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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Comparison of Structural Concepts for Transport Aircraft with a Tail Cone Turbine

An evaluation of three structural concepts for an advanced aircraft design with a tail cone turbine is presented. Structural models were developed using an innovative rapid finite element modeling tool called Conceptual Design Shop (CDS). CDS is an attempt to fill a gap in current finite element modeling software to automatically connect wings and tails to the fuselage with sufficient support structure in airframe models. For comparison with actual aircraft structures, a model of a transport aircraft design developed using CDS is compared with published structural weight data for a Boeing 737-200. A method for computing aerodynamic stability parameters from an MSC/NASTRAN finite element analysis output deck is also discussed. Finally, the weight effects for using a tail cone turbine in an advanced transport aircraft design are evaluated by comparing three composite structural models, for which component thicknesses and cross-sections are sized by the Hypersizer software.

Mason, Brian H.↗
NASA NTRS1987

Controller design via structural reduced modeling by FETM

The Finite Element-Transfer Matrix (FETM) method has been developed to reduce the computations involved in analysis of structures. This widely accepted method, however, has certain limitations, and does not address the issues of control design. To overcome these, a modification of the FETM method has been developed. The new method easily produces reduced models tailored toward subsequent control design. Other features of this method are its ability to: (1) extract open loop frequencies and mode shapes with less computations, (2) overcome limitations of the original FETM method, and (3) simplify the design procedures for output feedback, constrained compensation, and decentralized control. This report presents the development of the new method, generation of reduced models by this method, their properties, and the role of these reduced models in control design. Examples are included to illustrate the methodology.

Yousuff, Ajmal↗
NASA NTRS2020

An Observation‐Driven Approach to Improve Vegetation Phenology in a Global Land Surface Model

An empirical model calibration approach is presented that aims to approximate missing biosphere processes in a global land surface model without the need for substantial model structural changes. The strategy is implemented here using the NASA Catchment‐CN land surface model and Moderate Resolution Imaging Spectroradiometer (MODIS) observations of the fraction of absorbed photosynthetically active radiation (FPAR). Existing plant functional types (PFTs) of the Catchment‐CN model are divided into three subtypes, based on the bias between the model‐simulated and MODIS‐observed FPAR. Separate sets of vegetation parameters for each subtype are then calibrated at a small number of grid cells with homogeneous, single‐PFT land cover, using MODIS FPAR reference observations from 2003 to 2009. The effectiveness of the empirical approach at improving the realism of modeled vegetation dynamics is investigated with two global model simulations for the period 2010–2016, one using the newly calibrated parameter values and the other using the original values. Globally, the calibrated parameters reduce the root mean square error (RMSE) of the modeled FPAR with respect to MODIS by 0.029 (∼10%) on average. In some regions, substantially larger RMSE reductions are achieved. RMSE reductions are primarily driven by model bias reductions, with neutral effects on the temporal correlation skill. While the empirical approach is suitable for achieving consistent model improvements, it is shown to be sensitive to the characteristics of the model error, specifically a dominance of the bias component in the case of Catchment‐CN. Ultimately, more fundamental model structural changes may be required to achieve better improvements.

J. Kolassa↗
NASA NTRS1975

Orbital maneuvering engine feed system coupled stability investigation

A digital computer model used to analyze and predict engine feed system coupled instabilities over a frequency range of 10 to 1000 Hz was developed and verified. The analytical approach to modeling the feed system hydrodynamics, combustion dynamics, chamber dynamics, and overall engineering model structure is described and the governing equations in each of the technical areas are presented. This is followed by a description of the generalized computer model, including formulation of the discrete subprograms and their integration into an overall engineering model structure. The operation and capabilities of the engineering model were verified by comparing the model's theoretical predictions with experimental data from an OMS-type engine with a known feed system/engine chugging history.

