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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Engineering on-chip nanoporous gold material libraries via precision photothermal treatment [Precision Photothermal Annealing of Nanoporous Gold Thin Films for the Microfabrication of a Single-ship Material Libraries]

Single-chip material libraries of thin films of nanostructured materials are a promising approach for high throughput studies of structure-property relationship in the fields of physics and biology. Nanoporous gold (np-Au), produced by an alloy corrosion process, is a nanostructured material of specific interest in both these fields. One attractive property of np-Au is its self-similar coarsening behavior by thermally induced surface diffusion. However, traditional heat application techniques for the modification of np-Au are bulk processes that cannot be used to generate a library of different pore sizes on a single chip. Laser micromachining offers an attractive solution to this problem by providing a means to apply energy with high spatial and temporal resolution. In our present study we use finite element multiphysics simulations to predict the effects of laser mode (continuous-wave vs. pulsed) and supporting substrate thermal conductivity on the local np-Au film temperatures during photothermal annealing and subsequently investigate the mechanisms by which the np-Au network is coarsening. Our simulations predict that continuous-wave mode laser irradiation on a silicon supporting substrate supports the widest range of morphologies that can be created through the photothermal annealing of thin film np-Au. Using this result we successfully fabricate a single-chip material library consisting of 81 np-Au samples of 9 different morphologies for use in increased throughput material interaction studies.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Engineering the mechanical properties of ultrabarrier films grown by atomic layer deposition for the encapsulation of printed electronics

Direct deposition of barrier films by atomic layer deposition (ALD) onto printed electronics presents a promising method for packaging devices. Films made by ALD have been shown to possess desired ultrabarrier properties, but face challenges when directly grown onto surfaces with varying composition and topography. Challenges include differing nucleation and growth rates across the surface, stress concentrations from topography and coefficient of thermal expansion mismatch, elastic constant mismatch, and particle contamination that may impact the performance of the ALD barrier. In such cases, a polymer smoothing layer may be needed to coat the surface prior to ALD barrier film deposition. We present the impact of architecture on the performance of aluminum oxide (Al{sub 2}O{sub 3})/hafnium oxide (HfO{sub 2}) ALD nanolaminate barrier films deposited on fluorinated polymer layer using an optical calcium (Ca) test under damp heat. It is found that with increasing polymer thickness, the barrier films with residual tensile stress are prone to cracking resulting in rapid failure of the Ca sensor at 50 °C/85% relative humidity. Inserting a SiN{sub x} layer with residual compressive stress between the polymer and ALD layers is found to prevent cracking over a range of polymer thicknesses with more than 95% of the Ca sensor remaining after 500 h of testing. These results suggest that controlling mechanical properties and film architecture play an important role in the performance of direct deposited ALD barriers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Water Migration and Swelling in Engineered Barrier Materials for Radioactive Waste Disposal

Deep, underground repositories are needed to isolate radioactive waste from the biosphere. Because bentonite is an integral component of many multibarrier repository systems, information on the hydraulic behavior of bentonite is crucial for modeling the long-term viability of such systems. In this paper the hydraulic behavior of bentonite samples was analyzed as a function of aggregate size, and samples were subjected to hydrothermal treatments involving contact with NaCl, KCl, and deionized water. Neutron and X-ray imaging were used to quantify water sorption into packed bentonite samples and bentonite swelling into the water column. The distance between the original clay-water interface and the wetting front was determined as a function of time. Average water uptake exhibited a square-root-of-time dependence in freshly prepared samples, but more variable rates were observed for samples previously in contact with water. The radiography was supported by small-angle neutron scattering analysis and ultra-small-angle neutron scattering analysis of aggregate size distributions and by inelastic neutron scattering to understand the physicochemical environment of the sorbed water. Results showed that hydrothermal treatment with KCl had the greatest effect of increased water transport in the bentonite, possibly as a result of the interaction of K + with smectite layers in the clay.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Integrated Computational Materials Engineering (ICME) Tools for Optimizing Strength of Forged Al-Li Turbine Blades for Aircraft Engines Final Report CRADA No. TC02238.0

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and LIFT Consortium to develop, implement and validate a defect physics-based model to predict mechanical properties of forged Al-Li alloys. LLNL task was to conduct dislocation dynamics simulations of the interaction of dislocations with the primary precipitates providing strength of proposed Al-Li alloys.

42 ENGINEERING↗
DOE OSTI2014

Sensitivity Analysis of Wind Plant Performance to Key Turbine Design Parameters: A Systems Engineering Approach; Preprint

This paper introduces the development of a new software framework for research, design, and development of wind energy systems which is meant to 1) represent a full wind plant including all physical and nonphysical assets and associated costs up to the point of grid interconnection, 2) allow use of interchangeable models of varying fidelity for different aspects of the system, and 3) support system level multidisciplinary analyses and optimizations. This paper describes the design of the overall software capability and applies it to a global sensitivity analysis of wind turbine and plant performance and cost. The analysis was performed using three different model configurations involving different levels of fidelity, which illustrate how increasing fidelity can preserve important system interactions that build up to overall system performance and cost. Analyses were performed for a reference wind plant based on the National Renewable Energy Laboratory's 5-MW reference turbine at a mid-Atlantic offshore location within the United States.

