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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 1,189 records · Page 66

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DOE OSTI2019

Parametric optimization of fiber to waveguide coupler using Bragg gratings

The uniform grating coupler which consists of two pairs of reflector layers in the substrate region has been proposed to couple the optical power from single mode fiber to standard 220 nm silicon-on-insulator waveguide. The efficiency of ≈ 79% in a broadband 3 dB bandwidth of ≈ 150 nm is achieved for uniform Bragg grating coupler devices. Further, by making a sequence of chirped and uniform grating, the power coupling efficiency of ≈ 98% at 1550 nm wavelength and 3 dB bandwidth of 35 nm is achieved. The importance and benefits of reflector layers along with its parametric optimization is thoroughly investigated for the calculation of optimum coupling efficiency. This research mainly focus on fiber-to-waveguide/waveguide-to-fiber coupling design. The major contribution of the research focuses on compact and efficient optical interconnection of coupler devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2016

Exploring the interoperability of remote GPGPU virtualization using rCUDA and directive-based programming models

Directive-based programming models, such as OpenMP, OpenACC, and OmpSs, enable users to accelerate applications by using coprocessors with little effort. These devices offer significant computing power, but their use can introduce two problems: an increase in the total cost of ownership and their underutilization because not all codes match their architecture. Remote accelerator virtualization frameworks address those problems. In particular, rCUDA provides transparent access to any graphic processor unit installed in a cluster, reducing the number of accelerators and increasing their utilization ratio. Joining these two technologies, directive-based programming models and rCUDA, is thus highly appealing. In this work, we study the integration of OmpSs and OpenACC with rCUDA, describing and analyzing several applications over three different hardware configurations that include two InfiniBand interconnections and three NVIDIA accelerators. Our evaluation reveals favorable performance results, showing low overhead and similar scaling factors when using remote accelerators instead of local devices.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Finding Maximum Cliques on the D-Wave Quantum Annealer

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, and compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Electrosynthesis of Ti{sub 5}Si{sub 3}, Ti{sub 5}Si{sub 3}/TiC, and Ti{sub 5}Si{sub 3}/Ti{sub 3}SiC{sub 2} from Ti-Bearing Blast Furnace Slag in Molten CaCl{sub 2}

Ti{sub 5}Si{sub 3}, Ti{sub 5}Si{sub 3}/TiC, and Ti{sub 5}Si{sub 3}/Ti{sub 3}SiC{sub 2} have been electrochemically synthesized from the Ti-bearing blast furnace slag/TiO{sub 2} and/or C mixture precursors at a cell voltage of 3.8 V and 1223 K to 1273 K (950 °C to 1000 °C) in molten CaCl{sub 2}. The pressed porous mixture pellets were used as the cathode, and a solid oxide oxygen-ion-conducting membrane (SOM)-based anode was used as the anode. The phase composition and morphologies of the cathodic products were systematically characterized. The final products possess a porous nodular microstructure due to the interconnection of particles. The variations of impurity elements, i.e., Ca, Mg, and Al, have been analyzed, and the result shows that Ca and Mg can be almost completely removed; however, Al cannot be easily removed from the pellet due to the formation of Ti-Al alloys during the electroreduction process. The electroreduction process has also been investigated by the layer-depended phase composition analysis of the dipped/partially reduced pellets to understand the detailed reaction process. The results indicate that the electroreduction process of the Ti-bearing blast furnace slag/TiO{sub 2} and/or C mixture precursors can be typically divided into four periods, i.e., (i) the decomposition of initial Ca(Mg,Al)(Si,Al){sub 2}O{sub 6}, (ii) the reduction of Ti/Si-containing intermediate phases, (iii) the removal of impurity elements, and (iv) the formation of Ti{sub 5}Si{sub 3}, TiC, and Ti{sub 3}SiC{sub 2}. It is suggested that the SOM-based anode process has great potential to be used for the direct and facile preparation of Ti alloys and composites from cheap Ti-containing ores.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Effects of Powder Carrier on the Morphology and Compressive Strength of Iron Foams: Water vs Camphene

