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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Robust UHTC for Sharp Leading Edge Applications

Ultrahigh temperature ceramics have performed unreliably due to material flaws and attachment design. These deficiencies are brought to the fore by the low fracture toughness and thermal shock resistance of UHTCs. If these deficiencies are overcome, we are still faced with poor oxidation resistance as a limitation on UHTC applicability to reusable launch vehicles. We have been addressing the deficiencies of UHTCs for the past year via a small task at GRC that is part of the 3rd Gen TPS effort. Our focus is on composite constructions and functional grading to address the mechanical issues and on composition modification to address the oxidation issue. The approaches and progress will be reported.

Levine, Stanley R.↗
NASA NTRS2003

UHTC for Sharp Leading Edges

Ultrahigh temperature ceramics have performed unreliably due to material flaws and attachment design. These deficiencies are brought to the fore by the low fracture toughness and thermal shock resistance of UHTCs. If these deficiencies are overcome, we are still faced with poor oxidation resistance as a limitation on UHTC applicability to reusable launch vehicles. We have been addressing the deficiencies of UHTCs for the past year via a small task at GRC that is part of the 3rd Gen TPS effort. Our focus is on composite constructions and functional grading to address the mechanical issues and on composition modification to address the oxidation issue. The approaches and progress will be reported.

Levine, Stanley R.↗
NASA NTRS1995

A new merit function for evaluating the flaw tolerance of composite laminates

Advanced composite materials are providing notable savings in numerous aerospace and non-aerospace applications by virtue of their uniquely high strength-to-density ratio and high stiffness-to-density ratio. However, their full potential for high performance has yet to be achieved because of the low tolerance of the 'brittle' material to impact, holes, flaws, and localized discontinuities due to relatively low toughness. In the present paper a new and simple merit function is proposed for maximizing the strength performance of flawed composite laminate for different design requirement. This new merit function takes into account the flaw tolerance of a composite laminated as well as its stiffness. After development of the new merit function, an example is presented of its application to a practical laminate family.

Mikulas, Martin M., Jr.↗
NASA NTRS2005

Mechanical Properties and Microstructure Investigation of Lead Free Solder

While the electronics industry appears to be focusing on Sn-Ag-Cu as the alloy of choice for lead free electronics assembly, ,the exact composition varies by geographic region, supplier and user. Add to that dissolved copper and silver from the printed circuit board traces and surface finish, and there can be significant variation in the final solder joint composition. A systematic study of the mechanical and microstructural properties of Sn-Ag-Cu alloys with Ag varying from 2wt% to 4wt% and Cu varying from 0.5wt% to lSwt%, was undertaken in this research study. Different sample preparation techniques (water quenched, oil quenched and water quenched followed by reflow) were explored and the resulting microstructure compared to that of a typical reflowed lead free chip scale package (CSP) solder joint. Tensile properties (modulus, 0.2% yield strength and the ultimate tensile strength) and creep behavior of selected alloy compositions (Sn-4Ag-1 X u , Sn-4Ag-OSCu, Sn- 2Ag-1 X u , Sn-2Ag-OSCu, Sn-3.5Ag-O.SCu) were determined for three conditions: as- cast; aged for 100 hours at 125OC; and aged for 250 hours at 125OC. There was no significant difference in Young's Modulus as a function of alloy composition. After an initial decrease in modulus after 100 hours at 125"C, there was an insignificant change with further aging. The distribution of 0.2% strain yield stress and ultimate tensile strength as a function of alloy composition was more significant and decreased with aging time and temperature. The microstructures of these alloys were examined using light and scanning electron microscopy (LM and SEM) respectively and SEM based energy dispersive x-ray spectroscopy (EDS). Fracture surface and cross-section analysis were performed on the specimens after creep testing. The creep testing results and the effect of high temperature aging on mechanical properties is presented for the oil quenched samples. In general the microstructure of oil quenched specimen exhibited a eutectic region of Sn with moderately dispersed Ag3Sn intermetallic, surrounded by a dendritic Sn-rich phase. The SEM images of the fracture surface indicated the presence of a tough shear surface at the initial cavity break area and a break line in the middle of specimen along the failure direction. A hyperbolic-sine creep model was adopted and used to fit the creep experiment data. The effect on the mechanical properties by adding the quaternary element bismuth to the Sn-3.5Ag-0.8Cu alloy was measured and compared with the mechanical properties of the ternary alloys. The results of this research study provide necessary data for the modeling of solder joint reliability for a range of Sn-Ag-Cu compositions and a baseline for evaluating the effects of subsequent quaternary additions.

