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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 451 records · Page 25

Causal Analysis Report for Thunder Range Block VIII Test - Management Concern

From July 24th -27th, 2018, Sandia National Laboratories (SNL) was conducting a series of explosive tests (referred to as Block VIII Tests) at Thunder Range. Thunder Range is an explosive testing range located on Kirtland Air Force Base and operated by SNL. The testing occurred on Range 7, a fragmentation range that is authorized for activities up to a maximum of 2,000 pounds net explosive weight (NEW). The maximum NEW for the Block VIII tests was 114 lbs. The specific management concern is that although the Thunder Range team identified controls to provide protection for essential personnel, those controls were not adequately evaluated before testing occurred. There were several controls in place at Thunder Range when the block VW test was executed. Engineered controls including Fire Control Point (FCP) placement, FCP structure design, and administrative controls involving communications. These controls were in place but not thoroughly evaluated for adequacy in meeting requirements related to sound pressure and fragments before the test was executed. Compliance with the remaining requirements was achieved. The lack of evaluation did not result in harm to personnel, equipment, or structures but was deemed as an opportunity to further understand how compliance with DOE-STD-1212-2012 could be better achieved with defensible evidence. The information provided in the remainder of this report discusses these controls and the deficiencies that contributed to this management concern.

42 ENGINEERING↗

Photon sorting in the near field using subwavelength cavity arrays in the near-infrared

A frequency selective metasurface capable of sorting photons in the near-infrared spectral range is designed, fabricated, and characterized. The metasurface, a periodic array of dielectric cylindrical cavities in a gold film, localizes and transmits light of two spectral frequency bands into spatially separated cavities, resulting in near-field light splitting. The design and fabrication methodologies of the metasurface are discussed. The transmittance and photon sorting properties of the designed structure is simulated numerically and the measured transmission is presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Aligned-SWCNT film laminated nanocomposites: Role of the film on mechanical and electrical properties

Here in this study, well-aligned single-walled carbon nanotube (SWCNT) films were utilized as lamellae to prepare a multifunctional nanocomposite by a feasible ‘layer-by-layer’ preparation method. This structural design can not only dramatically reduce the agglomeration effect of SWCNTs, but also achieve high in-plane stiffness. It was found that the well-aligned SWCNT films contribute to the high stress-transfer between CNTs and present good wettability with epoxy matrix, thereby improving the mechanical enhancement. Interestingly, this laminated structure possesses distinct electrical behaviors under different loading conditions. The electrical resistance linearly increases with the increase of in-plane tensile strain but is insensitive to bending. This work could provide in-depth understanding on the mechanical and electrical properties of CNT-based laminated nanocomposites.

36 MATERIALS SCIENCE↗

Importance of the DNA “bond” in programmable nanoparticle crystallization

If a solution of DNA-coated nanoparticles is allowed to crystallize, the thermodynamic structure can be predicted by a set of structural design rules analogous to Pauling's rules for ionic crystallization. The details of the crystallization process, however, have proved more difficult to characterize as they depend on a complex interplay of many factors. Here, we report that this crystallization process is dictated by the individual DNA bonds and that the effect of changing structural or environmental conditions can be understood by considering the effect of these parameters on free oligonucleotides. Specifically, we observed the reorganization of nanoparticle superlattices using time-resolved synchrotron small-angle X-ray scattering in systems with different DNA sequences, salt concentrations, and densities of DNA linkers on the surface of the nanoparticles. The agreement between bulk crystallization and the behavior of free oligonucleotides may bear important consequences for constructing novel classes of crystals and incorporating new interparticle bonds in a rational manner.