Kahn, D. R.↗
DOE OSTI2015

Brickworx builds recurrent RNA and DNA structural motifs into medium- and low-resolution electron-density maps

A computer program that builds crystal structure models of nucleic acid molecules is presented. Brickworx is a computer program that builds crystal structure models of nucleic acid molecules using recurrent motifs including double-stranded helices. In a first step, the program searches for electron-density peaks that may correspond to phosphate groups; it may also take into account phosphate-group positions provided by the user. Subsequently, comparing the three-dimensional patterns of the P atoms with a database of nucleic acid fragments, it finds the matching positions of the double-stranded helical motifs (A-RNA or B-DNA) in the unit cell. If the target structure is RNA, the helical fragments are further extended with recurrent RNA motifs from a fragment library that contains single-stranded segments. Finally, the matched motifs are merged and refined in real space to find the most likely conformations, including a fit of the sequence to the electron-density map. The Brickworx program is available for download and as a web server at http://iimcb.genesilico.pl/brickworx.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

Development of a rotorcraft. Propulsion dynamics interface analysis, volume 1

The details of the modeling process and its implementation approach are presented. A generic methodology and model structure for performing coupled propulsion/rotor response analysis that is applicable to a variety of rotorcraft types was developed. A method for parameterizing the model structure to represent a particular rotorcraft is defined. The generic modeling methodology, the development of the propulsion system and the rotor/fuselage models, and the formulation of the resulting coupled rotor/propulsion system model are described. A test case that was developed is described.

Hull, R.↗
DOE OSTI2019

Pumped Storage Hydro Model Evaluation Report Task 1: Tool Assessment

Pumped storage hydro (PSH) projects support various aspects of power system operations. However, determining the value of PSH projects and the many services and contributions to the system they provide can be a challenge. The PSH techno-economic studies being carried out by a 5-lab consortium are defining extensive modeling approaches for evaluating the economic benefits of PSH projects. To enhance the impact of the valuation approach and follow-on techno-economic studies, Pacific Northwest National Laboratory (PNNL) will be developing a set of online tools that industry could adopt and use to advance PSH projects in the US. The problem is that the research team is not entirely clear on the features of the tools that would offer the most significant impact to industry. Thus, year one of this effort is designed to first define the needs of industry before developing the PSH valuation tool. The first step in defining industry needs is to evaluate existing tool packages, including those created by DOE and those by industry groups, to both measure usage levels and define tool attributes that maximize industry impact. The second step in this process will be to hold a workshop designed to elicit direct industry input. Given the breadth and nature of the task, which is to define ideal model attributes, the research team did not constrain the assessment to storage valuation tools. Several tools were assessed, and their characteristics compared against a list of “ideal” attributes that included ease of use, generalizability of results, and analytical flexibility. Information regarding usage and impact were then compared to specific model attributes to define which attributes appear to drive success. The following key lessons and implications can be drawn from the analysis: Models with high ease of use were often the most adopted by industry, though they did not necessarily have high publication reference records, meaning a published article made direct reference to the tool. For example, REScheck TM and COMcheck TM , two tools which share a site, have seen a high amount of web traffic and usage. Similarly, Storage Value Estimate Tool (StorageVET®), an energy storage valuation model, has a large number of organizations using it despite a low publication reference record. A common feature between these models is that they are web-hosted, theoretically making them more easily accessible with graphic user interfaces (GUIs) that are more navigable; Models with higher usage statistics were typically free and/or open source. While it may be unsurprising that this attribute could be considered a draw for users, there is the potential for overestimating the tool's value based on popularity due to the fact that some users may have used the model simply because it was free and not because it is the best model; Models that offer more in-depth analysis and a wide coverage of applications (e.g. VOLTTRON™, GridLAB-D™, and Integrated Valuation of Ecosystem Services and Tradeoffs (InVest)) have shown a high number of publication references as well as showing a high number of downloads in the case of GridLAB-D™. It should be noted that the figure below does not include the model with the highest number of publication references (EnergyPlus™) as it has been removed to show clearer distinction between the remaining tools; The most popular model within the evaluation list was EnergyPlus™. This tool has the highest number of publication references (2,034) of all models considered and contains both a high ease of use level as well as broad application flexibility. Its high usage may be correlated, however, with the presumed wider audience conducting energy consumption modeling compared to the audiences for some of the other tools in this list; Models that were low in both general usage and publication reference generally did not exhibit characteristics considered ideal by the research team. Some of these models offered a narrower range of analytical applications or lower generalizability of results. This would automatically restrict the pool of potential users to those who fall within a narrow range of specific technologies or applications. This report also explores two model structures for the PSH tool: decision tree-based, which would guide the user through the valuation methods defined in the PSH techno-economic studies currently being carried out by DOE, and an all-inclusive comprehensive model. The strengths of each were explored and a hybrid approach was defined that would embed a price taker model into the decision tree approach. Such an approach would provide a comprehensive approach for modeling small-scale PSH while recognizing the challenges associated with implementing a price-maker approach in an all-inclusive model. Insight gained in this analysis of other models can aid in narrowing down the list of effective and sought-after attributes, and in defining model structure. Next steps toward developing a model for storage valuation will be to gain direct industry input through workshops.