Wang, Qing↗
DOE OSTI2017

A large scale system approach for stability analysis of multi-unit SMR plants - 248

In this paper we present a framework based on large scale system theory for analyzing the stability of coupled advanced high temperature molten salt small modular reactors. It has been suggested that small modular reactors be coupled through a common molten salt energy repository, called a salt vault. Using vector Lyapunov functions the connective stability of multiple reactors coupled through a salt vault can be guaranteed. In this theory, scalar Lyapunov functions are assigned to portions of the composite system state space. Functions are constructed for each small modular reactor (SMR), each Brayton cycle, and the salt vault. These functions are then aggregated, becoming components of a vector Lyapunov function. If this vector function possesses special properties, the composite system is stable. Bounds on the connective stability of a multi-reactor plant can be found in terms of a free parameter, in this case the mass of molten salt in the salt vault. Examining bounds on the connective stability allows one to use control theory as a tool for making performance and economic design decisions related to the size of the salt vault. This technique can produce a constraint that is used in a design optimization problem for finding the smallest-possible salt vault that ensures stability. It can also be used as an indicator of interconnection and its effect on system behavior. This, in turn, could be used to guide multi-unit control system design to ensure that highly coupled systems behave favorably. The theory for multi-unit control and operation is discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Density Functional Theory Investigation of the NiO@Graphene Composite as a Urea Oxidation Catalyst in the Alkaline Electrolyte

Developing efficient and low-cost urea oxidation reaction (UOR) catalysts is a promising but still challenging task for environment and energy conversion technologies such as wastewater remediation and urea electrolysis. In this work, NiO nanoparticles that incorporated graphene as the NiO@Graphene composite were constructed to study the UOR process in terms of density functional theory. The single-atom model, which differed from the previous heterojunction model, was employed for the adsorption/desorption of urea and CO 2 in the alkaline media. As demonstrated from the calculated results, NiO@Graphene prefers to adsorb the hydroxyl group than urea in the initial stage due to the stronger adsorption energy of the hydroxyl group. After NiOOH@Graphene was formed in the alkaline electrolyte, it presents excellent desorption energy of CO 2 in the rate-determining step. Electronic density difference and the d band center diagram further confirmed that the Ni(III) species is the most favorable site for urea oxidation while facilitating charge transfer between urea and NiO@Graphene. Moreover, graphene provides a large surface for the incorporation of NiO nanoparticles, enhancing the electron transfer between NiOOH and graphene and promoting the mass transport in the alkaline electrolyte. Notably, this work provides theoretical guidance for the electrochemical urea oxidation work.

25 ENERGY STORAGE↗
DOE OSTI2020

Chemical short-range order in derivative Cr–Ta–Ti–V–W high entropy alloys from the first-principles thermodynamic study

The development of high-entropy alloys (HEAs) focuses on exploring compositional regions in multi-component systems with all alloy elements in equal or near-equal atomic concentrations. Initially it was based on the main idea that high mixing configurational entropy contributions to the alloy free energy could promote the formation of a single solid solution phase. By using the ab-initio based Cluster Expansion (CE) Hamiltonian model constructed for the quinary bcc Cr–Ta–Ti–V–W system in combination with Monte Carlo (MC) simulations, we show that the phase stability and chemical short-range order (SRO) of the equiatomic quinary and five sub-quaternary systems, as well as their derivative alloys, can dramatically change the order–disorder transition temperatures (ODTT) as a function of alloy compositions. In particular, it has been found, that the equiatomic quaternary Ta–Ti–V–W and Cr–Ta–Ti–W alloys had the lowest order–disorder transition temperature (500 K) among all the analysed equiatomic compositions. In all investigated alloy systems, the strongest chemical ordering has been observed between Cr and V, which led to the conclusion that decreasing the concentration of either Cr or V might be beneficial in terms of decreasing the ODTT. It also predicts that increasing concentration of Ti significantly decreases the ODTT. Our analysis of chemical SRO as a function of alloy composition allows to understand the microstructure evolution of HEAs as a function of temperature in excellent agreement with available experimental observations. Importantly, our free energy of mixing and SRO calculations predict that the origin of precipitates formed by Cr- and V-rich in the sub-quaternary Cr–Ta–V–W system is driven by the thermodynamics. The modelling results are in an excellent agreement with experimental observation of Cr and V segregation in the W 0.38 Ta 0.36 Cr 0.15 V 0.11 alloy which in turns shows an exceptional radiation resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Amorphous transparent conducting oxides in context: Work function survey, trends, and facile modification

