Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sensitivity formulations”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Development and Validation of Water Vapor Tracers as Diagnostics for the Atmospheric Hydrologic Cycle

Understanding of the local and remote sources of water vapor can be a valuable diagnostic in understanding the regional atmospheric hydrologic cycle. In the present study, we have implemented passive tracers as prognostic variables to follow water vapor evaporated in predetermined regions until the water tracer precipitates. The formulation of the sources and sinks of tracer water is generally proportional to the prognostic water vapor variable. Because all water has been accounted for in tracers, the water vapor variable provides the validation of the tracer water and the formulation of the sources and sinks. The tracers have been implemented in a GEOS General Circulation Model (GCM) simulation consisting of several summer periods to determine the source regions of precipitation for the United States and India. The recycling of water and interannual variability of the sources of water will be examined. Potential uses in GCM sensitivity studies, predictability studies and data assimilation will be discussed.

Bosilovich, Michael G.↗
DOE OSTI2026

Networks of electrochemical oxidation of common lithium-ion Battery solvents revealed by NMR spectroscopy

Raising the upper cutoff voltage of lithium-ion batteries (LIBs) to increase energy density often exceeds the electrolyte’s anodic stability limit, accelerating degradation and creating a major durability tradeoff. Designing electrolytes that can sustain long-term high-voltage cycling requires a clearer understanding of the fundamental mechanisms occurring when commercial carbonate solvents oxidize. Here, to this end, simplified single-salt, single-solvent formulations of LiClO 4 and LiPF 6 in dimethyl carbonate (DMC), ethylene carbonate (EC), or ethyl methyl carbonate (EMC) were anodically electrolyzed on inert electrodes and monitored for extended periods of time using 1 H, 13 C, 19 F, and 35 Cl nuclear magnetic resonance (NMR) spectroscopy. The controlled environment of the experiments, coupled to the unique sensitivity of NMR, unveiled novel metastable intermediates and the formation of branching networks of products with temporal evolution. Oxidation of the pristine solvent primarily proceeds through a radical pathway that also produces highly reactive protons but faces competition from a second pathway involving a radical carbocation intermediate. In all cases, the intermediates follow a variety of downstream pathways that can intersect with each other. The concomitant network of reactions represents a significant increase in complexity compared to common descriptions in the literature, yet, critically, it helps explain the wide range of products typically identified in electrolyte oxidation in complete cells. The results highlight the need for refocusing fundamental research on anodic stability to analysis of the hierarchy of reaction networks to better inform efforts to mitigate the detrimental effects on battery performance, including prevention and harvesting of proton and radical products.

Electrolytes↗
DOE OSTI2021

New Approach Methodology for Assessing Inhalation Risks of a Contact Respiratory Cytotoxicant: Computational Fluid Dynamics-Based Aerosol Dosimetry Modeling for Cross-Species and In Vitro Comparisons

Regulatory agencies are considering alternative approaches to assessing inhalation toxicity that utilizes in vitro studies with human cells and in silico modeling in lieu of additional animal studies. In support of this goal, computational fluid-particle dynamics models were developed to estimate site-specific deposition of inhaled aerosols containing the fungicide, chlorothalonil, in the rat and human for comparisons to prior rat inhalation studies and new human in vitro studies. Under bioassay conditions, the deposition was predicted to be greatest at the front of the rat nose followed by the anterior transitional epithelium and larynx corresponding to regions most sensitive to local contact irritation and cytotoxicity. For humans, simulations of aerosol deposition covering potential occupational or residential exposures (1–50 µm diameter) were conducted using nasal and oral breathing. Aerosols in the 1–5 µm range readily penetrated the deep region of the human lung following both oral and nasal breathing. Under actual use conditions (aerosol formulations >10 µm), the majority of deposited doses were in the upper conducting airways. Beyond the nose or mouth, the greatest deposition in the pharynx, larynx, trachea, and bronchi was predicted for aerosols in the 10–20 µm size range. Only small amounts of aerosols >20 µm penetrated past the pharyngeal region. Using the ICRP clearance model, local retained tissue dose metrics including maximal concentrations and areas under the curve were calculated for each airway region following repeated occupational exposures. These results are directly comparable with benchmark doses from in vitro toxicity studies in human cells leading to estimated human equivalent concentrations that reduce the reliance on animals for risk assessments.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
NASA NTRS1984

Maneuvering of large flexible space antennas using optimal discrete-time controllers

The problem of maneuvering large space structures is formulated as a discrete-time, finite-duration optimal regulator problem. Two methods are considered for minimizing the elastic motion during the maneuver. The methods are applied to retargetting maneuver of a large space antenna, and the results are compared with those obtained using bang-bang control. The optimal regulator designed using the model error sensitivity supression method gives the best performance.

