Electric field assisted solid-state interfacial joining of TaC-HfC ceramics without filler
Not provided.
Materials Science↗
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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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Enhanced Dissolution of Platinum Group Metals Using Electroless Iron Deposition Pretreatment
In order to develop a new method for efficiently recovering platinum group metals (PGMs) from catalyst scraps, the authors investigated an efficient dissolution process where the material was pretreated by electroless Fe deposition. When Rh-loaded alumina powder was kept in aqua regia at 313 K (40 °C) for 30 to 60 minutes, the Rh hardly dissolved. Meanwhile, after electroless Fe plating using a bath containing sodium borohydride and potassium sodium tartrate as the reducing and complexing agents, respectively, approximately 60 pct of Rh was extracted by aqua regia at 313 K (40 °C) after 30 minutes. Furthermore, when heat treatment was performed at 1200 K (927 °C) for 60 minutes in vacuum after electroless plating, the extraction of Rh approached 100 pct for the same leaching conditions. The authors also confirmed that the Fe deposition pretreatment enhanced the dissolution of Pt and Pd. These results indicate that an effective and environmentally friendly process for the separation and extraction of PGMs from catalyst scraps can be developed utilizing this Fe deposition pretreatment.
36 MATERIALS SCIENCE↗
Characterization of topology optimized Ti-6Al-4V components using electron beam powder bed fusion
The use of manufacturing to generate topology optimized components shows promise for designers. However, designers who assume that additive manufacturing follows traditional manufacturing techniques may be misled due to the nuances in specific techniques. Since commercial topology optimization software tools are neither designed to consider orientation of the parts nor large variations in properties, the goal of this research is to evaluate the limitations of an existing commercial topology optimization software (i.e. Inspire®) using electron beam powder bed fusion (i.e. Arcam®) to produce optimized Ti-6Al-4V alloy components. Emerging qualification tools from Oak Ridge National Laboratory including in-situ near-infrared imaging and log file data analysis were used to rationalize the final performance of components. While the weight savings of each optimized part exceeded the initial criteria, the failure loads and locations proved instrumental in providing insight to additive manufacturing with topology optimization. In conclusion, this research has shown the need for a comprehensive understanding of correlations between geometry, additive manufacturing processing conditions, defect generation, and microstructure for characterization of complex components such as those designed by topology optimization.
42 ENGINEERING↗
NESTED SHELLS REVEAL THE REJUVENATION OF THE ORION–ERIDANUS SUPERBUBBLE
The Orion–Eridanus superbubble is the prototypical superbubble owing to its proximity and evolutionary state. Here we provide a synthesis of recent observational data from WISE and Planck with archival data, allowing us to draw a new and more complete picture on the history and evolution of the Orion–Eridanus region. We discuss the general morphological structures and observational characteristics of the superbubble and derive quantitative properties of the gas and dust inside Barnard’s Loop. We reveal that Barnard’s Loop is a complete bubble structure that, together with the λ Ori region and other smaller-scale bubbles, expands within the Orion–Eridanus superbubble. We argue that the Orion–Eridanus superbubble is larger and more complex than previously thought, and that it can be viewed as a series of nested shells, superimposed along the line of sight. During the lifetime of the superbubble, Hii region champagne flows and thermal evaporation of embedded clouds continuously mass-load the superbubble interior, while winds or supernovae from the Orion OB association rejuvenate the superbubble by sweeping up the material from the interior cavities in an episodic fashion, possibly triggering the formation of new stars that form shells of their own. The steady supply of material into the superbubble cavity implies that dust processing from interior supernova remnants is more efficient than previously thought. The cycle of mass loading, interior cleansing, and star formation repeats until the molecular reservoir is depleted or the clouds have been disrupted. While the nested shells come and go, the superbubble remains for tens of millions of years.
