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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 523 records · Page 29

DARPA/AFRL/NASA Smart Wing Second Wind Tunnel Test Results

To quantify the benefits of smart materials and structures adaptive wing technology, Northrop Grumman Corp. (NGC) built and tested two 16% scale wind tunnel models (a conventional and a "smart" model) of a fighter/attack aircraft under the DARPA/AFRL/NASA Smart Materials and Structures Development - Smart Wing Phase 1. Performance gains quantified included increased pitching moment (C(sub M)), increased rolling moment (C(subl)) and improved pressure distribution. The benefits were obtained for hingeless, contoured trailing edge control surfaces with embedded shape memory alloy (SMA) wires and spanwise wing twist effected by SMA torque tube mechanisms, compared to conventional hinged control surfaces. This paper presents an overview of the results from the second wind tunnel test performed at the NASA Langley Research Center s (LaRC) 16ft Transonic Dynamic Tunnel (TDT) in June 1998. Successful results obtained were: 1) 5 degrees of spanwise twist and 8-12% increase in rolling moment utilizing a single SMA torque tube, 2) 12 degrees of deflection, and 10% increase in rolling moment due to hingeless, contoured aileron, and 3) demonstration of optical techniques for measuring spanwise twist and deflected shape.

Scherer, L. B.↗

Microstructures and mechanical properties of a modified 9Cr ferritic-martensitic steel in the as-built condition after additive manufacturing

A newly developed nano-structured high-Mn 9Cr ferritic-martensitic (FM) steel designed for additive manufacturing (Additive-manufactured Nanostructured Alloy, ANA) was fabricated via the direct energy deposition method. The as-printed ANA2 showed tensile properties (strength and elongation) and Charpy impact toughness (upper-shelf energy and ductile-brittle transition temperature) comparable to oxide-dispersion-strengthened (ODS) Eurofer and PM2000. Compared with wrought P91, the as-built ANA2 showed significantly higher yield strength but inferior Charpy impact toughness and ductility. Microstructural characterization revealed uniformly distributed sub-micron pores, an extremely high dislocation density, and a high density of ultrafine nano-structured precipitates in the matrix. The microstructures indicated the dislocations as the dominant strengthening element and the ultrafine precipitates as the primary contribution to estimated irradiation sink density. This work demonstrates the ability to exploit the unique consolidation properties of additive manufacturing to fabricate steels which marry the benefits of both ODS alloys and conventionally processed FM steels.

36 MATERIALS SCIENCE↗

Prediction of Material Properties of Nanostructured Polymer Composites Using Atomistic Simulations

Atomistic models of epoxy polymers were built in order to assess the effect of structure at the nanometer scale on the resulting bulk properties such as elastic modulus and thermal conductivity. Atomistic models of both bulk polymer and carbon nanotube polymer composites were built. For the bulk models, the effect of moisture content and temperature on the resulting elastic constants was calculated. A relatively consistent decrease in modulus was seen with increasing temperature. The dependence of modulus on moisture content was less consistent. This behavior was seen for two different epoxy systems, one containing a difunctional epoxy molecule and the other a tetrafunctional epoxy molecule. Both epoxy structures were crosslinked with diamine curing agents. Multifunctional properties were calculated with the nanocomposite models. Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between the carbon nanotube and the surrounding epoxy matrix. These estimated values were used in a multiscale model in order to predict the thermal conductivity of a nanocomposite as a function of the nanometer scaled molecular structure.

Hinkley, J.A.↗

Interface properties and built-in potential profile of a LaCr O 3 / SrTi O 3 superlattice determined by standing-wave excited photoemission spectroscopy

LaCrO 3 (LCO)/SrTiO 3 (STO) heterojunctions are intriguing due to a polar discontinuity along [001], exhibiting two distinct and controllable charged interface structures [(LaO) + /(TiO 2 ) 0 and (SrO) 0 /(CrO 2 ) - ] with induced polarization, and a resulting depth-dependent potential. In this study, we have used soft- and hard-x-ray standing-wave excited photoemission spectroscopy (SW-XPS) to quantitatively determine the elemental depth profile, interface properties, and depth distribution of the polarization-induced built-in potentials. We observe an alternating charged interface configuration: a positively charged (LaO) + /(TiO 2 ) 0 intermediate layer at the LCO top /STO bottom interface and a negatively charged (SrO) 0 /(CrO 2 ) - intermediate layer at the STO top /LCO bottom interface. Using core-level SW data, we have determined the depth distribution of species, including through the interfaces, and these results are in excellent agreement with scanning transmission electron microscopy and electron energy-loss spectroscopy mapping of local structure and composition. SW-XPS also enabled deconvolution of the LCO and STO contributions to the valence-band (VB) spectra. Using a two-step analytical approach involving first SW-induced core-level binding-energy shifts and then VB modeling, the variation in potential across the complete superlattice is determined in detail. As a result, this potential is in excellent agreement with density functional theory models, confirming this method as a generally useful tool for interface studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Design and implementation of active members for precision space structures