Joshi, S. M.↗
NASA NTRS1997

A Viscoplastic Constitutive Theory for Monolithic Ceramic Materials

With increasing use of ceramic materials in high temperature structural applications such as advanced heat engine components, the need arises to accurately predict thermomechanical behavior. This paper, which is the first of two in a series, will focus on inelastic deformation behavior associated with these service conditions by providing an overview of a viscoplastic constitutive model that accounts for time-dependent hereditary material deformation (e.g., creep, stress relaxation, etc.) in monolithic structural ceramics. Early work in the field of metal plasticity indicated that inelastic deformations are essentially unaffected by hydrostatic stress. This is not the case, however, for ceramic-based material systems, unless the ceramic is fully dense. The theory presented here allows for fully dense material behavior as a limiting case. In addition, ceramic materials exhibit different time-dependent behavior in tension and compression. Thus, inelastic deformation models for ceramics must be constructed in a fashion that admits both sensitivity to hydrostatic stress and differing behavior in tension and compression. A number of constitutive theories for materials that exhibit sensitivity to the hydrostatic component of stress have been proposed that characterize deformation using time-independent classical plasticity as a foundation. However, none of these theories allow different behavior in tension and compression. In addition, these theories are somewhat lacking in that they are unable to capture creep, relaxation, and rate-sensitive phenomena exhibited by ceramic materials at high temperature. When subjected to elevated service temperatures, ceramic materials exhibit complex thermomechanical behavior that is inherently time-dependent, and hereditary in the sense that current behavior depends not only on current conditions, but also on thermo-mechanical history. The objective of this work is to present the formulation of a macroscopic continuum theory that captures these time-dependent phenomena. Specifically, the overview contained in this paper focuses on the multiaxial derivation of the constitutive model, and examines the scalar threshold function and its attending geometrical implications.

Janosik, Lesley A.↗
DOE OSTI2021

Electronic Structure and Spin Correlations in Novel Magnetic Structures

The research has advanced understanding of the interrelation between the crystal structure and magnetism in several materials which are or can be of interest for the development of improved, specialized or more cost-effective permanent magnets, as well as in selected materials for biomedical and catalytic applications. Fundamental aspects of ferromagnetism were investigated for Mn-Ge, Co-V and Co-Ge nanoclusters and for melt-spun Co-Sn alloys. New solution-chemistry synthesis methods were designed and tested for Fe-Pt, Fe3C and Fe3O4 nanoparticles. Off-stoichiometric Laves phases in the Fe-Si-Zr, Fe-Nb and Fe-Ta systems, as well as Fe5(Si,Ge)B2 compounds were assessed as new rare-earth-free permanent magnet materials; all except the Fe-Si-Zr Laves phases were found to be promising enough to merit a further exploration. A new method for manufacturing rare-earth-free magnets based on the MnBi compound was developed; by purposely avoiding oxidation-sensitive fine single-crystalline powders, the new method yields magnets with a 50% larger energy storage capacity. Studies of rare-earth-lean permanent-magnet materials (lean compared to the currently predominant Nd-Fe-B materials) were focused on the tetragonal compound of the ThMn12 structure type and included both discovery and characterization of new formulations and exploration of new fabrication/processing techniques. Among the most significant achievements were successful preparation of a vanadium-lean SmFe11V compound, the first observation of thermomechanically induced texture in nanocrystalline Sm(Fe,V)12 alloys, and a breakthrough reduction-diffusion synthesis of Sm1-xZrx(Fe0.8Co0.2)11.2Ti0.8 single-crystal particles with a coercivity as high as 12.6 kOe. Several experiments aimed at improvement of the Nd-Fe-B magnet have also been undertaken including a five-fold increase of the coercivity through a grain-boundary diffusion treatment of a Nd10Fe84B6 nanocrystalline alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Lambda-PFLOTRAN 1.0: a workflow for incorporating organic matter chemistry informed by ultra high resolution mass spectrometry into biogeochemical modeling