79 ASTRONOMY AND ASTROPHYSICS↗
Improving the Performance of Integrated Power-Hardware-in-the-Loop and Quasi-Static Time-Series Simulations
This paper introduces a novel multirate cosimulation architecture that overcomes previous challenges integrating faster real-time, microseconds-scale, power-hardware-in-the-loop (PHIL) with larger scale but slower, real-time, seconds-scale, quasi-static time-series (QSTS) simulation. Specifically, an intermediate reduced-equivalent electromagnetic transient (EMT) model duplicates the key power system topology to capture high-speed dynamics and converge hardware-power system interactions between QSTS updates. Exchanging multidimensional parameter vectors (loads, control status, etc.) between the QSTS and EMT models enables capturing the interactions of the rich, high-node-count (thousands of electrical nodes) QSTS model with the hardware. This architecture offers full spatial resolution from QSTS, including individual load dynamics, actual distribution management system controls, and nodal voltages. Simultaneously, the intermediate EMT model provides more detailed high-speed transients of key distributed energy resource hardware interactions. In addition, we use careful PHIL interface design and the exchange of complex power data, rather than current, to further improve performance. This cosimulation architecture is demonstrated by testing a simulated distribution system with an interconnected 500-kVA advanced photovoltaic (PV) inverter in PHIL. In conclusion, the architecture successfully captured PV local volt-volt ampere reactive (volt-VAR) control interactions with the larger network under time-varying electrical and weather conditions.
42 ENGINEERING↗
Model Intercomparison of the Impacts of Varying Cloud Droplet–Nucleating Aerosols on the Life Cycle and Microphysics of Isolated Deep Convection
The microphysical impacts of aerosol particles on scattered isolated deep convective cells near Houston, Texas, on 19 June 2013, are examined using multiple cloud-resolving model (CRM) simulations initialized with vertical profiles of low and high concentrations of cloud droplet–nucleating aerosols. These simulations formed part of the Model Intercomparison Project (MIP) conducted by the Deep Convective Working Group of the Aerosol, Cloud, Precipitation and Climate (ACPC) initiative. Each CRM generated a field of convective cells representing those observed during the case study with varying degrees of accuracy. The Tracking and Object-Based Analysis of Clouds (tobac) cell-tracking algorithm was applied to each MIP CRM simulation to track relatively long-lived convective cells (20–60 min). Most of the CRMs produced similar aerosol loading impacts on the warm phase of tracked cell properties with reduced autoconversion and accretion growth of rain, increased cloud water, reduced rainfall, and reduced near-surface evaporation of rain. The sign of aerosol impacts on the warm-phase properties of the convective cells was also quite consistent over cell lifetimes with the greatest magnitude of influence in the first half of the life cycle in most CRMs. In contrast, the ice-phase response to aerosol loading was highly variable among CRMs and included increases or decreases in ice amounts at inconsistent stages of the cell life cycle and midlevel versus upper-level changes in ice. This intermodel variability in ice is indicative both of the complex indirect interactions between aerosols and ice-phase processes in deep convection and their associated parameterizations.
Aerosol-cloud interaction↗
Viscosity Measurements in Extreme Conditions
Radiation-hydrodynamics simulations are critical to the NNSA complex for understanding high energy density physics and for addressing problems in national security science. However, current rad-hydro codes typically do not account for viscosity, which generally leads to large uncertainties in problems involving mixing of materials under shock loading. This report details progress made towards experimental measurements of fluid viscosity at high pressures and temperatures achieved by shock wave compression techniques, as well as complementary material model development and hydrodynamic simulations.