The work functions of various amorphous and crystalline transparent conducting oxides (TCO5) were measured using Kelvin probe. The films, made by pulsed laser deposition, exhibited varying work functions dependent on the composition and deposition parameters. Tin oxide showed the largest work functions of the oxides measured, while zinc oxide showed the lowest. Binary and ternary combinations of the basis TCOs showed intermediate work functions dependent on the endpoint components. Amorphous TCO5, important in OPV and other technological applications, exhibited similar work functions to their crystalline counterparts. UV/ozone treatment of TCOs temporarily increased the work function, consistent with proposed defect mechanisms associated with near-surface changes in carrier content and Fermi level. Finally, a method for facile adjustment of the work function of commercial TCOs by atomic layer deposition (ALD) capping layers was presented, illustrated by the growth of zinc oxide layers on commercial crystalline ITO films.

Yeh, T. C.↗
NASA NTRS2023

Leaf Functional Traits in Relation to Species Composition in an Arctic–Alpine Tundra Grassland

The relict arctic–alpine tundra provides a natural laboratory to study the potential impacts of climate change and anthropogenic disturbance on tundra vegetation. The Nardus stricta-dominated relict tundra grasslands in the Krkonoše Mountains have experienced shifting species dynamics over the past few decades. Changes in species cover of the four competing grasses—Nardus stricta, Calamagrostis villosa, Molinia caerulea, and Deschampsia cespitosa—were successfully detected using orthophotos. Leaf functional traits (anatomy/morphology, element accumulation, leaf pigments, and phenolic compound profiles), were examined in combination with in situ chlorophyll fluorescence in order to shed light on their respective spatial expansions and retreats. Our results suggest a diverse phenolic profile in combination with early leaf expansion and pigment accumulation has aided the expansion of C. villosa, while microhabitats may drive the expansion and decline of D. cespitosa in different areas of the grassland. N. stricta—the dominant species—is retreating, while M. caerulea did not demonstrate significant changes in territory between 2012 and 2018. We propose that the seasonal dynamics of pigment accumulation and canopy formation are important factors when assessing potential “spreader” species and recommend that phenology be taken into account when monitoring grass species using remote sensing.

Lena Hunt↗
DOE OSTI2024

Aluminum/SmCo 5 composites for structural and magnetic applications

Metal-bonded magnetic composites (MBMCs) present a promising alternative to dense sintered magnets, particularly for intricate components. Compared to polymer-based bonded magnets, MBMCs have wider applicability in harsh environments. In this paper, we demonstrate a solid-state shear-based manufacturing technique to introduce localized magnetization into a paramagnetic aluminum matrix by embedding SmCo5 permanent magnet particles. Our magnetic composites display hard magnetic behavior with a coercivity of 13 kOe and a remanent magnetization of 4.32 emu/g. In addition to magnetization, we also report a 9% improvement in Young’s modulus. Despite the local temperature rise during processing, the magnetic phases didn’t decompose into unwanted phases, preserving the composite's hard magnetic properties. Creation of an interfacial metallurgical bond with the matrix ensured the suitability of the composites for structural applications. Our study investigates the mechanical, and functional properties of composites, paving the way for lightweight structural magnetic composites with a transformative potential in the aerospace, nuclear, and automotive applications. This work underscores the potential for further optimization and development to drive innovations in magnet and equipment design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