colloidal crystallization↗

Modular Homogeneous Chromophore–Catalyst Assemblies

Photosynthetic reaction center (RC) proteins convert incident solar energy to chemical energy through a network of molecular cofactors which have been evolutionarily tuned to couple efficient light-harvesting, directional electron transfer, and long-lived charge separation with secondary reaction sequences. These molecular cofactors are embedded within a complex protein environment which precisely positions each cofactor in optimal geometries along efficient electron transfer pathways with localized protein environments facilitating sequential and accumulative charge transfer. By contrast, it is difficult to approach a similar level of structural complexity in synthetic architectures for solar energy conversion. However, by using appropriate self-assembly strategies, we anticipate that molecular modules, which are independently synthesized and optimized for either light-harvesting or redox catalysis, can be organized into spatial arrangements that functionally mimic natural photosynthesis. In this Account, we describe a modular approach to new structural designs for artificial photosynthesis which is largely inspired by photosynthetic RC proteins. We focus on recent work from our lab which uses molecular modules for light-harvesting or proton reduction catalysis in different coordination geometries and different platforms, spanning from discrete supramolecular assemblies to molecule–nanoparticle hybrids to protein-based biohybrids. Molecular modules are particularly amenable to high-resolution characterization of the ground and excited state of each module using a variety of physical techniques; such spectroscopic interrogation helps our understanding of primary artificial photosynthetic mechanisms. In particular, we discuss the use of transient optical spectroscopy, EPR, and X-ray scattering techniques to elucidate dynamic structural behavior and light-induced kinetics and the impact on photocatalytic mechanism. Two different coordination geometries of supramolecular photocatalyst based on the [Ru(bpy)3]2+ (bpy = 2,2'-bipyridine) light-harvesting module with cobaloxime-based catalyst module are compared, with progress in stabilizing photoinduced charge separation identified. These same modules embedded in the small electron transfer protein ferredoxin exhibit much longer charge-separation, enabled by stepwise electron transfer through the native [2Fe-2S] cofactor. We anticipate that the use of interchangeable, molecular modules which can interact in different coordination geometries or within entirely different structural platforms will provide important fundamental insights into the effect of environment on parameters such as electron transfer and charge separation, and ultimately drive more efficient designs for artificial photosynthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of quantum well growth temperature on the recombination efficiency of InGaN/GaN multiple quantum wells that emit in the green and blue spectral regions

InGaN-based light emitting diodes and multiple quantum wells designed to emit in the green spectral region exhibit, in general, lower internal quantum efficiencies than their blue-emitting counter parts, a phenomenon referred to as the “green gap.” One of the main differences between green-emitting and blue-emitting samples is that the quantum well growth temperature is lower for structures designed to emit at longer wavelengths, in order to reduce the effects of In desorption. In this paper, we report on the impact of the quantum well growth temperature on the optical properties of InGaN/GaN multiple quantum wells designed to emit at 460 nm and 530 nm. It was found that for both sets of samples increasing the temperature at which the InGaN quantum well was grown, while maintaining the same indium composition, led to an increase in the internal quantum efficiency measured at 300 K. These increases in internal quantum efficiency are shown to be due reductions in the non-radiative recombination rate which we attribute to reductions in point defect incorporation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

One-way acoustic mirror based on anisotropic zero-index media

We have designed a one-way acoustic mirror comprising anisotropic zero-index media. For acoustic beam incident at a particular angle, the designed structure behaves like a high-efficient mirror that redirects almost all the incident energy into another direction predicted by the Snell's law, while becoming virtually transparent to beams propagating reversely along this output path. Furthermore, the mirror can be tailored to work at arbitrary incident angle by simply adjusting its geometry. Our design, with undirectional reflection functionality and flexible working angle, may offer possibilities in space isolations and have deep implication in various scenarios like ultrasound imaging or noise control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Feature Extraction for Pipeline Defects Inspection Based Upon Distributed Acoustic Fiber Optic Sensing Data

Fiber-optic distributed acoustic sensing (DAS) is becoming an increasingly important tool for real-time monitoring of energy and civil infrastructure structural health such as pipelines. We present a systematic theoretical study of the potential for DAS to be directly coupled with guided ultrasonic waves typically used in conventional acoustic non-destructive evaluation (NDE) methods for real-time pipeline health monitoring. We are referring to this innovative new NDE technique as ultrasonic guided wave and optical fiber sensor fusion. In the practical application of DAS coupled with guided ultrasonic waves, the structural design of (1) the specific guided waves excited, (2) the physical installation of the acoustic transducers and the fiber optic sensors, and (3) the functional performance specifications (gauge length, sensitivity, Etc.) of fiber optic DAS have an important influence on overall capabilities of the monitoring system. Meanwhile, physics-based analysis of acoustic waves is still a challenge due to the complex nature of the Lamb wave when it propagates, scatters, and disperses in the presence of structural defects. In this work, we simulate carbon steel pipes relevant for oil and gas pipeline applications with diameters of approximately 6-12” and wall thickness of 0.5” as the objects to be monitored. By establishing and implementing these capabilities, we seek to pursue an in-depth study on structural parameter optimization of DAS network, measurement range, and signal processing with an ultimate goal of increasing the sensitivity and efficacy of DAS to defect identification for various modes of corrosion expected in practice. To study the characteristics of scattered acoustic waves and performance of DAS for defect identification, we simulated the response of DAS for multiple pipe structures, defect types, and DAS sensor network configuration using finite element software Ansys, then the properties of signal response are extracted to construct defect-sensitive features. The raw data simulated, and the associated features extracted can ultimately be utilized as annotated training data to benchmark various designs for DAS applications, guided acoustic excitation sources, and learning model parameters to enhance early detection of potentially problematic defects.