With its well-known popularity in structural applications, considerable attention has recently been paid to iron (Fe) and its oxides for its promising functional applications such as biodegradable implants, water-splitting electrodes, and the anode of lithium-ion batteries. For these applications, iron and its oxides can be even further utilized in the form of porous structures. In order to control the pore size, shape, and amount, we synthesized Fe foams using suspensions of micrometric Fe{sub 2}O{sub 3} powder reduced to Fe via freeze casting in water or liquid camphene as a solvent through sublimation of either ice or camphene under 5 pct H{sub 2}/Ar gas and sintering. We then compared them and found that the resulting Fe foam using water as a solvent (p = 71.7 pct) showed aligned lamellar macropores replicating ice dendrite colonies, while Fe foam using camphene as a solvent (p = 68.0 pct) exhibited interconnected equiaxed macropores replicating camphene dendrites. For all directions with respect to the loading axis, the compressive behavior of the water-based Fe foam with a directional elongated wall pore structure was anisotropic (11.6 ± 0.9 MPa vs 7.8 ± 0.8 MPa), whereas that of the camphene-based Fe foam with a random round pore structure was nearly isotropic (12.0 ± 1.1 MPa vs 11.6 ± 0.4 MPa).

36 MATERIALS SCIENCE↗

DOE OSTI2022

Impact of Gold Thickness on Interfacial Evolution and Subsequent Embrittlement of Tin–Lead Solder Joints

Although gold remains a preferred surface finish for components used in high-reliability electronics, rapid developments in this area have left a gap in the fundamental understanding of solder joint gold (Au) embrittlement. Furthermore, as electronic designs scale down in size, the effect of Au content is not well understood on increasingly smaller solder interconnections. As a result, previous findings may have limited applicability. The current study focused on addressing these gaps by investigating the interfacial microstructure that evolves in 63Sn-37Pb solder joints as a function of Au layer thickness. Those findings were correlated to the mechanical performance of the solder joints. Increasing the initial Au concentration decreased the mechanical strength of a joint, but only to a limited degree. Kirkendall voids were the primary contributor to low-strength joints, while brittle fracture within the intermetallic compounds (IMC) layers is less of a factor. The Au embrittlement mechanism appears to be self-limiting, but only once mechanical integrity is degraded. Sufficient void evolution prevents continued diffusion from the remaining Au.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Experimental and Modeling Studies on the Microstructures and Properties of Oxidized Aluminum Nitride Ceramic Substrates

Oxidation of aluminum nitride (AlN) ceramic substrates doped with 2 wt.% Y{sub 2}O{sub 3} was performed in air at temperatures ranging from 1000 to 1300 °C for various lengths of time. Microstructure, bending strength, and thermal conductivity of the oxidized AlN substrates were studied experimentally and also via mathematical models. The results show that the oxide layer formed on the AlN substrates is composed of α-Al{sub 2}O{sub 3} nanocrystallines and interconnected micropores. Longitudinal and transverse cracks are induced in the oxide layer under tensile and shear stresses, respectively. Intergranular oxidation of the AlN grains close to the oxide layer/AlN interface also occurs, leading to widening and cracking of the AlN grain boundaries. These processes result in the monotonous degradation of bending strength and thermal conductivity of the oxidized AlN substrates. Two mathematic models concerning these properties of the oxidized AlN substrates versus the oxide layer thickness were put forward. They fit well with the experimental results.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Facile and Green Preparation of Three-Dimensionally Nanoporous Copper Films by Low-Current Electrical Field-Induced Assembly of Copper Nanoparticles for Lithium-Ion Battery Applications

Porous copper (Cu) films were facilely and greenly fabricated by low-current electrical field-induced assembly of ~ 3 nm Cu nanoparticles (NPs) in several minutes using generated hydrogen bubbles as dynamic negative templates. The porous films had open three-dimensionally (3D) interconnected nanopores and uniform pore size distribution and exhibited a hierarchical structure composed of supraparticles that were further composed of the Cu NPs. Lattice-to-lattice connectivity in the self-assembly of the NPs in the 3D structures enables fast charge transport. The structure/morphology of the porous Cu materials can be tuned by adjusting the concentration of the additives, applied potential/current densities and assembly time. A growth mechanism of the porous films was reasonably proposed for the field-induced assembly of the Cu NPs. The porous Cu film-supported Si electrode showed high capacity of 1173 mAh g{sup −1} and retention rate of 87% after 10 cycles at 1 C. Our research sheds a light on preparing 3D nanoporous structures especially for suitable electrodes in electrochemical energy storage devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2019