13 HYDRO ENERGY↗
DOE OSTI2015

Characterization of Oxygen Storage and Structural Properties of Oxygen-Loaded Hexagonal R MnO 3+δ ( R = Ho, Er, and Y)

Single-phase polycrystalline samples of stoichiometric RMnO3+delta (R = Er, Y, and Ho) were achieved in the hexagonal P6(3)cm structure through solid state reaction at, similar to 1300 degrees C. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger Ho and Y show rapid and reversible incorporation of large amounts of excess oxygen (0.3 > delta> 0) at an unusually low temperature range of similar to 190-325 degrees C, indicating the industrial usefulness of RMnO3+delta materials for lower cost thermal swing adsorption processes for oxygen separation from air. Further increase of the excess oxygen intake to delta similar to 0.38 was achieved for all the investigated materials when annealed under high pressures of oxygen. The formation of three oxygen stable phases with 6 = 0, 0.28, and 0.38 was confirmed by thermogravimetric measurements, synchrotron X-rays, and neutron diffraction. In situ synchrotron diffraction proved the thermal stability of these single phases and the regions of their creation and coexistence, and demonstrated that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. Structural modeling using neutron powder diffraction for oxygen excess phases describes the formation and details of a large R3c superstructure observed for HoMnO3.28 by tripling the c-axis of the original parent unit cell. Modeling of the RMnO3.38 (R = Y and Er) oxygen-loaded phase converged on a structural model consistent with the symmetry of Pca2(1).

Abughayada, C.↗
DOE OSTI2015

The growth of sulfur adlayers on Au(100)

We have studied the growth of S layers adsorbed on Au(100) with low-energy electron diffraction (LEED), X-ray photoemission spectra (XPS), and scanning tunneling microscope (STM). Three phases of S/Au(100)—(2 × 2), trimer, and c(2 × 4)—are identified; the latter two are not previously reported. A dose of S{sub 2} at 300 K transformed Au(100)-(5 × 20) initially into the (2 × 2) phase and formed the c(2 × 4) phase at a saturation coverage. The STM results show that monolayer Au islands formed during the initial S dose and remained throughout the growth, resulting in a rough c(2 × 4) surface. We show that a highly ordered c(2 × 4) phase can be obtained with a flat (2 × 2) phase as an intermediate step during growth. Based on the evolution of XPS and STM images with varied S{sub 2} dose, the components of S 2p are assigned and structural models for the various S/Au(100) phases are proposed. In the (2 × 2) phase, one S atom resides on a four-fold hollow site in each (2 × 2) unit cell, corresponding to a S coverage of 0.25 ML; in the trimer phase, three S atoms form a trimer residing on a four-fold hollow site in each (2 × 2) unit cell, corresponding to a S coverage of 0.75 ML; in the c(2 × 4) phase, there are five S atoms in each primitive unit cell of c(2 × 4); three of them form a trimer residing on a four-fold hollow site, and the other two form a dimer located on the top of the trimer, corresponding to a nominal S coverage of 1.25 ML. With the proposed structural models, the growth of S on Au(100) at 300 K is described in detail.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Thermo-physical and structural studies of sodium zinc borovanadate glasses in the region of high concentration of modifier oxides

