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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Direct nanoscale mapping of open circuit voltages at local back surface fields for PERC solar cells

The open circuit voltage (V OC) is a critical and common indicator of solar cell performance as well as degradation, for panel down to lab-scale photovoltaics. Detecting V OC at the nanoscale is much more challenging, however, due to experimental limitations on spatial resolution, voltage resolution, and/or measurement times. Accordingly, in this work an approach based on Conductive Atomic Force Microscopy is implemented to directly detect the local V OC , notably for monocrystalline Passivated Emitter Rear Contact (PERC) cells which are the most common industrial-scale solar panel technology in production worldwide. This is demonstrated with cross-sectioned monocrystalline PERC cells around the entire circumference of a poly-Aluminum-Silicide via through the rear emitter. The V OC maps reveal a local Back Surface Field extending ~2 μm into the underlying p-type Si absorber due to Al in-diffusion as designed. Such high spatial resolution methods for photovoltaic performance mapping are especially promising for directly visualizing the effects of processing parameters, as well as identifying signatures of degradation for silicon and other solar cell technologies.

14 SOLAR ENERGY↗
DOE OSTI2019

Vortex Dynamic Phases in Type II Superconducting Strips with Regular and Flattened Triangular Pinning Arrays

The dynamic behavior of vortices in type II superconducting infinite strips is simulated with two types of triangular pinning lattices: the regular one and a flattened triangular array that mimics the vortex lattice in a superconducting strip in the absence of a pinning array. The calculations were made at zero temperature and perpendicular magnetic field. The size effects are investigated for several strip widths maintaining the density and size of pinning centers unchanged. A driving force is applied in the infinite direction to analyze the depinning process and the different dynamic regimes. For the regular triangular pinning lattice, we found that there is a great richness of vortex dynamical phases because depending on strip width, part of the vortices may stabilize in different interstitial positions and the depinning process depends on the commensurability of each vortex chain. For the flattened triangular lattice, the system exhibits one ordered moving phase for narrower strips and two moving phases for the larger strip. As the transport force increases, vortices in the larger strip go from a disordered to an ordered phase. Moreover, the flattened lattice shows a much higher critical depinning force than the regular one due to commensurability effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Reduction Enhancement Mechanisms of a Low-Grade Iron Ore–Coal Composite by NaCl

The reduction behavior of a low iron grade with high SiO{sub 2} content ore–coal composite was investigated in the temperature range of 1143 K to 1263 K (870 °C to 990 °C). Sodium chloride was chosen as an additive to promote this reduction process. The effect of the sodium chloride addition and its mechanism was also investigated. Results showed that the added sodium chloride could enhance the reduction of wustite to iron due to the decrease of fayalite, and a higher metallization ratio of reduced sample was obtained. Thermogravimetric–differential scanning calorimeter analysis showed that sodium chloride could greatly facilitate the gasification process of coal and, thus, provide sufficient carbon monoxide to the reduction process of iron oxides. Meanwhile, sodium chloride promoted the reduction process of iron ore pellets directly as the coal gasification effect was excluded. Microstructures of reduced sample revealed that sodium chloride broke the structure of ore and enhanced the growth of newly formed iron particles. As the ore–coal composite with mol (C/Fe = 1.4) and 3 mass pct sodium chloride addition was roasted at 1233 K (960 °C) for 55 minutes, a reduced sample with metallization ration of 74.45 pct could be obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Effect of CaO on Gas/Slag/Matte/Tridymite Equilibria in Fayalite-Based Copper Smelting Slags at 1473 K (1200 °C) and P(SO{sub 2}) = 0.25 Atm

Fundamental experimental studies have been undertaken to determine the effect of CaO on the equilibria between the gas phase (CO/CO{sub 2}/SO{sub 2}/Ar) and slag/matte/tridymite phases in the Cu-Fe-O-S-Si-Ca system at 1473 K (1200 °C) and P(SO{sub 2}) = 0.25 atm. The experimental methodology developed in the Pyrometallurgy Innovation Centre was used. New experimental data have been obtained for the four-phase equilibria system for fixed concentrations of CaO (up to 4 wt pct) in the slag phase as a function of copper concentration in matte, including the concentrations of dissolved sulfur and copper in slag, and Fe/SiO{sub 2} ratios in slag at tridymite saturation. The new data provided in the present study are of direct relevance to the pyrometallurgical processing of copper and will be used as an input to optimize the thermodynamic database for the copper-containing multi-component multi-phase system.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interface velocity dependent solute trapping and phase selection during rapid solidification of laser melted hypo-eutectic Al-11at.%Cu alloy