36 MATERIALS SCIENCE↗
Experimental demonstration and performance evaluation of a complex fenestration system for daylighting and thermal harvesting
Two significant design strategies for mitigating building energy consumption are daylight redirection and solar energy harvesting. Effective daylighting implementation enhances the amount of useful natural light within a space and offsets the need for electric lighting. Solar energy harvesting systems can mitigate energy costs from mechanical systems by managing incoming thermal loads or capturing solar energy that can be used to supplement thermal systems in the building. While there are many available façade-based technologies that can perform daylighting or solar thermal energy harvesting, there remains a limitation in available systems that can perform both of them simultaneously. This paper, describes the design and experimental demonstration of a Liquid Filled Prismatic Louver (LFPL) system, which combines both energy-saving strategies. The LFPL system was installed in a south-facing room in New York City and evaluated for indoor daylight penetration and potential for thermal energy harvesting. Daylight redirection is achieved through the prismatic louver geometry and proper orientation, whereas thermal energy harvesting is achieved through IR absorption from the liquid (e.g., water) within the prisms. Daylighting performance was evaluated by illuminance measurements at key locations within the space, whereas thermal harvesting performance was evaluated through temperature measurements and thermal imaging analysis. We show that the LFPL system, with all prismatic elements oriented at the same angle, achieve a 2-fold and 8-fold enhancement in daylight redirection to the ceiling, for prism orientations of 10° and 20°, respectively. We also demonstrate the system’s capability to adjust to specific lighting needs, within the space, through the dynamic individual orientation of prismatic elements; thus, achieving a concentrated ceiling illuminance enhancement of ~100 times and ~200 times at 2.5 and 4.3 m away from the window sill, providing workplane illuminance enhancement of 6 and 2 times more than in the case of the control room with regular windows. Furthermore, we illustrate a reduction of potential heating loads at locations close to the window from the combination of infrared absorption in the water volume and the redirection of the incoming solar radiation, leading to a reduction of the workplane temperature by an average of 7–10 °C.
14 SOLAR ENERGY↗
Temperature-dependent micromechanical behavior of medium-Mn transformation-induced-plasticity steel studied by in situ synchrotron X-ray diffraction
The temperature-dependent micromechanical behavior of medium-Mn transformation-induced-plasticity (TRIP) steel with a nominal chemical composition of Fe-0.1C-10Mn-2Al (mass%) fabricated by intercritical annealing 650 ºC for 1 h after cold-rolling, was investigated using in situ high-energy X-ray diffraction (HE-XRD) with uniaxial tensile tests at temperatures of 100, 25 and -50 ºC. We find that as the deformation temperature decreases, the Luders strain decreases and more austenite transforms to martensite during Luders band propagation. The Luders bands are associated with sudden changes of lattice strain in austenite. At 100 ºC, austenite is too stable to transform to martensite, resulting in limited work-hardening capability and a relatively low strain to failure. At 25 ºC, the austenite is found to transform in bursts during applied loading. These transformations correlate with stepwise peak broadening in the austenite phase and are attributed to Portevin-Le Chatelier (PLC) band propagation. At -50 ºC, we then observe a more intense TRIP effect which suppresses PLC band formation and leads to a high ultimate tensile strength. In addition to the TRIP effect, we find that work hardening in the deformation-induced martensite phase plays an important role in the plastic stability at low temperature, by accommodating stress compatibility between grains and phases. Our studies provide the first direct experimental evidence for the existence of large stress concentrations in the austenite phase near the Luders band propagation front. These observations help to deepen understanding of the complex temperature-dependent micromechanical behaviors of advanced medium-Mn TRIP steels.
36 MATERIALS SCIENCE↗
A variational phase-field model For ductile fracture with coalescence dissipation
A novel phase-field model for ductile fracture is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling mechanism between plasticity and fracture by degrading the fracture toughness as the equivalent plastic strain increases. The proposed model is compared with a recent alternative where plasticity and fracture are strongly coupled. Several representative numerical examples motivate specific modeling choices. In particular, a linear crack geometric function provides an “unperturbed” ductile response prior to crack initiation, and Lorentz-type degradation functions ensure that the critical fracture strength remains independent of the phase-field regularization length. In addition, the response of the model is demonstrated to converge with a vanishing phase-field regularization length. Additionally, the model is then applied to calibrate and simulate a three-point bending experiment of an aluminum alloy specimen with a complex geometry. The effect of the proposed coalescence dissipation coupling on simulations of the experiment is first investigated in a two-dimensional plane strain setting. The calibrated model is then applied to a three-dimensional calculation, where the calculated load-deflection curves and the crack trajectory show excellent agreement with experimental observations. Finally, the model is applied to simulate crack nucleation and growth in a specimen from a recent Sandia Fracture Challenge.