This paper describes the development and implementation of an active member in a precision truss structure. The active member utilizes a piezoelectric actuator motor imbedded in a steel case with built-in displacement sensor. This active member is used in structural quieting. Collocated active damping control loops are designed in order to impedance match piezoelectric active members to the structure. Results from application of these controllers and actuators to the JPL Phase B testbed are given.

Webster, M. S.↗

Selective laser sintering of MA956 oxide dispersion strengthened steel

Oxide Dispersion Strengthened (ODS) steels’ qualities of radiation damage resistance and high strength at high temperature make them promising nuclear structural materials. However, the dispersed yttria that gives ODS steel its beneficial qualities are generally compromised during joining processes, making fabrication difficult and expensive. The selective laser sintering process offers a potential path through this barrier by which net-shape parts can feasibly be built via additive manufacturing without fully melting the structure. By rastering a 400 W laser over a MA956 ODS steel powder bed, here we additively built parts with varying build conditions. Although density was achieved to within 97% of the wrought MA956, ultimate tensile strengths achieved only 65% of the wrought strength. Spectroscopy analysis points to the agglomeration of the yttria nano-particles as a possible explanation for the loss in strength. Further study might benefit from exploration of other parameters such as thinner powder build layers which would require less energy input to achieve sintering while minimizing time above the melting temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The role of cellular structure, non-equilibrium eutectic phases and precipitates on quasi-static strengthening mechanisms of as-built AlSi10Mg parts 3D printed via laser powder bed fusion

The quasi-static loading strengthening mechanism in the as-built state of an AlSi10Mg alloy 3D-printed via Laser Powder Bed Fusion (LPBF) was thoroughly identified and quantified using state-of-the-art electron microscopy and synchrotron X-ray diffraction techniques. The yield strength was comprehensively modelled through an in-depth characterization and quantification of the microstructural features as well as their effective volumes for strengthening. In particular, the non-equilibrium eutectic network was characterized with a two-fold structure: cell boundary particles as well as intracellular lamellar/fibrous networks, each consisting of discrete phases exhibiting a thru-thickness compositional gradient, a semi-coherent interface with the matrix and an abundance of crystal defects such as nano-sized sub-grains, microstrains and stacking faults. Further, these altogether made the eutectic phase the most potent contributor to the yield strength accounting for ~30–40% of the estimated value (i.e., cell boundary and eutectic network strengthening combined). Precipitates strengthening was identified as the second most potent mechanism via a shearing process only. Moreover, the presented methodology was able to capture the effect of LPBF processing variables on the individual strengthening contributions, e.g., the effect of a lower laser scanning speed on increasing the cell size as well as the mean precipitate size, which are shown to exhibit opposing impacts on strengthening.

36 MATERIALS SCIENCE↗

X-ray Intermolecular Structure Factor (XISF): separation of intra- and intermolecular interactions from total X-ray scattering data

XISF is a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained. XISF has been optimized for performance and can separate intermolecular structure factors of complex molecules.

