assessment model, MESSAGE, has been updated to explicitly model the trade-offs between variable renewable energy (VRE) deployment and its impacts on the electricity system, including the implications for electricity curtailment, backup capacity, and system flexibility. These impacts have been parameterized using a reduced-form approach, which allows VRE integration impacts to be quantified on a regional basis. In addition, thermoelectric technologies were updated to include two modes of operation, baseload and flexible, to better account for the cost, efficiency, and availability penalties associated with flexible operation. In this paper, the modeling approach used in MESSAGE is explained and the implications for VRE deployment in mitigation scenarios are assessed. Three important stylized facts associated with integrating high VRE shares are successfully reproduced by our modeling approach: (1) the significant reduction in the utilization of non-VRE power plants; (2) the diminishing role for traditional baseload generators, such as nuclear and coal, and the transition to more flexible technologies; and (3) the importance of electricity storage and hydrogen electrolysis in facilitating the deployment of VRE.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2015

99Tc(VII) Retardation, Reduction, and Redox Rate Scaling in Naturally Reduced Sediments

Abstract: An experimental and modeling study was conducted to investigate pertechnetate (Tc(VII)) retardation, reduction, and rate scaling in three sediments from Ringold formation at U.S. Department of Energy’s Hanford site, where 99Tc is a major contaminant in groundwater. Tc(VII) was reduced in all the sediments in both batch reactors and diffusion columns, with a faster rate in a sediment containing a higher concentration of HCl-extractable Fe(II). Tc(VII) migration in the diffusion columns was reductively retarded with retardation degrees correlated with Tc(VII) reduction rates. The reduction rates were faster in the diffusion columns than those in the batch reactors, apparently influenced by the spatial distribution of redox-reactive minerals along transport paths that supplied Tc(VII). X-ray computed tomography and autoradiography were performed to identify the spatial locations of Tc(VII) reduction and transport paths in the sediments, and results generally confirmed the newly found behavior of reaction rate changes from batch to column. The results from this study implied that Tc(VII) migration can be reductively retarded at Hanford site with a retardation degree dependent on reactive Fe(II) content and its distribution in sediments. This study also demonstrated that an effective reaction rate may be faster in transport systems than that in well-mixed reactors.

Tc transport↗
NASA NTRS1986

Combining Structural and Substructural Mathematical Models

Automation reduces input length and potential data-entry errors. Matrix Automated Reduction and Coupling (MARC) program used for combining NASTRAN substructural models with primary structural model MARC also constructs job-control language (JCL) stream for NASTRAN batch job that utilizes previously-written user library of dynamic models. Minimizes lengthy input and reduces potential data-entry errors. MARC procedure used in assembling Space Shuttle orbiter dynamic models since 1983 and reduced NASTRAN modeling input time by as much as 50 percent. MARC program written in FORTRAN IV for interactive execution.

Choa, V. K.↗
DOE OSTI2021

Analytics-at-scale of Sensor Data for Digital Monitoring in Nuclear Plants: 2nd Annual Report

For economic reasons, the nuclear industry is witnessing premature closure of nuclear power plants, despite excellent safety records. Operations and Maintenance (O&M) activities are some of the largest costs in operating legacy light-water plants. By reducing O&M costs, nuclear energy can become more economically competitive with other energy sources. This can be achieved by leveraging machine-learning and artificial intelligence technologies to develop data-driven algorithms to better diagnose potential faults within the system. Improved accuracy of the models can lead to a reduction in unnecessary maintenance, thus reducing costs associated with parts, labor, and unnecessary planned, forced, or extended outages. To address these challenges, the goal of this project is to perform research and development in the area of digital monitoring, i.e., the application of advanced sensor technologies (particularly wireless sensor technologies) and data science based analytic capabilities, to advance online monitoring and predictive maintenance in nuclear plants and improve plant performance (efficiency gain and economic competitiveness). This report summarizes the fiscal year 2020 research progress encompassing (1) different wireless vibration sensor and data indicators used to assess the health of a plant asset; (2) development of diagnostic models for fault detection; and (3) development of prognostic models for estimating the health of the system up to 7 days ahead.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Climate Control Load Reduction Strategies for Electric Drive Vehicles in Cold Weather

When operated, the climate control system is the largest auxiliary load on a vehicle. This load has significant impact on fuel economy for conventional and hybrid vehicles, and it drastically reduces the driving range of all electric vehicles (EVs). Heating is even more detrimental to EV range than cooling because no engine waste heat is available. Reducing the thermal loads on the heating, ventilating, and air conditioning system will extend driving range and increase the market penetration of EVs. Researchers at the National Renewable Energy Laboratory have evaluated strategies for vehicle climate control load reduction with special attention toward grid connected electric vehicles. Outdoor vehicle thermal testing and computational modeling were used to assess potential strategies for improved thermal management and to evaluate the effectiveness of thermal load reduction technologies. A human physiology model was also used to evaluate the impact on occupant thermal comfort. Experimental evaluations of zonal heating strategies demonstrated a 5.5% to 28.5% reduction in cabin heating energy over a 20-minute warm-up. Vehicle simulations over various drive cycles show a 6.9% to 18.7% improvement in EV range over baseline heating using the most promising zonal heating strategy investigated. A national-level analysis was conducted to determine the overall national impact. If all vehicles used the best zonal strategy, the range would be improved by 7.1% over the baseline heating range. This is a 33% reduction in the range penalty for heating.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1976

Re-examination of compliant wall experiments in air with water substrates

A possible alternative explanation is proposed for compliant wall drag reductions measured in previous investigations. Standing waves were observed to form on the surfaces of compliant wall models in air with water substrates as the freestream velocity was increased from 15 to 30 m/s. These waves resembled sine waves with half of the wave protruding over the upstream portion of the model and the other half being recessed over the downstream end of the model. These data coupled with results of recent drag reduction experiments suggest that standing waves could have caused a shift in the model center of gravity creating a bending moment that was interpreted as a reduction in the skin friction drag.

Hefner, J. N.↗