Microstructure formation of a hypo-eutectic Al-11Cu (atom percent) alloy during solidification after laser melting has been studied by transmission electron microscopy (TEM). The evolution of the solid-liquid-interface velocity, V SL , during the solidification process has been determined from direct observation by in-situ TEM. This enabled correlating V SL with development of four distinct microstructure zones. Crystal growth mode transitions from planar to cellular, cellular to dendritic, dendritic to cellular, and cellular to planar, have been observed for the accelerating solid-liquid-interface. The transition from coupled two-phase growth to the single-phase growth occurred for V SL = V a = (0.80±0.05) m/s, where V a is the velocity of absolute stability, at the onset of banded morphology grain formation. The in-situ and post-mortem TEM uniquely permitted determination of the non-equilibrium solidus for the rapidly solidifying Al-11Cu alloy. Experimental evidence for solute clustering and chemical ordering tendencies at length scales on the order of ≤ 5nm has been detected in the single-phase regions of the banded grains. The structural features of the single-phase bands have been interpreted as signatures of ‘frozen in’ configurations present in the liquid boundary layer adjacent to the growing crystal, which has a width of about 3nm. Finally, the nano-scale spatiotemporal resolution experimental TEM studies performed here provided quantitative metrics, e.g. the solidification interface velocity dependent solute concentration of the α-Al phase and the near-atomic scale structure in the single-phase bands, that are uniquely suitable for comparison with theory and model predictions for solidification microstructure development in multicomponent alloys after laser melting.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multi-scale structural analysis of swift heavy ion-irradiated ZrO 2 and HfO 2

The radiation-induced monoclinic-to-tetragonal phase transition in ZrO 2 and HfO 2 has been the subject of many investigations, but the transformation pathways and underlying structural mechanisms are still not well understood. In this study, microcrystalline powder samples of ZrO 2 and HfO 2 were irradiated with 946 MeV and 1470 MeV Au ions to a wide fluence range up to 3 × 10 13 ions/cm 2 . To characterize beam-induced structural modifications across all spatial length scales, complementary experimental techniques such as synchrotron X-ray diffraction and spallation neutron total scattering were used. The phase evolution of the tetragonal polymorph with increasing ion fluence is accurately described by a heterogeneous track-overlap model that incorporates both direct- and double-impact processes. These damage accumulation processes are an expression of a core-shell ion track morphology that depends on irradiation conditions and target material. Neutron pair distribution function analysis revealed that ion-beam-induced tetragonal ZrO 2 is merely a configurational average of short-range orthorhombic (Pbcn) domains stabilized by a dense network of domain walls. Furthermore, this knowledge is critical for a better understanding of how crystalline-to-crystalline phase transformations proceed at the atomic scale under extreme conditions.

Monoclinic-to-tetragonal phase transformation↗
DOE OSTI2022

Design of a supervisory control system for autonomous operation of advanced reactors

Advanced reactors to be deployed in the coming decades will face deregulated energy markets, and may adopt flexible operation to boost profitability. To aid in the transition from baseload to flexible operation paradigm, autonomous operation is sought. This work focuses on the control aspect of autonomous operation. Specifically, a hierarchical control system is designed to support constraint enforcement during routine operational transients. Within the system, data-driven modeling, physics-based state observation, and classical control algorithms are integrated to provide an adaptable and robust solution. A 320 MW Fluoride-cooled High-temperature Pebble-bed Reactor is the design basis for demonstrating the proposed control system. The hierarchical control system consists of a supervisory layer and low-level layer. The supervisory layer receives requests to change the system's operating conditions (e.g., the current reactor power to meet a load -follow), and accepts or rejects them based on constraints that have been assigned. Constraints are issued to keep the plant within an optimal operating region. The low-level layer interfaces with the actuators of the system to fulfill requested changes, while maintaining tracking and regulation duties. Further, to accept requests at the supervisory layer, the Reference Governor algorithm was adopted. To model the dynamics of the reactor, a system identification algorithm, Dynamic Mode Decomposition, was utilized. To estimate the evolution of process variables that cannot be directly measured (e.g., the propagation of delayed neutron precursors), the Unscented Kalman Filter, incorporating a nonlinear model of nuclear dynamics, was adopted. The composition of these algorithms led to a numerical demonstration of constraint enforcement during a 40% power drop transient (at a rate of 5 %/min). Uncontrolled secondary-side temperatures were successfully constrained. Adaptability of the proposed system was demonstrated by modifying the constraint values, and enforcing them during the transient. Robustness was also demonstrated by enforcing constraints under noisy environments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Role of surface diffusion in formation of unique reactivity for graphite oxidation: Time-resolved measurements in a pulsed diffusion reactor