Abstract. Organic matter (OM) composition plays a central role in microbial respiration of dissolved organic matter and subsequent biogeochemical reactions. Here, a direct connection of organic matter chemistry and thermodynamics to reactive transport simulators has been achieved through the newly developed Lambda-PFLOTRAN workflow tool that succinctly incorporates carbon chemistry data generated from Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) into reaction networks to simulate organic matter degradation and the resulting biogeochemistry. Lambda-PFLOTRAN is a Python-based workflow, executed through a Jupyter notebook interface, that digests raw FTICR-MS data, develops a representative reaction network based on substrate-explicit thermodynamic modeling (also termed lambda modeling due to its key thermodynamic parameter λ used therein), and completes a biogeochemical simulation with the open source, reactive flow and transport code PFLOTRAN. The workflow consists of the following five steps: configuration, thermodynamic (lambda) analysis, sensitivity analysis, parameter estimation, and simulation output and visualization. Two test cases are provided to demonstrate the functionality of the Lambda-PFLOTRAN workflow. The first test case uses laboratory incubation data of temporal oxygen depletion to fit lambda parameters (i.e., maximum utilization rate and microbial carrying capacity). A slightly more complex second test case fits multiple lambda formulation and soil organic matter release parameters to temporal greenhouse gas generation measured during a soil incubation. Overall, the Lambda-PFLOTRAN workflow facilitates upscaling by using molecular-scale characterization to inform biogeochemical processes occurring at larger scales.

58 GEOSCIENCES↗
NASA NTRS1982

The kinetic chemistry of dense interstellar clouds

A model of the time-dependent chemistry of dense interstellar clouds is formulated to study the dominant chemical processes in carbon and oxygen isotope fractionation, the formation of nitrogen-containing molecules, and the evolution of product molecules as a function of cloud density and temperature. The abundances of the dominant isotopes of the carbon- and oxygen-bearing molecules are calculated. The chemical abundances are found to be quite sensitive to electron concentration since the electron concentration determines the ratio of H3(+) to He(+), and the electron density is strongly influenced by the metals abundance. For typical metal abundances and for H2 cloud density not less than 10,000 molecules/cu cm, nearly all carbon exists as CO at late cloud ages. At high cloud density, many aspects of the chemistry are strongly time dependent. Finally, model calculations agree well with abundances deduced from observations of molecular line emission in cold dense clouds.

Graedel, T. E.↗
NASA NTRS1990

Global nonlinear optimization of spacecraft protective structures design

The global optimization of protective structural designs for spacecraft subject to hypervelocity meteoroid and space debris impacts is presented. This nonlinear problem is first formulated for weight minimization of the space station core module configuration using the Nysmith impact predictor. Next, the equivalence and uniqueness of local and global optima is shown using properties of convexity. This analysis results in a new feasibility condition for this problem. The solution existence is then shown, followed by a comparison of optimization techniques. Finally, a sensitivity analysis is presented to determine the effects of variations in the systemic parameters on optimal design. The results show that global optimization of this problem is unique and may be achieved by a number of methods, provided the feasibility condition is satisfied. Furthermore, module structural design thicknesses and weight increase with increasing projectile velocity and diameter and decrease with increasing separation between bumper and wall for the Nysmith predictor.

Mog, R. A.↗
NASA NTRS2019

Improving Accuracy of Structural Dynamic Modification with Augmented Residual Vectors

It is often important to perform sensitivity analysis to determine how a structural model will be impacted by design changes. Often, the structural analysts will manually make changes to the finite element model (FEM) to determine the effects. But when dealing with a large FEM with millions of degrees of freedom these manual changes can be cumbersome and calculation of the effects can computationally expensive. Therefore, it is desirable to determine the effects of model changes through approximation methods. One common technique is to determine the analytical sensitivity of the FEM model with respect to the given change. These analytical sensitivities are valid when small changes are made to the structural model, but invalid if large changes need to be assessed. Another approach is to use Structural Dynamic Modification (SDM) to create a surrogate model to analyze model changes. SDM is a widely-used sensitivity method and is used in applications of model updating, uncertainty quantification, and model design studies. SMD is valid for moderate (10-20 percent) changes in the structural model, but model approximations are often needed for large parameter changes (greater than 20 percent). Structural Dynamic Modification can be improved by using residual vectors to augment the surrogate model formulation from SDM. Adding the residual modes increases the fidelity of the surrogate model while keeping the computational cost low. This paper discusses the application and limitations of the augmented residual modes method to two structures: the Integrated Spacecraft and Payload Element (ISPE) of the Space Launch System (SLS) and the full SLS as it is configured during its Integrated Modal Test (IMT).