Highlights: ► Highly modified sodium zinc borovanadate glasses. ► Structural model for borovanadate glasses. ► Network forming tendency of ZnO in borovanadate glasses. ► Fragility can be limited to NBO concentration in borovanadate glasses. -- Abstract: This paper reports investigation of Na{sub 2}O and ZnO modified borovanadate glasses in the highly modified regime of compositions. These glasses have been prepared by microwave route. Ultraviolet (UV) and visible, infrared (IR), Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) and Electron Paramagnetic Resonance (EPR) spectroscopies have been used to characterize the speciation in the glasses. Together with the variation of properties such as molar volume and glass transition temperatures, spectroscopic data indicate that at high levels of modification, ZnO tends to behave like network former. It is proposed that the observed variation of all the properties can be reasonably well understood with a structural model. The model considers that the modification and speciation in glasses are strongly determined by the hierarchy of group electronegativities. Further, it is proposed that the width of the transitions of glasses obtained under same condition reflects the fragility of the glasses. An empirical expression has been suggested to quantify fragility on the basis of width of the transition regions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

RNA target highlights in CASP15 : Evaluation of predicted models by structure providers

Abstract The first RNA category of the Critical Assessment of Techniques for Structure Prediction competition was only made possible because of the scientists who provided experimental structures to challenge the predictors. In this article, these scientists offer a unique and valuable analysis of both the successes and areas for improvement in the predicted models. All 10 RNA‐only targets yielded predictions topologically similar to experimentally determined structures. For one target, experimentalists were able to phase their x‐ray diffraction data by molecular replacement, showing a potential application of structure predictions for RNA structural biologists. Recommended areas for improvement include: enhancing the accuracy in local interaction predictions and increased consideration of the experimental conditions such as multimerization, structure determination method, and time along folding pathways. The prediction of RNA–protein complexes remains the most significant challenge. Finally, given the intrinsic flexibility of many RNAs, we propose the consideration of ensemble models.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

Accuracy problems associated with semi-analytical derivatives of static response

The semianalytical method is widely used for calculating derivatives of static response with respect to design variables for structures modeled by finite elements. This paper shows that the method can have serious accuracy problems for shape design variables in structures modeled by beam elements. The problem was first discovered in the analysis of a complex car model which is described. Next, it is shown that the same accuracy problem occurs for the simplest beam structures. Finally, the problem is shown to be associated with a high ratio of rigid body rotation to elastic deformation, and a test is developed to diagnose the severity of the problem in a given structure. Several examples are presented to show the validity of this test.

Barthelemy, Bruno↗
NASA NTRS2000

Analysis of MIR-18 results for physical and biological dosimetry: radiation shielding effectiveness in LEO

We compare models of radiation transport and biological response to physical and biological dosimetry results from astronauts on the Mir space station. Transport models are shown to be in good agreement with physical measurements and indicate that the ratio of equivalent dose from the Galactic Cosmic Rays (GCR) to protons is about 3/2:1 and that this ratio will increase for exposures to internal organs. Two biological response models are used to compare to the Mir biodosimetry for chromosome aberration in lymphocyte cells; a track-structure model and the linear-quadratic model with linear energy transfer (LET) dependent weighting coefficients. These models are fit to in vitro data for aberration formation in human lymphocytes by photons and charged particles. Both models are found to be in reasonable agreement with data for aberrations in lymphocytes of Mir crew members: however there are differences between the use of LET dependent weighting factors and track structure models for assigning radiation quality factors. The major difference in the models is the increased effectiveness predicted by the track model for low charge and energy ions with LET near 10 keV/micrometers. The results of our calculations indicate that aluminum shielding, although providing important mitigation of the effects of trapped radiation, provides no protective effect from the galactic cosmic rays (GCR) in low-earth orbit (LEO) using either equivalent dose or the number of chromosome aberrations as a measure until about 100 g/cm 2 of material is used.