Pipeline Defects Inspection, Fiber-optic sensors, ↗

Thermal Analysis of Fermilab Mu2e Beamstop and Structural Analysis of Beamline Components

The Mu2e project at Fermilab National Accelerator Laboratory aims to observe the unique conversion of muons to electrons. The success or failure of the experiment to observe this conversion will further the understanding of the standard model of physics. Using the particle accelerator, protons will be accelerated and sent to the Mu2e experiment, which will separate the muons from the beam. The muons will then be observed to determine their momentum and the particle interactions occur. At the end of the Detector Solenoid, the internal components will need to absorb the remaining particles of the experiment using polymer absorbers. Because the internal structure of the beamline is in a vacuum, the heat transfer mechanisms that can disperse the energy generated by the particle absorption is limited to conduction and radiation. To determine the extent that the absorbers will heat up over one year of operation, a transient thermal finite element analysis has been performed on the Muon Beam Stop. The levels of energy absorption were adjusted to determine the thermal limit for the current design. Structural finite element analysis has also been performed to determine the safety factors of the Axial Coupler, which connect and move segments of the beamline. The safety factor of the trunnion of the Instrument Feed Through Bulk Head has also been determined for when it is supporting the Muon Beam Stop. The results of the analysis further refine the design of the beamline components prior to testing, fabrication, and installation.

Narug, Colin S.↗

A High-Speed Z-Axis MEMS STM Nanopositioner

Scanning tunneling microscope (STM) is a powerful and versatile tool, not only capable of obtaining topographic information at atomic levels from a conductive surface, but also suited for patterning, manipulation and other applications, all with unprecedented precision. A typical STM’s operation relies on the quantum tunneling phenomenon. Providing a few angstroms of tip-sample separation, and a bias voltage between the two, a tunneling current (TC) is established. The tunneling current is logarithmically proportional to the tip sample separation . During imaging, a three degree of freedom (DOF) piezotube is employed to scan the tip over the surface, while a PI controller drives the Z axis in order to maintain the tunneling current at the set value. Therefore, an image of the sample surface can be constructed using the Z axis controller output, along with the corresponding X, and Y coordinates from the piezotube. Despite its well-established use in high precision applications, the achievable scan speed of the conventional STM has remained limited since its advent. One of the main reasons limiting the achievable scan speed is the relatively low operation bandwidth of the bulky piezotube Z-axis positioner, which is typically less than 1 kHz in conventional systems . This limitation correspondingly hinders the ability of the Z-axis controller to rapidly respond to the changes in the topography during the scan. To address this limitation, we design, build and characterize a high-bandwidth, 1-DOF nanopositioner with an electrostatic parallel plate actuation mechanism and a conductive tip, to replace the Z axis of the currently available STM piezotubes (Figure 1). The device is microfabricated using an SOI wafer with two device layers, where the top-most layer is designated for the tunneling current sensing, and contains the conductive tip realized by FIB induced deposition. The bottom device layer, on the other hand, comprises the actuation mechanism along with the shuttle and mechanical flexures, that provides 2-µm displacement range in one direction, comparable to a typical STM piezoelectric tube scanner. Importantly, the nanopositioner is structurally designed to have a -3dB bandwidth of 15.6 kHz, increasing the STM positioners’ Z axis bandwidth more than an order of magnitude as experimentally shown in Figure 2. Using this system we were able to demonstrate that tunneling current can be successfully established on an HOPG sample in air and successfully maintained for over two minutes (Figures 3-4).