J-PLUS: Spectral evolution of white dwarfs by PDF analysis

We estimated the spectral evolution of white dwarfs with effective temperature using the Javalambre Photometric Local Universe Survey (J-PLUS) second data release (DR2), which provides 12 photometric optical passbands over 2176 deg 2 . We analyzed 5926 white dwarfs with r ≤ 19.5 mag in common between a white dwarf catalog defined from Gaia EDR3 and J-PLUS DR2. We performed a Bayesian analysis by comparing the observed J-PLUS photometry with theoretical models of hydrogen- and helium-dominated atmospheres. We estimated the probability distribution functions for effective temperature (T eff ), surface gravity, parallax, and composition; and the probability of having a H-dominated atmosphere (p H ) for each source. We applied a prior in parallax, using Gaia EDR3 measurements as a reference, and derived a self-consistent prior for the atmospheric composition as a function of T eff . We described the fraction of white dwarfs with a He-dominated atmosphere (f He ) with a linear function of the effective temperature at 5000 < T eff < 30 000 K. We find f He = 0.24 ± 0.01 at T eff = 10 000 K, a change rate along the cooling sequence of 0.14 ± 0.02 per 10 kK, and a minimum He-dominated fraction of 0.08 ± 0.02 at the high-temperature end. We tested the obtained p H by comparison with spectroscopic classifications, finding that it is reliable. We estimated the mass distribution for the 351 sources with distance d < 100 pc, mass M > 0.45 M ⊙ , and T eff > 6000 K. The result for H-dominated white dwarfs agrees with previous studies, with a dominant M = 0.59 M ⊙ peak and the presence of an excess at M ~ 0.8 M ⊙ . This high-mass excess is absent in the He-dominated distribution, which presents a single peak. The J-PLUS optical data provide a reliable statistical classification of white dwarfs into H- and He-dominated atmospheres. We find a 21 ± 3% increase in the fraction of He-dominated white dwarfs from T eff = 20 000 K to T eff = 5000 K.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Compositional dependence of Young's moduli for amorphous FeCo-SiO{sub 2} thin films

Systematic force-deflection measurements with microcantilevers and a combinatorial-deposition method have been used to investigate the Young's moduli of amorphous composite FeCo-SiO{sub 2} thin films as a function of film composition, with high compositional resolution. It is found that the modulus decreases monotonically with increasing FeCo content. Such a trend can be explained in terms of the metalloid atoms having a significant effect on the Young's moduli of metal-metalloid composites, which is associated with the strong chemical interaction between the metalloid and themetallic atoms rather than that between the metallic components themselves. This work provides an efficient and effective method to study the moduli of magnetic thin films over a largecomposition coverage, and to compare the relative magnitudes of moduli for differentcompositions at high compositional resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Soot and Spectral Radiation Modeling for a High-Pressure Turbulent Spray Flame

Simulations are performed of a transient high-pressure turbulent n-dodecane spray flame under engine-relevant conditions. An unsteady RANS formulation is used, with detailed chemistry, a semi-empirical two-equation soot model, and a particle-based transported composition probability density function (PDF) method to account for unresolved turbulent fluctuations in composition and temperature. Results from the PDF model are compared with those from a locally well-stirred reactor (WSR) model to quantify the effects of turbulence-chemistry-soot interactions. Computed liquid and vapor penetration versus time, ignition delay, and flame lift-off height are in good agreement with experiment, and relatively small differences are seen between the WSR and PDF models for these global quantities. Computed soot levels and spatial soot distributions from the WSR and PDF models show large differences, with PDF results being in better agreement with experimental measurements. An uncoupled photon Monte Carlo method with line-by-line spectral resolution is used to compute the spectral intensity distribution of the radiation leaving the flame. This provides new insight into the relative importance of molecular gas radiation versus soot radiation, and the importance of turbulent fluctuations on radiative heat transfer.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Diverse ATPase Proteins in Mobilomes Constitute a Large Potential Sink for Prokaryotic Host ATP