42 ENGINEERING↗
Microstructure and Work Hardening Behavior of Micro-plasma Arc Welded AISI 316L Sheet Joint
The aim of this research is to investigate the microstructural changes and work hardening behavior of AISI 316L 0.5-mm-thick sheet due to micro-plasma arc welding. AISI 316L similar sheets were welded in single-pass square butt joint configuration. The microstructure in the fusion zone typically contains a variety of complex δ-ferrite-austenitic structure, which significantly increased hardness value compared to the base material because of rapid solidification of the weld pool. Systematic tensile test was performed to investigate strain rate sensitivity of the welded joint under quasi-static loading conditions. The multistage work hardening behavior was determined by Kocks–Mecking (K–M) model and differential Crussard–Jaoul analysis. In both the cases, stage III work hardening behavior and stage IV work hardening behavior were observed. The stress–strain curves of welded specimen at different strain rates were analyzed in terms of Hollomon, Ludwik and Swift equations to determine work hardening exponent values. The welded joints were ruptured in the transition zone of heat affected and fusion zones. The fractographic observation exhibited variation in dimple and void density over strain rate from 0.0001 to 0.0015 s{sup −1}.
36 MATERIALS SCIENCE↗
Evaluation of supply air temperature control performance with different control strategies at air handling units
Due to its nonlinear feature, supply air temperature control systems at air handling units using single-loop fixed gain control frequently suffer unstable response under dynamic conditions. This paper is aimed at identifying a more effective control strategy to stabilize the valve control and achieve desirable supply air temperature response under various operation conditions by evaluating three control strategies, cascade, gain scheduling and cascade plus gain scheduling controls. Firstly, a control-oriented model is developed and calibrated through open-loop tests. Then, the control issues with single-loop fixed gain control are evaluated through simulations and field tests, which indicates that the system has more aggressive response or becomes unstable under lower load conditions when the chilled-water flow rate is less than 0.1 L/s. Finally, three control strategies are proposed and evaluated. Further, the results reveal that all three proposed controls can achieve better robustness with the integral square error of supply air temperature decreased to 16%, 47% and 5%, respectively, under lower load condition. However, since high-frequency oscillation of the control valve occurs with cascade and cascade plus gain scheduling control, the gain scheduling control is recommended considering a trade-off among the supply air temperature response, valve lifetime and implementation complexity.
42 ENGINEERING↗
The Effects of Mixing Multi-Component HLW Glasses on Spinel Crystal Size
The Hanford Waste Treatment and Immobilization Plant will vitrify radioactive waste into borosilicate glass. The high-level waste (HLW) glass formulations are constrained by processing and property requirements, including restrictions aimed at avoiding detrimental impacts of spinel crystallization in the melter. To understand the impact of glass chemistry on crystallization, two HLW glasses precipitating small (?5 µm) spinel crystals were individually mixed with a glass that precipitated large (?45 µm) spinel crystals in ratios of 25, 50, and 75 wt%. The size of spinel crystals in the mixed glasses varied from 5 to 20 µm. Small crystal size was attributed to: (1) high concentrations of nuclei due to the presence of ruthenium oxide and (2) chromium oxide aiding high rates of nucleation. Results indicate that the spinel crystal size can be controlled using chromium oxide and/or noble metal concentrations in the melt, even in complex mixtures like HLW glasses. Small crystals tend to settle slowly, so they are acceptable in the melter without a risk of failure. Allowing higher concentrations of spinel-forming waste components in the waste glass enables glass compositions with higher waste loading, thus increasing plant operational flexibility. An additional benefit to the presence of chromium oxide in the glass composition is the potential for the oxide to protect melter walls against corrosion.