MATLAB↗

Artificial Intelligence Application to D and D - 20492

As aging facilities across the DOE complex await decommissioning, there is an ongoing need to understand any changes in the structural conditions. Many of these facilities were built over 50 years ago and, in some cases, these facilities have gone beyond the expected operational lifetime. Many facilities have been placed in a state of 'cold and dark,' sitting unused and awaiting decommissioning. Especially challenging are the aging facilities that provide unique operational/production capabilities to support critical DOE missions and cannot be shut down. In any of these scenarios, the structural integrity of these facilities may become compromised as time passes. It is critical that adequate inspections be performed on a continual basis and that the data collected undergoes sufficient analysis to support timely identification of any new or worsening structural issues as well as prompt needed maintenance and repairs to maintain the facilities in a safe condition. In recent days, Artificial Intelligence (AI) [1] and its application to various domains are growing at fast speed. FIU is performing research in this area and exploring the associated technologies to solve nuclear decommissioning problems. Artificial intelligence refers to the capability of a program to autonomously act, react and adapt to the working environment. AI enables the machine to behave like humans and perform the cognitive functions such as 'learning' and 'problem solving'. AI systems gradually moving from traditional approaches (algorithms and expert systems) towards more efficient and advanced technologies (machine learning [1] and deep learning [2] [3]). AI is the study of algorithms and statistical models that is being used by computers to perform specific tasks without using explicit instructions. FIU is working to develop a pilot-scale infrastructure to implement structural health monitoring using AI technologies with focus on machine learning, deep learning. This research is focused on Computer Vision/Image Classification area of AI applications. This can also be expanded to other areas of AI related to Object Recognition and Character Recognition in images. In addition to utilizing existing data sets, FIU will collect and investigate image and video data using FIU test-bed mockups to monitor structural health of the facility. Resulting data will be processed and analyzed using machine learning/deep learning technologies. The proposed pilot system is intended to serve as a starting point to engage the DOE field sites on related data sets and their decision making needs. It is anticipated that proposed machine learning/deep learning technologies can be effectively employed using anomaly detection to solve EM challenges in surveillance and maintenance of the D and D facilities. FIU will work with research stakeholders to identify applications at various sites and other DOE facilities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Apollo experience report: Lunar module structural subsystem

In the Apollo Program, the lunar-orbit rendezvous mode was used for the lunar-landing mission. To accomplish the lunar landing, a lunar module spacecraft was built. A description of the design requirements for the structural subsystem and of the structural configuration and the method of design verification are given. A discussion is presented of several problems encountered and the corrective actions taken during the designing, manufacturing, and testing of the lunar module.

Weiss, S. P.↗

Experimental collaboration for thick concrete structures with alkali-silica reaction

Alkali-Silica Reaction (ASR) is a reaction that occurs over time in concrete between alkaline cement paste and reactive, non-crystalline silica in aggregates. An expansive gel is formed within the aggregates which results in micro-cracks in aggregates and adjacent cement paste. The reaction requires the presence of water and has been predominantly detected in groundwater-impacted portions of below grade structures, with limited impact to exterior surfaces in above grade structures. ASR can potentially affect concrete properties and performance characteristics such as compressive strength, modulus of elasticity, shear strength, and tensile strength. Since ASR degradation often takes significant amounts of time, developing ASR detection techniques is important to the sustainability and extended operation lifetimes of nuclear power plants (NPPs). The University of Tennessee, Knoxville (UTK) in collaboration with Oak Ridge National Laboratory (ORNL) designed and built an experiment representative of typical NPP structures to study ASR in thick concrete structures.

Ezell, N Dianne Bull↗

Hydrogen Passivation of N(+)P and P(+)N Heteroepitaxial InP Solar Cell Structures

Dislocations and related point defect complexes caused by lattice mismatch currently limit the performance of heteroepitaxial InP cells by introducing shunting paths across the active junction and by the formation of deep traps within the base region. We have previously demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of such defects in specially designed heteroepitaxial InP test structures to probe hydrogen passivation at typical base depths within a cell structure. In this work, we present our results on the hydrogen passivation of actual heteroepitaxial n(+)p and p(+)n InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in the base regions of both n(+)p and p(+)n heteroepitaxial InP cell structures from as-grown values of 5 - 7 x 10(exp 14)/cc, down to 3 - 5 x 10(exp 12)/cc. All dopants were successfully reactivated by a 400 C, 5 minute anneal With no detectable activation of deep levels. I-V analysis indicated a subsequent approx. 100 fold decrease In reverse leakage current at -1 volt reverse bias, and an improved built in voltage for the p(+)n structures. ln addition to being passivated,dislocations are also shown to participate in secondary interactions during hydrogenation. We find that the presence of dislocations enhances hydrogen diffusion into the cell structure, and lowers the apparent dissociation energy of Zn-H complexes from 1.19 eV for homoepitaxial Zn-doped InP to 1.12 eV for heteroepitaxial Zn-doped InP. This is explained by additional hydrogen trapping at dislocations subsequent to the reactivation of Zn dopants after hydrogenation.