Flight Experiment↗
NASA NTRS2002

Thermostructural Analysis of Carbon Cloth Phenolic Material Tested at the Laser Hardened Material Evaluation Laboratory

RSRM nozzle liner components have been analyzed and tested to explore the occurrence of anomalous material performance known as pocketing erosion. Primary physical factors that contribute to pocketing seem to include the geometric permeability, which governs pore pressure magnitudes and hence load, and carbon fiber high temperature tensile strength, which defines a material limiting capability. The study reports on the results of a coupled thermostructural finite element analysis of Carbon Cloth Phenolic (CCP) material tested at the Laser Hardened Material Evaluation Laboratory (the LHMEL facility). Modeled test configurations will be limited to the special case of where temperature gradients are oriented perpendicular to the composite material ply angle. Analyses were conducted using a transient, one-dimensional flow/thermal finite element code that models pore pressure and temperature distributions and in an explicitly coupled formulation, passes this information to a 2-dimensional finite element structural model for determination of the stress/deformation behavior of the orthotropic fiber/matrix CCP. Pore pressures are generated by thermal decomposition of the phenolic resin which evolve as a multi-component gas phase which is partially trapped in the porous microstructure of the composite. The nature of resultant pressures are described by using the Darcy relationships which have been modified to permit a multi-specie mass and momentum balance including water vapor condensation. Solution to the conjugate flow/thermal equations were performed using the SINDA code. Of particular importance to this problem was the implementation of a char and deformation state dependent (geometric) permeability as describing a first order interaction between the flow/thermal and structural models. Material property models are used to characterize the solid phase mechanical stiffness and failure. Structural calculations were performed using the ABAQUS code. Iterations were made between the two codes involving the dependent variables temperature, pressure and across-ply strain level. Model results comparisons are made for three different surface heat rates and dependent variable sensitivities discussed for the various cases.

Clayton, J. Louie↗
NASA NTRS1993

System identification of the JPL micro-precision interferometer truss - Test-analysis reconciliation

The JPL Micro-Precision Interferometer (MPI) is a testbed for studying the use of control-structure interaction technology in the design of space-based interferometers. A layered control architecture will be employed to regulate the interferometer optical system to tolerances in the nanometer range. An important aspect of designing and implementing the control schemes for such a system is the need for high fidelity, test-verified analytical structural models. This paper focuses on one aspect of the effort to produce such a model for the MPI structure, test-analysis model reconciliation. Pretest analysis, modal testing, and model refinement results are summarized for a series of tests at both the component and full system levels.

Red-Horse, J. R.↗
DOE OSTI2021

Partitioning uncertainty in projections of Arctic sea ice

Abstract Improved knowledge of the contributing sources of uncertainty in projections of Arctic sea ice over the 21st century is essential for evaluating impacts of a changing Arctic environment. Here, we consider the role of internal variability, model structure and emissions scenario in projections of Arctic sea-ice area (SIA) by using six single model initial-condition large ensembles and a suite of models participating in Phase 5 of the Coupled Model Intercomparison Project. For projections of September Arctic SIA change, internal variability accounts for as much as 40%–60% of the total uncertainty in the next decade, while emissions scenario dominates uncertainty toward the end of the century. Model structure accounts for 60%–70% of the total uncertainty by mid-century and declines to 30% at the end of the 21st century in the summer months. For projections of wintertime Arctic SIA change, internal variability contributes as much as 50%–60% of the total uncertainty in the next decade and impacts total uncertainty at longer lead times when compared to the summertime. In winter, there exists a considerable scenario dependence of model uncertainty with relatively larger model uncertainty under strong forcing compared to weak forcing. At regional scales, the contribution of internal variability can vary widely and strongly depends on the calendar month and region. For wintertime SIA change in the Greenland-Iceland-Norwegian and Barents Seas, internal variability contributes 60%–70% to the total uncertainty over the coming decades and remains important much longer than in other regions. We further find that the relative contribution of internal variability to total uncertainty is state-dependent and increases as sea ice volume declines. These results demonstrate that internal variability is a significant source of uncertainty in projections of Arctic sea ice.