Processing and Thermoelectric Properties of TiNiSn Materials: A Review

The half-Heusler alloy TiNiSn is a promising material for high-temperature thermoelectric applications due to its good thermal stability and semiconductor-like electrical properties. Numerous synthesis techniques have been utilized to make TiNiSn, but a comparative study on its thermoelectric properties with respect to processing parameters has not been reported. Based on published experimental data, primary melting methods, such as arc melting or induction levitation melting, do not have a noticeable effect on the final thermoelectric properties, although choice of densification technique and annealing parameters correlate with each thermoelectric property. Thermal conductivity (2.47-6.08 W/m K), governed by lattice scattering effects, was maximized with high density from the spark plasma sintering (SPS) technique as well with low inclusions of metallic impurities and interstitial Ni defects from low-temperature, non-densified processes. Electrical resistivity (4.75-30 µΩ m), inversely related to thermal conductivity, is minimized when density is maximized and chemical defects are favorable from using SPS. All reported TiNiSn alloys contain intermetallic impurities, imparting a global trend of lowered electrical resistivity. Seebeck coefficient (− 273.20 to − 50.71 µV/K), proportional to electrical resistivity, is maximized when charge carrier concentration is minimized by eliminating phase impurities and Ni defects. Porosity has been observed to scatter low-energy electrons, which can increase Seebeck coefficient and electrical resistivity, although no statistical significance is found. An ideal TiNiSn alloy should have intermediate values of all interconnected thermoelectric properties to maximize ZT. Future research work should strive to include quantitative phase analysis to better characterize the contributions of Ni defects and impurity phases toward thermoelectric properties.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Ethanol Monitoring Gas Sensor Based on Flower-Shaped Copper Sulfide by a Facile Hydrothermal Method for Marine Transportation

Flower-shaped CuS as a p-type gas-sensing material was synthesized by a facile hydrothermal method in this study. Morphology, structure, and chemical composition of the synthesized CuS gas-sensing material were analyzed by SEM, XRD, XPS, and N{sub 2} adsorption adsorption–desorption technique. Gas-sensing properties of the as-prepared CuS sensors were also investigated toward ethanol monitoring. The results showed that the flower-like CuS nanostructures consisted of interconnected nanosheets and exhibited good crystallinity. With the increase in ethanol concentration, the sensitivity of the CuS sensor significantly increased and indicated a roughly linear relationship at the optimal operating temperature of 260 °C. The ethanol-selective characteristics of the CuS sensor against other interfering gases including methanol, benzene, dichloromethane, and hexane were studied, and the gas response of the CuS sensor synthesized at 170 °C toward 100 ppm ethanol was 5.22, which was significantly higher than all the other gases. Moreover, 14-day continuous measurement further confirmed the excellent stability of the CuS sensor.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A Review of Interface Microstructures in Electronic Packaging Applications: Soldering Technology

Here, this report examines the role of interfaces in electronic packaging applications with the focus placed on soldering technology. Materials and processes are described with respect to their roles on the performance and reliability of associated interfaces. The discussion will also include interface microstructures created by coatings and finishes that are frequently used in packaging applications. Numerous examples are cited to illustrate the importance of interfaces in physical and mechanical metallurgy as well as the engineering function of interconnections. Regardless of the specific application, interfaces are non-equilibrium structures , which has important ramifications for the long-term reliability of electronic packaging.

42 ENGINEERING↗

DOE OSTI2025

Solute Redistribution During Aging in a Laser-Based Powder Bed Fusion-Produced Fe-18Ni-9Co-5Mo-Ti Maraging Steel

Solute distribution during the laser-based powder bed fusion of metals process is highly complex because of solidification. This study builds on a previous investigation of how solute heterogeneities across different scales influence phase distribution and aging physical phenomena in a Fe-18Ni-9Co-5Mo-Ti maraging steel (Santana et al. in Addit Manuf 104494, 2024). Previous work using energy-dispersive X-ray spectroscopy revealed heterogeneous Ni and Mo enrichment at intercellular regions. Using X-ray diffraction, 8 ± 3% retained austenite was quantified in as-built samples. Additionally, electron backscatter diffraction analysis exposed the location of retained austenite along cell boundaries. In this work, scanning transmission electron microscopy results revealed the presence of non-enriched retained austenite in the as-built condition. With increased aging temperature, Ni and Mo enrichment in austenite increased, especially at the austenite/martensite boundary. Solute diffusion was simulated in DICTRA Thermo-Calc® software to assess solute redistribution between the matrix and second phases and to comprehend whether elemental diffusion processes are interconnected. Three different scenarios were considered: (1) solute diffusion in the matrix; (2) diffusion with enriched austenite in the intercellular region; (3) diffusion with non-enriched austenite in the intercellular region. Results showed that Ni partitioning controls austenite growth and that boundary regions exhibit higher element enrichment than the core.