Stewart, Eric C.↗
NASA NTRS1979

A review of the application of nonattenuating frequency radars for estimating rain attenuation and space-diversity performance

Cumulative rain fade statistics are used by space communications engineers to establish transmitter power and receiver sensitivities for systems operating under various geometries, climates, and radio frequencies. Space-diversity performance criteria are also of interest. This work represents a review, in which are examined the many elements involved in the employment of single nonattenuating frequency radars for arriving at the desired information. The elements examined include radar techniques and requirements, phenomenological assumptions, path attenuation formulations and procedures, as well as error budgeting and calibration analysis. Included are the pertinent results of previous investigators who have used radar for rain-attenuation modeling. Suggestions are made for improving present methods.

Goldhirsh, J.↗
NASA NTRS2015

Microstructural Influence on Deformation and Fatigue Life of Composites Using the Generalized Method of Cells

A fully coupled deformation and damage approach to modeling the response of composite materials and composite laminates is presented. It is based on the semi-­‐analytical generalized method of cells (GMC) micromechanics model as well as its higher fidelity counterpart, HFGMC, both of which provide closed-form constitutive equations for composite materials as well as the micro scale stress and strain fields in the composite phases. The provided constitutive equations allow GMC and HFGMC to function within a higher scale structural analysis (e.g., finite element analysis or lamination theory) to represent a composite material point, while the availability of the micro fields allow the incorporation of lower scale sub­‐models to represent local phenomena in the fiber and matrix. Further, GMC's formulation performs averaging when applying certain governing equations such that some degree of microscale field accuracy is surrendered in favor of extreme computational efficiency, rendering the method quite attractive as the centerpiece in a integrated computational material engineering (ICME) structural analysis; whereas HFGMC retains this microscale field accuracy, but at the price of significantly slower computational speed. Herein, the sensitivity of deformation and the fatigue life of graphite/epoxy PMC composites, with both ordered and disordered microstructures, has been investigated using this coupled deformation and damage micromechanics based approach. The local effects of fiber breakage and fatigue damage are included as sub‐models that operate on the microscale for the individual composite phases. For analysis of laminates, classical lamination theory is employed as the global or structural scale model, while GMC/HFGMC is embedded to operate on the microscale to simulate the behavior of the composite material within each laminate layer. A key outcome of this study is the statistical influence of microstructure and micromechanics idealization (GMC or HFGMC) on the overall accuracy of unidirectional and laminated composite deformation and fatigue response.

Microscale Models↗
DOE OSTI2022

Hydropower flexibility valuation tool for flow requirement evaluation

Timing of generation is becoming more and more valuable. This creates greater potential tension between environmental and power system objectives since both systems require their own flow patterns. Identifying win–win outcomes in this context requires being able to discuss the value of flexibility across stakeholder groups. This research proposes a two-stage optimization method to understand hydropower flexibility to meet both environmental and power system requirements. The tool simulates the two-settlement market process in the U.S. by maximizing revenues from both the day-ahead and real-time markets, subject to plant operational limits, regulatory flow and ramping requirements, and uncertainties associated with water availability and market prices. The model is formulated as linear programming problems and solved using IBM ILOG CPLEX optimizer. By examining a range of flow requirements, ramping constraints, and storage capacities, the proposed tool shows how to make more informed decisions to weigh the cost of specific flow requirements in the context of the overall license requirements. Results from the case study show that revenue is more sensitive to the ramping constraints than the minimum flow constraints. We also demonstrate that removing flow constraints in a dry month increases monthly revenue by up to 118%, as opposed to only 1% in a wet month. In addition, our results suggest that using a learning-based water flow forecast results in an increase of monthly revenue up to 6.4% compared with persistence forecast.

13 HYDRO ENERGY↗
DOE OSTI2024

A fast, matrix-based method to perform omnidirectional pressure integration

Abstract Experimentally-measured pressure fields play an important role in understanding many fluid dynamics problems. Unfortunately, pressure fields are difficult to measure directly with non-invasive, spatially resolved diagnostics, and calculations of pressure from velocity have proven sensitive to error in the data. Omnidirectional line integration methods are usually more accurate and robust to these effects as compared to implicit Poisson equations, but have seen slower uptake due to the higher computational and memory costs, particularly in 3D domains. This paper demonstrates how omnidirectional line integration approaches can be converted to a matrix inversion problem. This novel formulation uses an iterative approach so that the boundary conditions are updated each step, preserving the convergence behavior of omnidirectional schemes while also keeping the computational efficiency of Poisson solvers. This method is implemented in Matlab and also as a GPU-accelerated code in CUDA-C++. The behavior of the new method is demonstrated on 2D and 3D synthetic and experimental data. Three-dimensional grid sizes of up to 125 million grid points are tractable with this method, opening exciting opportunities to perform volumetric pressure field estimation from 3D PIV measurements.