Chatterjee, B.↗

Hydrogen passivation of N(+)-P and P(+)-N heteroepitaxial InP solar cell structures

Dislocations and related point defect complexes caused by lattice mismatch currently limit the performance of heteroepitaxial InP cells by introducing shunting paths across the active junction and by the formation of deep traps within the base region. We have previously demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of such defects in specially designed heteroepitaxial InP test structures to probe hydrogen passivation at typical base depths within a cell structure. In this work, we present our results on the hydrogen passivation of actual heteroepitaxial n-p and p-n InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in the base regions of both n(+)-p and p(+)-n heteroepitaxial InP cell structures from as-grown values of 5-7 x 10(exp 14) cm(exp -3), down to 3-5 x 10(exp 12) cm(exp -3). All dopants were successfully reactivated by a 400 C, 5 minute anneal with no detectable activation of deep levels. One to five analysis indicated a subsequent approximately 100 fold decrease in reverse leakage current at -1 volt reverse bias, and an improved built in voltage for the p(+)-n structures. In addition to being passivated, dislocations are also shown to participate in secondary interactions during hydrogenation. We find that the presence of dislocations enhances hydrogen diffusion into the cell structure, and lowers the apparent dissociation energy of Zn-H complexes from 1.19 eV for homoepitaxial Zn-doped InP to 1.12 eV for heteroepitaxial Zn-doped InP. This is explained by additional hydrogen trapping at dislocations subsequent to the reactivation of Zn dopants after hydrogenation.

Chatterjee, Basab↗

Idea2Data: Toward a New Paradigm for Drug Discovery

Increasing the success rate and throughput of drug discovery will require efficiency improvements throughout the process that is currently used in the pharmaceutical community, including the crucial step of identifying hit compounds to act as drivers for subsequent optimization. Hit identification can be carried out through large compound collection screening and frequently involves the generation and testing of many hypotheses based on available knowledge. In practice, hypothesis generation can involve the selection of promising chemical structures from compound collections using predictive models built from previous screening/ assay results. Available physical collections, typically used during hit identification, are of the order of 10 6 compounds but represent only a small fraction of the small molecule drug-like chemical space. In an effort to survey a larger portion of chemical space and eliminate inefficiencies during hit identification, we introduce a new process, termed Idea2Data (I2D) that tightly integrates computational and experimental components of the drug discovery process. I2D provides the ability to connect a vast virtual collection of compounds readily synthesizable on automated synthesis systems with computational predictive models for the identification of promising structures. This new paradigm enables researchers to process billions of virtual molecules and select structures that can be prepared on automated systems and made available for biological testing, allowing for timely hypothesis testing and follow-up. Since its introduction, I2D has positively impacted several portfolio efforts through identification of new chemical scaffolds and functionalization of existing scaffolds. In this Innovations paper, we describe the I2D process and present an application for the discovery of new ULK inhibitors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Angle sensitive single photon avalanche diode

An ideal light sensor would provide exact information on intensity, timing, location, and angle of incoming photons. Single photon avalanche diodes (SPADs) provide such desired high (single photon) sensitivity with precise time information and can be implemented at a pixel-scale to form an array to extract spatial information. Furthermore, recent work has demonstrated photodiode-based structures (combined with micro-lenses or diffraction gratings) that are capable of encoding both spatial and angular information of incident light. In this letter, we describe the implementation of such a grating structure on SPADs to realize a pixel-scale angle-sensitive single photon avalanche diode (A-SPAD) built in a standard CMOS process. While the underlying SPAD structure provides high sensitivity, the time information of the two layers of diffraction gratings above offers angle-sensitivity. Such a unique combination of SPAD and diffraction gratings expands the sensing dimensions to pave a path towards lens-less 3-D imaging and light-field time-of-flight imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Spreadsheet Simulation Tool for Terrestrial and Planetary Balloon Design