Quantification of oxidation kinetics is essential to develop graphitic materials for diverse applications: from refractories found in gas-cooled nuclear reactors to catalysts needed for chemical manufacturing. In this work, using well-defined highly oriented pyrolytic graphite, low-pressure isotopic transient experiments combined with controlled annealing periods, we resolve the role of surface diffusion and quantify oxidation kinetics with nanomole-precision. We observe an unexpected increase in reactivity following annealing which is explained by the role of surface diffusion increasing the probability for trapping mobile oxygen at more reactive edge sites. Here, the locus of adsorption and spillover to the basal plane is distinct from the trapping location creating a more active oxygen species. Isotopic products reflect the population dynamics of oxygen added at the edge and surface diffusion that relocates basal plane oxygen to more reactive edge sites. Since this process proceeds in parallel with direct oxidation reactions, it is not likely to be observed using steady-state or conventional ‘bulk’ characterization techniques. Our unique time-resolved non-equilibrium measurement in a well-defined transport regime, enables observation of three distinct behaviors: short-term deactivation due to the balance of rates in oxygen supply/product formation, reactivity increases due to surface diffusion and longer-term reactivity increase with oxygen accumulation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

An arc-length method for controlled cohesive crack propagation using high-order XFEM and Irwin’s crack closure integral

Numerical modeling of cohesive crack growth in quasi-brittle materials is challenging, primarily due to the combination of (i) nonlinearity associated with the fracture process zone (FPZ), (ii) arbitrary directions to which a crack may propagate, and (iii) snap-back or snap-through instabilities encountered in the response of the structure. To address these challenges, here we propose a novel arc-length method that can follow the equilibrium path of cohesive crack propagation. The proposed approach is based on the extended finite element method (XFEM) with scalar high-order enrichment functions and Irwin’s crack closure integral, which allows for direct control of the applied loads necessary to propagate cohesive cracks. This is achieved by augmenting a constraint equation written in terms of stress intensity factors (SIFs), and expressed explicitly in terms of the enriched degrees of freedom, which is an attractive feature achieved with Irwin’s integral, since SIFs can be written in closed-form. Note that singular enrichments are active in an unstable crack propagation state and automatically vanish in stable crack configurations. Furthermore, to propagate cracks in arbitrary directions, we employ a maximum circumferential stress criterion implemented by (i) direct usage of the SIFs, and by (ii) a new stress-based nonlocal implementation of this principle. Various benchmark problems including pure mode I and mixed-mode fracture are solved to demonstrate the predictive capability of the present framework for cohesive crack modeling.

42 ENGINEERING↗
DOE OSTI2021

Inference of Rock Flow and Mechanical Properties from Injection-Induced Microseismic Events During Geologic CO 2 Storage