Lonergan, Charmayne E.↗
A photosensitive sustainable lignin nanoplatform for multimodal image-guided mitochondria-targeted photodynamic and photothermal therapy
Photoactivated nanocarriers exhibit significant potential for anticancer therapy, but complex design strategies, unsustainable substrates, and short wavelengths limit their practical application. Here, we designed a new lignin-derived photoactivated nanomaterial that exploits the sensitivity of the β-O-4 bond of lignin to singlet oxygen. This sustainable product was loaded with mitochondria-targeting chlorin e6 and black phosphorus quantum dots (BPQDs) to produce BPQDs@N-LgC NPs, which were used for mitochondria-targeted fluorescence/photoacoustic-guided photothermal and photodynamic therapy. When irradiated at 808 nm, the BPQDs in BPQDs@N-LgC NPs exhibited good photothermal conversion, which allowed photoacoustic imaging and inhibited tumor growth. When irradiated at 660 nm, the BPQDs@N-LgC NPs generated fluorescence and reactive oxygen species, which allowed photoluminescence imaging and further inhibited tumor growth. Cleavage of the β-O-4 bond of lignin by photo-triggered reactive oxygen species degraded the NPs and released the BPQDs, facilitating rapid excretion of the therapeutic nanomaterials. Our rationally designed BPQDs@N-LgC NPs exhibited good therapeutic efficacy, both in vitro and in vivo.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A designed bacterial microcompartment shell with tunable composition and precision cargo loading
Microbes often augment their metabolism by conditionally constructing proteinaceous organelles, known as bacterial microcompartments (BMCs), that encapsulate enzymes to degrade organic compounds or assimilate CO 2 . BMCs self-assemble and are spatially delimited by a semi-permeable shell made up of hexameric, trimeric, and pentameric shell proteins. Bioengineers aim to recapitulate the organization and efficiency of these complex biological architectures by redesigning the shell to incorporate non-native enzymes from biotechnologically relevant pathways. To meet this challenge, a diverse set of synthetic biology tools are required, including methods to manipulate the properties of the shell as well as target and organize cargo encapsulation. We designed and determined the crystal structure of a synthetic shell protein building block with an inverted sidedness of its N- and C-terminal residues relative to its natural counterpart; the inversion targets genetically fused protein cargo to the lumen of the shell. Moreover, the titer of fluorescent protein cargo encapsulated using this strategy is controllable using an inducible tetracycline promoter. Furthermore, these results expand the available set of building blocks for precision engineering of BMC-based nanoreactors and are compatible with orthogonal methods which will facilitate the installation and organization of multi-enzyme pathways.
59 BASIC BIOLOGICAL SCIENCES↗
Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations
Rhenium and manganese bipyridyl tricarbonyl complexes have attracted intense interest for their promising applications in photocatalytic and electrocatalytic CO 2 reduction in both homogeneous and heterogenized systems. To date, there have been extensive studies on immobilizing Re catalysts on solid surfaces for higher catalytic efficiency, reduced catalyst loading, and convenient product separation. However, in order for the heterogenized molecular catalysts to achieve the combination of the best aspects of homogeneous and heterogeneous catalysts, it is essential to understand the fundamental physicochemical properties of such heterogeneous systems, such as surface-bound structures of Re/Mn catalysts, substrate–adsorbate interactions, and photoinduced or electric-field-induced effects on Re/Mn catalysts. For example, the surface may act to (un)block substrates, (un)trap charges, (de)stabilize particular intermediates (and thus affect scaling relations), and shift potentials in different directions, just as protein environments do. The close collaboration between the Lian, Batista, and Kubiak groups has resulted in an integrated approach to investigate how the semiconductor or metal surface affects the properties of the attached catalyst. Synthetic strategies to achieve stable and controlled attachment of Re/Mn molecular catalysts have been developed. Steady-state, time-resolved, and electrochemical vibrational sum-frequency generation (SFG) spectroscopic studies have provided insight into the effects of interfacial structures, ultrafast vibrational energy relaxation, and electric field on the Re/Mn catalysts, respectively. Various computational methods utilizing density functional theory (DFT) have been developed and applied to determine the molecular orientation by direct comparison to spectroscopy, unravel vibrational energy relaxation mechanisms, and quantify the interfacial electric field strength