Prokaryote mobilome genomes rely on host machineries for survival and replication. Given that mobile genetic elements (MGEs) derive their energy from host cells, we investigated the diversity of ATP-utilizing proteins in MGE genomes to determine whether they might be associated with proteins that could suppress related host proteins that consume energy. A comprehensive search of 353 huge phage genomes revealed that up to 9% of the proteins have ATPase domains. For example, ATPase proteins constitute ~3% of the genomes of Lak phages with ~550 kbp genomes that occur in the microbiomes of humans and other animals. Statistical analysis shows the number of ATPase proteins increases linearly with genome length, consistent with a large sink for host ATP during replication of megaphages. Using metagenomic data from diverse environments, we found 505 mobilome proteins with ATPase domains fused to diverse functional domains. Among these composite ATPase proteins, 61.6% have known functional domains that could contribute to host energy diversion during the mobilome infection cycle. As many have domains that are known to interact with nucleic acids and proteins, we infer that numerous ATPase proteins are used during replication and for protection from host immune systems. We found a set of uncharacterized ATPase proteins with nuclease and protease activities, displaying unique domain architectures that are energy intensive based on the presence of multiple ATPase domains. In many cases, these composite ATPase proteins genomically co-localize with small proteins in genomic contexts that are reminiscent of toxin-antitoxin systems and phage helicase-antibacterial helicase systems. Small proteins that function as inhibitors may be a common strategy for control of cellular processes, thus could inspire future biochemical experiments for the development of new nucleic acid and protein manipulation tools, with diverse biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

KOH based selective wet chemical etching of AlN, Al{sub x}Ga{sub 1−x}N, and GaN crystals: A way towards substrate removal in deep ultraviolet-light emitting diode

A controllable and smooth potassium hydroxide-based wet etching technique was developed for the AlGaN system. High selectivity between AlN and Al{sub x}Ga{sub 1−x}N (up to 12×) was found to be critical in achieving effective substrate thinning or removal for AlGaN-based deep ultraviolet light emitting diodes, thus increasing light extraction efficiency. The mechanism of high selectivity of AlGaN as a function of Al composition can be explained as related to the formation and dissolution of oxide/hydroxide on top of N-polar surface. Cross-sectional transmission electron microscopic analysis served as ultimate proof that these hillocks were not related to underlying threading dislocations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

Densities of Pb-Sn alloys during solidification

Data for the densities and expansion coefficients of solid and liquid alloys of the Pb-Sn system are consolidated in this paper. More importantly, the data are analyzed with the purpose of expressing either the density of the solid or of the liquid as a function of its composition and temperature. In particular, the densities of the solid and of the liquid during dendritic solidification are derived. Finally, the solutal and thermal coefficients of volume expansion for the liquid are given as functions of temperature and composition.

Poirier, D. R.↗
DOE OSTI2011

Materials and Electrical Characterization of Physical Vapor Deposited LaxLu1-xO3 Thin Films on 300 mm Silicon

La{sub x}Lu{sub 1-x}O{sub 3} thin films were deposited on 300 mm silicon wafers by physical vapor deposition and fabricated into field-effect transistors using a gate-first process flow. The films were characterized using transmission electron microscopy, Rutherford backscattering spectrometry, and synchrotron x-ray diffraction. The results show the films remain amorphous even at temperatures of 1000 C. The dielectric properties of La{sub x}Lu{sub 1-x}O{sub 3} (0.125 {<=} x {<=} 0.875) thin films were evaluated as a function of film composition. The amorphous La{sub x}Lu{sub 1-x}O{sub 3} thin films have a dielectric constant (K) of 23 across the composition range. The inversion thickness (T{sub inv}) of the La{sub x}Lu{sub 1-x}O{sub 3} thin films was scaled to <1.0 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Molecular Mechanism of the Adsorption Process of an Iodide Anion into Liquid-Vapor Interfaces of Water-Methanol Mixtures

To enhance our understanding of the molecular mechanism of ion adsorption to the interface of mixtures, we systematically carried out a free energy calculations study involving the transport of an iodide anion across the interface of a water-methanol mixture. Many body affects are taken into account to describe the interactions among the species. The surface propensities of I- at interfaces of pure water and methanol are well understood. In contrast, detailed knowledge of the molecular level adsorption process of I- at aqueous mixture interfaces has not been reported. In this paper, we explore how this phenomenon will be affected for mixed solvents with varying compositions of water and methanol. Our potential of mean force study as function of varying compositions indicated that I- adsorption free energies decrease from pure water to pure methanol but not linearly with the concentration of methanol. We analyze the computed density profiles and hydration numbers as a function of concentrations and ion positions with respect to the interface to further explain the observed phenomenon. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle. The calculations were carried out using computer resources provided by BES.

Annapureddy, Harsha V↗