Monitoring microseismic activities during CO 2 injection into geologic formations is important for ensuring the safety of the storage operations. The resulting data provide insight into the response of the storage formation to CO 2 injection and can be used to infer the underlying rock flow and mechanical properties. In this paper, assimilation of microseismic data is performed for dynamic characterization of the storage formation by using a stochastic simulation model to forecast the microseismic response of a geologic formation during CO 2 injection. Two modeling approaches are adopted to predict the space-time distribution of the injection-induced microseismicity. The first model is based on pore pressure relaxation assumption, while the second model uses coupled flow and geomechanics simulation to establish the complex physical relation between the storage formation properties and the corresponding microseismic responses during CO 2 injection. The stochastic predictive models in each case are used in ensemble data assimilation frameworks to estimate rock properties from the observed microseismic data. Two data assimilation methods are considered: (i) a new ensemble-based stochastic point process filter (EnPPF) that can directly integrate discrete microseismic events, and (ii) a variant of ensemble smoother, known as the ensemble smoother with multiple data assimilation (ES-MDA), which requires continuous representation of microseismic events for assimilation. The two methods are successfully applied to a geologically realistic model of the Farnsworth Field in Texas, with complex geologic flow units and interacting fault systems.

42 ENGINEERING↗
DOE OSTI2018

Effect of compositional changes on microstructure in additively manufactured aluminum alloy 2139

Highlights: • Volatile elements preferentially vaporize during additive manufacturing. • Vapor losses affect precipitate habit plane in aluminum alloy 2139. • Above 0.2 wt% Mg the precipitate forms on the preferred {111} habit plane. • Higher strength is associated with precipitates on the {111} habit planes. - Abstract: A matrix of nine experiments was conducted on aluminum alloy 2139 samples made by an electron beam directed energy deposition additive manufacturing process to characterize the effect of magnesium vaporization loss on microstructure and properties. The nine-sample matrix included three different magnesium levels deposited onto material at three different temperatures. The goal was to quantify the variability in the deposited material as a function of allowable magnesium content and the local temperature of the substrate or previous layer. The results show that temperature variations in the substrate up to 100 K have no significant effect on the amount of magnesium loss; however, relatively large variations in Mg content, up to a ±0.25 wt%, can significantly affect the microstructure and mechanical properties. This is due to a change in how the precipitate phase forms, which influences the mechanism by which the alloy is strengthened.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Additively manufactured tantalum microstructures

Additively manufacturing tantalum is a challenging process in which obstacles are stemming from the high melting temperature and susceptibility to oxidation of tantalum. In this paper, several combinations of deposition parameters were considered in an effort to obtain fully dense additively manufactured tantalum produced on an EOSINT M280 DMLS system. Deposition parameters significantly affect the resulting microstructure of additively manufactured tantalum, altering grain morphology, grain size, crystallographic preferred orientation, and deposition porosity. Due to the nature of the laser sintering process applied, which implies large directional temperature gradients, the resulting microstructures were strongly columnar along the building direction. Microstructural differences for different deposition conditions manifested themselves in both grain morphology and preferred crystal orientations in the columnar grains. Deposition speed and laser power were important parameters to consider for obtaining porosity-free material. Finally, stripe width had the most significant effect on grain growth.

36 MATERIALS SCIENCE↗
DOE OSTI2019

In situ synchrotron X-ray imaging of 4140 steel laser powder bed fusion

In this study, an in situ synchrotron X-ray imaging technique was used to examine laser powder bed fusion (LPBF) of a chrome-molybedum, AISI 4140, ferrite–bainite steel, from a moving laser source. Since 4140 has received only minimal attention in the AM literature, focus here was on the effects of melt pool dynamics, vapor cavity depths, build layer height, and the origin of porosity on the 4140 as-built microstructure. Four build parameter sets, which enabled variation of laser power, scan speed, laser spot size, and specific energy density (SED), were applied. Vapor cavity and melt pool depths were measured for each single-track laser scan. Direct imaging of the LPBF process demonstrated that the primary source of porosity in the build originates from incorporation of entrapped gas within the powder irrespective of build parameter set. High resolution SEM and EBSD demonstrated that the as-built microstructure did not vary significantly with build parameter set over a broad range of SED. The fast solidification rates observed (0.06–0.08 m/s) lead to fine martensite packet/block size distributions (1–3 µm) with the potential for increased material strength.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effects of break geometry and orientation on helium-air mixing in simulated reactor cavities of high temperature gas reactors