FIB↗

Stress-strain state of mechanical rebar couplings

Mechanical rebar couplers are preferable in the advanced building construction and structural design of anti-seismic elements. The paper presents destructive inspection techniques used to investigate stress fields (tensile and compressive) and deformation curves for mechanical rebar splicing. The properties of mechanical rebar splicing are investigated by the non-destructive testing digital radiography. The behavior of real connections (column-to-column, beam-to-column) is studied under static and dynamic loads. Investigation results allow the elaboration of recommendations on their application in the universal prefabricated anti-seismic structural system developed at Tomsk State University of Architecture and Building, Tomsk, Russia.

42 ENGINEERING↗

Design of bicontinuous metallic nanocomposites for high-strength and plasticity

We demonstrate design of Cu/Mo nanocomposite thin films with bicontinuous intertwined morphologies for high strength and plastic deformability. Through co-sputtering Cu and Mo at different temperatures, nanocomposites with lateral and random concentration modulations (LCMs and RCMs) were fabricated. Ligament size and coherency of the Cu/Mo interfaces was also controlled via the deposition conditions. It was discovered that nanocomposites with LCM structure and coherent interfaces have high strength but limited deformability. Enhanced deformability was achieved when the interface was altered to semi-coherent, although plasticity was localized in kink bands. The RCM structure design with semi-coherent interfaces showed an excellent combination of high flow strength and plastic deformability due to suppression of shear and kink bands.

36 MATERIALS SCIENCE↗

Programmable exploration of magnetic states in Lieb-kagome interpolated lattices

We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable systems. Using phthalocyanine assemblies as a structurally constrained prototype, we model a continuous deformation from a Lieb to a kagome lattice, revealing frustration-driven disorder and magnetic field-induced reordering in the spin structure. Here, the goal is to show how a quantum annealer can operate as a physically instantiated, programmable platform to emulate experimentally relevant lattice deformations and produce observables in a manner analogous to an experimental measurement, enabling the characterization of magnetic arrangements beyond the reach of current molecular architectures. This surrogate modeling approach offers a pathway to explore and iteratively design tunable magnetic states in synthetic materials. The synthetic design, structural characterization, and quantum simulation framework established here defines a modular and scalable paradigm for probing the limits of engineered matter across chemistry, condensed matter, and quantum information science.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Development of Grade 91 inelastic model for incorporation in ASME Division 5

This report describes a unified viscoplastic model for Grade 91 suitable for use with the Section III, Division 5 design by inelastic analysis procedures in the ASME Boiler and Pressure Vessel Code. The report identifies several key features a successful design inelastic model must capture along with critical aspects of the response of Grade 91 for elevated temperature loading conditions typical of expected reactor operating conditions. An inelastic model for Code design must capture the average response of a material including heat-to-heat and product form variations. This work develops a method for calibrating such a model to a large experimental database using genetic algorithm optimization. Finally, the report compares the final model to several specialized experimental tests to validate that it will be suitable for use in high temperature structural design. The techniques developed here can be applied to the remaining Section III, Division 5, Class A materials to develop a nonmandatory appendix to the Code describing inelastic material models suitable for use with the design by inelastic analysis procedures.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Optimization of Structural Flood Mitigation Strategies

The dynamics of flooding are primarily influenced by the shape, height, and roughness (friction) of the underlying topography. For this reason, mechanisms to mitigate floods frequently employ structural measures that either modify topographic elevation, for example, through the placement of levees and sandbags, or increase roughness, for example, through revegetation projects. However, the configuration of these measures is typically decided in an ad hoc manner, limiting their overall effectiveness. The advent of high–performance surface–water modeling software and improvements in black–box optimization suggest that a more principled design methodology may be possible. This paper proposes a new computational approach to the problem of designing structural mitigation strategies under physical and budgetary constraints. It presents the development of a problem discretization amenable to simulation–based, derivative–free optimization. However, meta–heuristics alone are found to be insufficient for obtaining quality solutions in a reasonable amount of time. As a result, this paper proposes novel numerical and physics–based procedures to improve convergence to a high–quality mitigation. Furthermore the efficiency of the approach is demonstrated on hypothetical dam break scenarios of varying complexity under various mitigation budget constraints. In particular, experimental results show that, on average, the final proposed algorithm results in a 65% improvement in solution quality compared to a direct implementation.