During the early stages of new balloon design and development, it is necessary to conduct many trade studies. These trade studies are required to determine the design space, and aid significantly in determining overall feasibility. Numerous point designs then need to be generated as details of payloads, materials, mission, and manufacturing are determined. To accomplish these numerous designs, transient models are both unnecessary and time intensive. A steady state model that uses appropriate design inputs to generate system-level descriptive parameters can be very flexible and fast. Just such a steady state model has been developed and has been used during both the MABS 2001 Mars balloon study and the Ultra Long Duration Balloon Project. Using Microsoft Excel's built-in iteration routine, a model was built. Separate sheets were used for performance, structural design, materials, and thermal analysis as well as input and output sheets. As can be seen from figure 1, the model takes basic performance requirements, weight estimates, design parameters, and environmental conditions and generates a system level balloon design. Figure 2 shows a sample output of the model. By changing the inputs and a few of the equations in the model, balloons on earth or other planets can be modeled. There are currently several variations of the model for terrestrial and Mars balloons, as well there are versions of the model that perform crude material design based on strength and weight requirements. To perform trade studies, the Visual Basic language built into Excel was used to create an automated matrix of designs. This trade study module allows a three dimensional trade surface to be generated by using a series of values for any two design variables. Once the fixed and variable inputs are defined, the model automatically steps through the input matrix and fills a spreadsheet with the resulting point designs. The proposed paper will describe the model in detail, including current variations. The assumptions, governing equations, and capabilities will be addressed. Detailed examples of the model in practice will also be used.

Raquea, Steven M.↗

Wavelength-Dependent Excitonic Properties of Covalent Organic Frameworks Explored by Theory and Experiments

Many aspects of the correlation between physical structure, light harvesting, and excitonic properties of covalent organic frameworks (COFs) remain unclear despite being key properties determining their photocatalytic function. One area of COF research that could bring clarity is through using both electronic structure theory and time-resolved spectroscopic analysis over a series of isomeric COFs. Here, we show structure-property relationships between four imine COFs built from a combination of ditopic and tritopic monomers using transient absorption spectroscopy together with time-dependent density functional theory. We find that monomer selection only moderately affects the charge transfer (CT) behavior of the COFs. Instead, we infer that imine chemistry profoundly impacts CT by acting as a CT mediator. Moreover, we discover two distinct valence bands arising from varying degrees of locally excited/CT mixing, which is responsible for energy dependent exciton dynamics. Finally, we use theory to hypothesize that interlayer interactions can modify excitonic properties that we correlate with tail states commonly observed, but rarely investigated in COFs. Furthermore, these results reveal that imine chemistry should be recognized as a very important factor to consider in the development of COF photocatalysts and the correlation of their structural environment with light harvesting and CT properties that should ultimately determine their photocatalytic function.

14 SOLAR ENERGY↗

Structural Similitude and Scaling Laws

Aircraft and spacecraft comprise the class of aerospace structures that require efficiency and wisdom in design, sophistication and accuracy in analysis and numerous and careful experimental evaluations of components and prototype, in order to achieve the necessary system reliability, performance and safety. Preliminary and/or concept design entails the assemblage of system mission requirements, system expected performance and identification of components and their connections as well as of manufacturing and system assembly techniques. This is accomplished through experience based on previous similar designs, and through the possible use of models to simulate the entire system characteristics. Detail design is heavily dependent on information and concepts derived from the previous steps. This information identifies critical design areas which need sophisticated analyses, and design and redesign procedures to achieve the expected component performance. This step may require several independent analysis models, which, in many instances, require component testing. The last step in the design process, before going to production, is the verification of the design. This step necessitates the production of large components and prototypes in order to test component and system analytical predictions and verify strength and performance requirements under the worst loading conditions that the system is expected to encounter in service. Clearly then, full-scale testing is in many cases necessary and always very expensive. In the aircraft industry, in addition to full-scale tests, certification and safety necessitate large component static and dynamic testing. Such tests are extremely difficult, time consuming and definitely absolutely necessary. Clearly, one should not expect that prototype testing will be totally eliminated in the aircraft industry. It is hoped, though, that we can reduce full-scale testing to a minimum. Full-scale large component testing is necessary in other industries as well, Ship building, automobile and railway car construction all rely heavily on testing. Regardless of the application, a scaled-down (by a large factor) model (scale model) which closely represents the structural behavior of the full-scale system (prototype) can prove to be an extremely beneficial tool. This possible development must be based on the existence of certain structural parameters that control the behavior of a structural system when acted upon by static and/or dynamic loads. If such structural parameters exist, a scaled-down replica can be built, which will duplicate the response of the full-scale system. The two systems are then said to be structurally similar. The term, then, that best describes this similarity is structural similitude. Similarity of systems requires that the relevant system parameters be identical and these systems be governed by a unique set of characteristic equations. Thus, if a relation or equation of variables is written for a system, it is valid for all systems which are similar to it. Each variable in a model is proportional to the corresponding variable of the prototype. This ratio, which plays an essential role in predicting the relationship between the model and its prototype, is called the scale factor.

Simitses, George J.↗