Here, this study experimentally examined the spatial and temporal variations in air and helium concentrations and temperature fields within simulated reactor cavities of a High Temperature Gas Reactor (HTGR) following helium discharge into an initially air-filled reactor cavity system. Detailed temperature maps were generated using a combination of fiber optics temperature sensor and multiple thermocouple probes within the simulated reactor cavities. The research scenario involved a hypothetical small pipe break in the Reactor Pressure Vessel, resulting in the release of high-temperature helium into the surrounding cavity. A scaled multi-compartment experimental facility, modeled after the General Atomics Modular High Temperature Gas Reactor (GA-MHTGR) design, was constructed for helium and air mixing experiments. Oxygen sensors and thermocouple probes were installed in all five cavities to measure the concentrations of oxygen (or helium) and the temperature distributions of the gas mixture. The experimental findings highlighted the significant impact of the injected helium jet velocity on the gas mixing process and demonstrated how the direction of the helium jet influences the air-helium temperature profiles within the cavities.

Air-ingress↗
DOE OSTI2017

Biotemplated synthesis of inorganic materials: An emerging paradigm for nanomaterial synthesis inspired by nature

Biomineralization, the process by which biological systems direct the synthesis of inorganic structures from organic templates, is an exquisite example of nanomaterial self-assembly in nature. Its products include the shells of mollusks and the bones and teeth of vertebrates. By comparison, conventional inorganic synthesis techniques provide limited control over inorganic nanomaterial architecture. Inspired by biomineralization in nature, over the last two decades, the field of biotemplating has emerged as a new paradigm for inorganic nanomaterial assembly, wherein researchers seek to design novel nano-structures in which inorganic nanomaterial synthesis is directed from an underlying biomolecular template. Here, we review the motivation, mechanistic understanding, progress, and challenges for the field of biotemplating. We highlight the interdisciplinary nature of this field, and survey a broad range of examples of bio-templated engineering: ranging from strategies that exploit the inherent capabilities of proteins in nature, to genetically-engineered systems that unlock new capabilities for self-assembly with biomolecules. Here, we illustrate that the use of biological materials as templates for inorganic self-assembly holds tremendous potential for nanomaterial engineering, with applications that range from electronics and energy to medicine.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Complex reactions on a convertible catalyst surface: A study of the S-O-Cu system

The interaction of clean and partially oxidized Cu(110) with sulphur was studied by scanning tunneling microscopy and density functional theory calculations in the low-coverage range. On the clean Cu surface individual S atoms adsorb in the troughs between the Cu atom rows. Hollow sites are preferred, but long-bridge sites are occasionally occupied as well. The majority of adsorbed S, however, seems to be involved in the formation of highly mobile Cu x S y clusters of various sizes. The clusters preferentially attach to steps thus changing the step morphology completely. Some of the clusters form aggregates on the terraces. On the partially oxidized surface similar clusters form and cause long-range mass transport to steps. Additionally, nanowires form in [001] direction on and along the surface oxide stress domains. These nanowires have a complex composition, exhibit different corrugations and appear sometimes as three-dimensional needles. Occasionally they flip their direction by 90°, but doing so they partially decompose. Finally, annealing of the S-O-Cu surface leads to consumption of the surface oxide stripes indicating loss of oxygen presumably via SO 2 formation. Simultaneously, linear sulphur chains suspended between the [001] –O-Cu-O- chains form in [11¯0] direction. The surprising multitude of processes and products even at low-pressure, low-temperature conditions in the comparatively simple S-O-Cu system highlights the difficulty of controlling reactivity and selectivity on such convertible catalyst surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Rapid, efficient reduction of iron oxide with ammonia

Reducing iron oxide to iron metal with fossil fuels produces circa 4% of annual anthropogenic CO 2 , ca. 2 Gt/a, as direct chemical emissions from the process. Using ammonia instead of coke—releasing only water and nitrogen as byproducts—could be a widely deployable method of decarbonizing industrial ironmaking, because ammonia carries hydrogen and can be transported easily worldwide. However, initial reports suggest that the reaction of ammonia with iron oxide is slow and inefficient, completed only in hours and using only a few percent of the ammonia supplied. Drawing on thermodynamic and kinetic analysis of the reaction, we explored high-temperature, high-flow reaction conditions designed to increase the reaction rate and the ammonia utilization. We report the reduction of iron oxide in 1 min while using 64% of the ammonia supplied. We show that these insights translate to the gram scale and the reduction of pelletized ore, a common form used industrially.

36 MATERIALS SCIENCE↗