Bonan, David B. (ORCID:0000000338676009)↗
DOE OSTI2025

Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS

The anaerobic bacterium Geobacter sulfurreducens produces extracellular, electronically conductive cytochrome polymer wires that are conductive over micron length scales. Structure models from cryo-electron microscopy data show OmcS wires form a linear chain of hemes along the protein wire axis, which is proposed as the structural basis supporting their electronic properties. However, the mechanism by which this heme arrangement supports long-range electronic conduction remains unknown. Structure models from cryo-electron microscopy data show these wires form a linear chain of hemes along the protein wire axis, which is proposed as the structural basis supporting their electronic properties. Existing computational models using static heme redox potentials and coupling energies fail to explain experimental observations, predicting conductances 10,000 to 100,000 times lower than measured values. Here, we investigate how dynamic disorder affects site energies, interheme coupling, and long-range electronic conductivity within these cytochrome wires. We introduce an approach to extract charge carrier site information directly from Kohn–Sham density functional theory, without employing projector schemes, and show that site and coupling energies are highly sensitive to changes in interheme geometry and the surrounding electrostatic environment. Unlike models that incorporate dynamic disorder as a thermally averaged quantity, our quantum charge carrier model incorporates proxies for dynamic disorder through decoherence corrections, yielding predicted diffusion coefficient closer to what is expected from experiment and comparable with other organic-based electronic materials. Based on these simulations, we propose that the instantaneous fluctuations of the local electrostatic environment can transiently lift energy degeneracies and delocalize charge carriers. Furthermore, these studies reveal how incorporating dynamic fluctuations associated with the environment resolves the discrepancy between theory and experiment in microbial cytochrome wires and highlight design principles for bioinspired, heme-based conductive materials.

Bioinorganic chemistry↗
DOE OSTI2015

Characterization of one-dimensional molecular chains of 4,4′-biphenyl diisocyanide on Au(111) by scanning tunneling microscopy

The morphology and electronic structure of vapor deposited 4,4′-biphenyldiisocyanide (BPDI) on a Au(111) surface were investigated using variable-temperature scanning tunneling microscopy. When deposited at room temperature, BPDI molecules form one-dimensional molecular chains similar to that recently observed for the structurally related 1,4-phenyl diisocyanide (PDI). Compared to PDI, the longer periodicity for the BPDI molecular chains is consistent with the addition of a second phenyl ring and supports a structural model in which the BPDI molecules lie parallel to the surface and interconnected by Au-adatoms. The molecular chains are mostly aligned along the [11{sup -}0] direction of the Au(111) substrate, but exhibit frequent changes in angle that are consistent with directions between fcc and hcp three-fold hollow sites. Dispersion-corrected density functional theory calculations for one-dimensional chains of BPDI molecules bound end-to-end via their isocyanide groups to Au-adatoms reproduce the observed periodicity of the chains and show that this morphology is energetically favored over upright binding with one free —NC group. The spatially resolved conductance (dI/dV) map for BPDI on Au(111) exhibits a feature centered at −0.67 eV below the Fermi level which are delocalized along the chain with maxima at the Au-adatom and biphenyl positions. This occupied resonant feature is close to that previously observed for the PDI in both photoemission and conductance measurements and is attributed to an occupied interfacial state resulting from BPDI-Au interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