42 ENGINEERING↗
DOE OSTI2025

Oscillation Risks of Grid-Following and Grid-Forming Inverter-Based Resources in Series-Compensated Networks

Here, this paper investigates the dynamic behavior of a grid-connected inverter-based resource (IBR) when connected radially to a series compensated line. Potential interactions between the series compensation and the IBR have been identified for both types: grid-following (GFL) or grid-forming (GFM). The study begins with electromagnetic transient (EMT) simulations to demonstrate stability issues. Subsequently, nonlinear analytical models are formulated in the dq frame, validated against the EMT simulation, and leveraged to assess eigenvalues and participation factors. Influencing factors of the dominant oscillation modes have been identified. The analysis results show that series compensation may make a mode associated with the synchronization unit unstable. Furthermore, customized feedback systems are built for the synchronizing loop. Series compensation can increase the sensitivity of the voltage phase angle towards the synchronizing angle, and introduce phase lag in the real power response towards the synchronizing angle. These factors may cause interactions with the phase-locked loop in GFL-IBR systems and with power-based synchronization in GFM-IBR systems, potentially leading to instability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1975

Sequential Least-Squares Using Orthogonal Transformations

Square root information estimation, starting from its beginnings in least-squares parameter estimation, is considered. Special attention is devoted to discussions of sensitivity and perturbation matrices, computed solutions and their formal statistics, consider-parameters and consider-covariances, and the effects of a priori statistics. The constant-parameter model is extended to include time-varying parameters and process noise, and the error analysis capabilities are generalized. Efficient and elegant smoothing results are obtained as easy consequences of the filter formulation. The value of the techniques is demonstrated by the navigation results that were obtained for the Mariner Venus-Mercury (Mariner 10) multiple-planetary space probe and for the Viking Mars space mission.

Bierman, G. J.↗
DOE OSTI2020

Implementation and Verification of Cable Bending Stiffness in MoorDyn: Preprint

Cable bending stiffness capabilities have been added to MoorDyn to enable modeling of dynamic power cables. The relatively large motions experienced by floating wind turbines and wave energy converters pose a challenge for power cables, whose internal components provide significant bending resistance and are sensitive to deformation. The behavior and associated design considerations of power cables in these highly dynamic applications make coupled analysis relevant for design. MoorDyn is a lumped-mass mooring dynamics model that is used for floating wind energy simulation (often coupled with OpenFAST) and floating wave energy converter simulation (often coupled with WEC-Sim). Its existing line elasticity formulation considers axial stiffness only. To properly capture the dynamics of power cables, a cable bending stiffness model has been added that approximates cable curvature based on the difference in tangent vectors of adjacent line elements. The resulting bending moment is realized by applying forces on adjacent nodes, leaving the underlying lumped-mass formulation unchanged. The bending stiffness implementation is verified in static conditions against analytical solutions and then in a dynamic power cable scenario in comparison with OrcaFlex. The dynamic scenario uses prescribed motions and includes wave loadings on the cable. Results indicate correct implementation of bending stiffness and show close agreement with OrcaFlex.

50 EE - Wind and Water Power Program - Water (EE-4↗
DOE OSTI2025

Characterization of 6 Li-loaded pulse-shape-discriminating plastic scintillators

Lithium-loaded organic plastic scintillators combine sensitivity to γ rays with the ability to detect both fast and slow neutrons, making them valuable for applications in nuclear security and in basic nuclear and particle physics. The goal of this work is to characterize the neutron response of two custom lithium-loaded organic plastic scintillators developed at Lawrence Livermore National Laboratory. Both are ternary polystyrene-based formulations containing 1.5 wt.% 6 Li salts of isobutyric acid, but they differ in their primary and secondary dye compositions: one uses m-terphenyl as the primary fluor and with Exalite 404 as the wavelength shifter, whereas the other uses 2,5-diphenyloxazole (PPO) and 9,10-diphenyl-anthracene, respectively. The temporal response of the scintillators was measured via time-correlated single photon counting for γ-ray and neutron events. The proton light yield was measured using the double time-of-flight technique from 1.3 to 15 MeV at the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory. For the slow neutron response, an AmBe source moderated with polyethylene was used, and the light output from the 6 Li(n,α)t reaction was characterized. Differences in ionization quenching and temporal response were observed between the two materials with the PPO-containing scintillator exhibiting higher ionization quenching. These results provide performance benchmarks that can guide the design and optimization of future lithium-loaded plastic scintillators for use in basic science and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