42 ENGINEERING↗

DOE OSTI2019

In Vitro Fabrication and Biocompatibility Assay of a Biomimetic Osteoblastic Niche

A novel HAp-CS/Gel biomimetic osteoblastic niche was fabricated by freeze-drying, and its mechanical strength and biocompatibility were characterized. HAp-CS/Gel scaffolds in various ratios of 100:5, 100:10, and 100:20 (CS/Gel to HAp) were prepared by freeze-drying prior to chemical cross-linking followed by infrared spectrum analysis, EDS, FITR, SEM, fluorescence microscopy, MTT, and ALP experiments. Results from the infrared spectrum analysis showed that HAp doping remained the surface morphology and the architecture of scaffold with interconnected pores in the size range of 135 to 150 μm. The HAp doping ratio of 100:20 was found to be optimal based on its high porosity of 90%, better water uptake folds of 19.1. In addition, EDS and FITR analyses demonstrated that HAps were uniformly distributed on the surface of a scaffold with aggregates and particles, which has sufficient roughness for cell attachment and proliferation of osteoblasts. Under SEM and fluorescent microscopy, osteoblasts seeded onto the scaffold showed evenly distributed viable cells, which is believed to form a biomimetic niche. In the present study, we further demonstrate that osteoblasts can maintain their function and grow well on the scaffold through MTT and ALP tests. Thus, the scaffold has favorable physical properties and biocompatibility to support the proliferation and differentiation of osteoblasts and further to support the constructs of biomimetic osteoblastic niche.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Organizational and psychological measures for data center energy efficiency: barriers and mitigation strategies

Abstract It was last estimated that in 2020, data centers comprised approximately 2% of total US electricity consumption, with an estimated annual growth rate of 4%. As our country increasingly relies on information technology (IT), our data centers (DCs) will need to increase their energy efficiency (EE) to stabilize their energy consumption. The task of studying EE in DCs is complicated by the interconnected nature of humans and mission-critical technical systems. Moreover, the literature tends to focus on technology solutions such as improvements to IT equipment, cooling infrastructure, and software, without addressing organizational and psychological drivers. Our research demystifies the complex interactions between humans and DCs, by asking What non-technical barriers impede EE investment decision-making and/or implementing energy management strategies? To begin to answer this question, we perform a literature review of 86 resources, ranging from peer-reviewed journal publications to handbooks. We also consider related fields such as organizational behavioral management and energy intensive buildings. We develop a public Zotero library, perform content coding, and complete a rudimentary network analysis. Our findings from the literature review suggest that (1) technological solutions are abundant in the literature but fall short of providing practical guidance on the pitfalls of implementation, (2) making energy efficiency a priority at the executive level of organizations will be largely ineffective if the IT and facilities staff are not directly incentivized to increase EE, and (3) there is minimal current understanding of how the individual psychologies of IT and facilities staff affect EE implementation in DCs. In the next phase of our research, we plan to interview data center operators/experts to ground-truth our literature findings and collaboratively design decarbonization policy solutions that target organizational structure, empower individual staff, and foster a supportive external market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Cayley fuzzy graphs on the fuzzy groups

Given non-trivial group G and a non-empty subset S of G such that not containing the identity element of G and S=S{sup −1}:={s"−"1∣s∈S}, the Cayley graph Γ=Cay(G,S) is the graph whose vertex set V(Γ) is G, and edge set E(Γ) is {{g,sg}∣g∈G,s∈S}. The Cayley graphs are presently being considered as models architecture for interconnection networks. When there is an uncertainty on vertices or edges, fuzzy graph has special importance. In this paper, we develop the concept of Cayley fuzzy graphs on the fuzzy groups and investigate some basic properties of Cayley fuzzy graphs. We introduce some sufficient conditions on the fuzzy graphs that under it’s, a fuzzy graph is a Cayley fuzzy graph and discuss some operations of the fuzzy graphs on the Cayley fuzzy graphs, prove that the product of two Cayley fuzzy graphs is a Cayley fuzzy graph, for some products. Also we provide an application of Cayley fuzzy graphs, and use Dijkstra’s Algorithm for finding the fuzzy shortest path in a Cayley fuzzy graph.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Investigation into the Development and Testing of a Simplex Capacitance Sensor for Rotor Tip Clearance Measurement in Turbo Machinery