of the Re/Mn catalyst systems. This Account starts with a discussion of the recent progress in determining the surface-bound structures of Re catalysts on semiconductor and Au surfaces by a combined vibrational SFG and DFT study. The effects of crystal facet, length of anchoring ligands, and doping of the semiconductor on the bound structures of Re catalysts and of the substrate itself are discussed. This is followed by a summary of the progress in understanding the vibrational relaxation (VR) dynamics of Re catalysts covalently adsorbed on semiconductor and metal surfaces. The VR processes of Re catalysts on TiO 2 films and TiO 2 single crystals and a Re catalyst tethered on Au, particularly the role of electron–hole pair (EHP)-induced coupling on the VR of the Re catalyst bound on Au, are discussed. The Account also summarizes recent studies in quantifying the electric field strength experienced by the catalytically active site of the Re/Mn catalyst bound on a Au electrode based on a combined electrochemical SFG and DFT study of the Stark tuning of the CO stretching modes of these catalysts. Finally, future research directions on surface-immobilized molecular catalyst systems are discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Raman Spectroscopic In Situ Monitoring of Highly Turbid Media
The ability to run chemical processing more efficiently and cost effectively is a need that spans critical materials recovery and legacy nuclear waste cleanup. Sensors integrated to provide online monitoring are essential to addressing this need by providing near-real time feedback on process conditions, which can improve efficiency, aid in decision making, and reduce the need for grab sample measurements. Optical spectroscopy is well-suited for providing online chemical composition information and has been widely applied in varied chemical systems. However, applications in turbid matrices continue to represent substantial challenges to sensor performance, where absorption or scattering of excitation light can cause significant signal interference. Here, in this study, close-focus Raman probes are investigated for use in turbid media as a way to overcome the signal loss from the scattering of the Raman excitation source. This, paired with advanced data science techniques, allowed for the development of chemometric models for the accurate quantification of several analytes of interest (NO 3 – , NO 2 – , and PO 4 3– ) in highly turbid solutions with solids loadings of up to 20 wt %. This work focuses on offline sample measurement and characterization as an initial step toward the development of online monitoring capabilities. Chemical systems of interest were focused on nuclear waste at the Hanford Site, which represents highly complex matrices that could realize significant processing benefits through the integration of online monitoring.
Felmy, Heather M. [Pacific Northwest National Labo↗
Compressible pairwise interaction extended point-particle model for force prediction of shock-particle bed interaction
We propose a pairwise influence framework for the complex unsteady compressible particle-laden flow problem by accounting for the scattered hydrodynamic waves emitting from neighboring particles in a Euler-Lagrange simulation. It has been observed from particle-resolved (PR) simulations of randomly dispersed particle beds under a loading shock that the compressible pseudoturbulence dominates the flow system even after the primary shock has passed, which causes fluctuations observed in the forces experienced by the particle. Moreover, the fact that each particle exists in the vicinity of a random arrangement of other particles modifies the time history of the drag force experienced by each particle during and after the passage of the shock. First, the scattering flow field due to an incoming shock interacting with a single sphere is constructed using an analysis of the flow in the acoustic limit. Then we examine the validity of the compressible Maxey-Riley-Gatignol force model by comparing the force prediction against a PR simulation of two interacting particles for various particle arrangements and incoming shock strength. Subsequently, the neighboring influences are stored as a library of maps that can be used readily in the calculation of the perturbation force. Lastly, the pairwise interaction assumption is evaluated by comparing the force predicted with the model with PR simulations of a randomly packed particle bed of 10% volume fraction for both water and air as the fluid medium for an incoming shock Mach number 1.22. With a considerably lower cost for the implementation of the model compared to PR simulations, it is verified that the model is reasonably accurate in pinpointing particles whose peak force is significantly larger or smaller than the mean drag but also to capture the prolonged fluctuations after the initial shock.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