54 ENVIRONMENTAL SCIENCES↗

Application of the macrohomogeneous line model for the characterization of carbon aerogel electrodes in capacitive deionization

Capacitive deionization (CDI) is a conceivable alternative desalination technology. Among the carbon materials studied as the deionizing electrode, carbon aerogels are a promising material due to their high surface area, structural designability and low resistivity. When evaluating carbons for CDI, their electrochemical properties are a crucial variable making the characterization of such properties vital. We apply a macrohomogenous model to evaluate carbon aerogels activated with CO 2 for various periods and varying Resorcinol/Catalyst, R/C, ratios during synthesis for estimation of their effective surface areas and pore sizes from an electrochemical standpoint. The porosities and structural properties of carbon aerogels were evaluated by nitrogen porosimetry, STEM, SEM and Electrochemical Impedance Spectroscopy (EIS). Results showed that the effective electrochemical surface areas calculated from the EIS were a small fraction of the areas estimated by nitrogen porosimetry, indicating that primarily the mesoporosity was utilized for deionization. Characteristic pore sizes calculated by the model were also close to the mesopore sizes estimated by the nitrogen adsorption isotherms, STEM and SEM measurements. Such results demonstrate the validity and value of the macrohomogenous model for evaluating effective electrochemical properties important for CDI applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Operating High-Energy Lithium-Metal Pouch Cells with Reduced Stack Pressure Through a Rational Lithium-Host Design

Transitioning from a liquid electrolyte to an inorganic solid electrolyte offers a potential pathway to enable highly reversible lithium-metal anodes. However, the solid-electrolyte-protected lithium-metal anode suffers from poor interfacial ionic contacts and requires an impractically high stack pressure (>1.0 MPa) to maintain the interfacial contacts. It is demonstrated here that combining a hollow silver/carbon fiber scaffold and an inorganic/organic composite electrolyte enables a highly reversible lithium-metal anode. Since the high surface area of the electrode provides intimate contact and the hollow structure of the electrode relieves the lithium plating-induced stress, the electrode/electrolyte interface remains stable during cycling even under mild stack pressure. This unconventional structural design is validated in practical pouch cells assembled with the 3D lithium host containing a onefold excess of lithium and a high-nickel cathode. At a mild stack pressure of 320 kPa, the pouch cell displays 83% capacity retention for 200 cycles. This work illustrates that combining a hollow electrode architecture and a robust solid electrolyte offers a practical pathway toward rechargeable lithium-metal anodes.

36 MATERIALS SCIENCE↗

ASSESSMENT OF HIGH-VOLUME HARVESTED FLY ASH BLENDS FOR USE IN PRECAST CONSTRUCTION

Declining supplies of fresh fly ashes in some regions have further driven the importance of using harvested fly ash as a supplementary cementitious material and thus replacement for more energy-intensive ordinary Portland cement (OPC). Higher replacement rates of OPC with fly ash in general has traditionally been limited in precast operations due to stringent early-age strength requirements necessitated by initial prestress and lifting/handling of hardened components – often well within 24 hours after fresh concrete placement. Therefore, a series of mix designs were developed, as part of a larger framework for reassessing high-volume fly ash (HVFA) use in the context of precast construction, to demonstrate the feasibility of using larger fractions of harvested fly ash in concrete formulations suitable for precast fabrication demands. More specifically, a target minimum 24-hour compressive strength of 24.1 MPa (3500 psi) was set, in accordance with conventional precast structural design checks, while increasing the fly ash content to 40% replacement of OPC – at least a 15% increase above the traditional limit of 25%. The effect of using more sustainable Type IL cement in contrast to conventional Type III Portland cement (the traditional standard for precast use) – both in conjunction with HVFA use – was also examined. Early-age mechanical properties including compressive strength, modulus of rupture, and modulus of elasticity were evaluated within the aforementioned early-age window. Lastly, corresponding design equations were then reassessed for their applicability with respect to the high-early strength HVFA mixes examined herein.

Gombeda, Matthew J.↗