The rotor tip clearance is a vital parameter to characterize turbomachinery performance. It is an essential measurement during engine development and testing. The efficiency of the major modules like fan, compressor and turbine depends on the optimum running clearances. The capacitive sensor is preferred for tip clearance measurements because of various inherent advantages. They are fabricated through complex processes for turbomachinery application and are expensive. These sensors are exposed to harsh engine environments and are likely to exhibit degraded performance. Insulation failure at sensing head, connector contamination and micro-cracks in the MI (Mineral Insulated) cable leads to noise in the signal output. Frequent mechanical failures are also seen due to work hardening of MI cables, lead connector detachments and failure of micro fins at interconnects. Fault fixing of these is tedious and very expensive. This paper presents the concerted effort in developing a simple capacitance sensor addressing potential sensor failure issues. The design features include simple construction, ease of sensor assembly, component realization and troubleshooting. The design also addresses all safety requirements. The sensor has a large sensing area (7.6 mm diameter) producing very stable, high-level signal. The developed sensor produces output that varies from 1 V{sub P-P} to 11 V{sub P-P} for blade-tip gaps between 3 mm to 0.4 mm respectively. Blade pass simulation studies across the sensor, display almost flat response at minimum clearance. This feature results in very minimal data acquisition errors. The sensor along with RC (Resistance-Capacitance) conditioning electronics was successfully used for clearance measurement on fan stage of gas turbine engine. Test results are in line with the predictions. Extensive tip clearance measurements on the engine validate the design. The current work provides an insight into the development of a simplex capacitance sensor for tip clearance measurement.

42 ENGINEERING↗

DOE OSTI2019

Boosting High-Rate Zinc-Storage Performance by the Rational Design of Mn 2 O 3 Nanoporous Architecture Cathode

Manganese oxides are regarded as one of the most promising cathode materials in rechargeable aqueous Zn-ion batteries (ZIBs) because of the low price and high security. However, the practical application of Mn 2 O 3 in ZIBs is still plagued by the low specific capacity and poor rate capability. Herein, highly crystalline Mn 2 O 3 materials with interconnected mesostructures and controllable pore sizes are obtained via a ligand-assisted self-assembly process and used as high-performance electrode materials for reversible aqueous ZIBs. The coordination degree between Mn 2+ and citric acid ligand plays a crucial role in the formation of the mesostructure, and the pore sizes can be easily tuned from 3.2 to 7.3 nm. Ascribed to the unique feature of nanoporous architectures, excellent zinc-storage performance can be achieved in ZIBs during charge/discharge processes. The Mn 2 O 3 electrode exhibits high reversible capacity (233 mAh g -1 at 0.3 A g -1 ), superior rate capability (162 mAh g -1 retains at 3.08 A g -1 ) and remarkable cycling durability over 3000 cycles at a high current rate of 3.08 A g -1 . Moreover, the corresponding electrode reaction mechanism is studied in depth according to a series of analytical methods. These results suggest that rational design of the nanoporous architecture for electrode materials can effectively improve the battery performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Catalytic disproportionation on carbon superstructures enables long-life, high-loading Li–S batteries

Electrocatalysis has been widely explored as an effective strategy to accelerate polysulfide (PS) conversion and suppress the shuttle effect in lithium–sulfur (Li–S) batteries. However, the underlying mechanisms remain elusive, and electrocatalytic reactions are inactive during cell resting. In this work, we reveal and quantitatively analyze a previously unrecognized sulfur reduction route (SRR) driven by catalytic disproportionation at the carbon cathode surface—fundamentally distinct from conventional electrocatalysis. Unlike conventional stepwise pathways, this SRR enables high-order polysulfides (Sₓ²⁻, x = 5–8) to directly convert into S₈ and Li₂S₂, bypassing low-order intermediates. This sulfur-reduction shortcut is systematically elucidated through high-performance liquid chromatography, revealing the intrinsic catalytic contribution of carbon frameworks and the dynamic evolution of PS species. We demonstrate that carbon superstructures (CSS-0.5), assembled from nanosheet subunits with abundant N/O functionalities and interconnected charge-migration channels, synergistically promote this catalytic process. Benefiting from these features, CSS-0.5 delivers superior electrochemical performance under practical conditions, enabling high sulfur loading (6.0 mg cm⁻²) pouch cells with 80.5% capacity retention over 210 cycles. This study provides the first quantitative evidence of electrocatalytic disproportionation in Li–S batteries, offering mechanistic insights and design principles for advanced sulfur cathodes.

25 ENERGY STORAGE↗