17 WIND ENERGY↗
DOE OSTI2019

Engineering Fe–Fe3C@Fe–N–C Active Sites and Hybrid Structures from Dual Metal–Organic Frameworks for Oxygen Reduction Reaction in H2–O2 Fuel Cell and Li–O2 Battery

Dual metal-organic frameworks (MOFs, i.e., MIL-100(Fe) and ZIF-8) are thermally converted into Fe-Fe3C-embedded Fe-N-codoped carbon as platinum group metal (PGM)-free oxygen reduction reaction (ORR) electrocatalysts. Pyrolysis enables imidazolate in ZIF-8 rearranged into highly N-doped carbon, while Fe from MIL-100(Fe) into N-ligated atomic sites concurrently with a few Fe-Fe3C nanoparticles. Upon precise control of MOF compositions, the optimal catalyst is highly active for the ORR in half-cells (0.88 V in base and 0.79 V versus RHE in acid in half-wave potential), a proton exchange membrane fuel cell (0.76 W cm(-2) in peak power density) and an aprotic Li-O-2 battery (8749 mAh g(-1) in discharge capacity), representing a state-of-the-art PGM-free ORR catalyst. In the material, amorphous carbon with partial graphitization ensures high active site exposure and fast charge transfer simultaneously. Macropores facilitate mass transport to the catalyst surface, followed by oxygen penetration in micropores to reach the infiltrated active sites. Further modeling simulations shed light on the true Fe-Fe3C contribution to the catalyst performance, suggesting Fe3C enhances oxygen affinity, while metallic Fe promotes *OH desorption as the rate-determining step at the nearby Fe-N-C sites. These findings demonstrate MOFs as model system for rational design of electrocatalyst for energy-based functional applications.

battery↗
DOE OSTI2018

Photoactive Blend Morphology Engineering through Systematically Tuning Aggregation in All-Polymer Solar Cells

Polymer aggregation plays a critical role in the miscibility of materials and the performance of all-polymer solar cells (APSCs). However, many aspects of how polymer texturing and aggregation affect photoactive blend film microstructure and photovoltaic performance are poorly understood. Here the effects of aggregation in donor–acceptor blends are studied, in which the number-average molecular weights (Mns) of both an amorphous donor polymer, poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b;4,5-b]dithiophene-2,6-diyl-alt-(4-(2-ethylhexyl)-3-fluorothieno[3,4-b]thiophene-)-2-carboxylate-2-6-diyl)] (PBDTT-FTTE) and a semicrystalline acceptor polymer, poly{[N,N'-bis(2-octyldodecyl)naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)} (P(NDI2OD-T2)) are systematically varied. The photovoltaic performance is correlated with active layer microstructural and optoelectronic data acquired by in-depth transmission electron microscopy, grazing incidence wide-angle X-ray scattering, thermal analysis, and optical spectroscopic measurements. Coarse-grained modeling provides insight into the effects of polymer aggregation on the blend morphology. Notably, the computed average distance between the donor and the acceptor polymers correlates well with solar cell photovoltaic metrics such as short-circuit current density (Jsc) and represents a useful index for understanding/predicting active layer blend material intermixing trends. Importantly, these results demonstrate that for polymers with different texturing tendencies (amorphous/semicrystalline), the key for optimal APSC performance, photovoltaic blend morphology can be controlled via both donor and acceptor polymer aggregation.

bio-inspired↗
DOE OSTI2019

Amphoteric Indium Enables Carrier Engineering to Enhance the Power Factor and Thermoelectric Performance in n -Type Ag n Pb 100 In n Te 100+2 n (LIST)

The Ag and In co-doped PbTe, Ag n Pb 100 In n Te 100+2n (LIST), exhibits n-type behavior and features unique inherent electronic levels that induce self-tuning carrier density. Results show that In is amphoteric in the LIST, forming both In 3+ and In 1+ centers. Through unique interplay of valence fluctuations in the In centers and conduction band filling, the electron carrier density can be increased from ≈3.1 × 10 18 cm -3 at 323 K to ≈2.4 × 10 19 cm -3 at 820 K, leading to large power factors peaking at ≈16.0 μWcm -1 K -2 at 873 K. The lone pair of electrons from In + can be thermally continuously promoted into the conduction band forming In 3+ , consistent with the amphoteric character of In. Moreover, with rising temperature, the Fermi level shifts into the conduction band, which enlarges the optical band gap based on the Moss–Burstein effect, and reduces bipolar diffusion and thermal conductivity. Adding extra Ag in LIST improves the electrical transport properties and meanwhile lowers the lattice thermal conductivity to ≈0.40 Wm -1 K -1 . Here, the addition of Ag creates spindle-shaped Ag 2 Te nanoprecipitates and atomic-scale interstitials that scatter a broader set of phonons. As a result, a maximum ZT value ≈1.5 at 873 K is achieved in Ag 6 Pb 100 InTe 102 (LIST).

36 MATERIALS SCIENCE↗