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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Design of Silicide-Strengthened Nb–Si–Cr–(Mo) alloys for additive manufacturing

Three high–intermetallic volume Nb–Si–Cr–(Mo) alloys were designed using CALPHAD modeling with the goal of identifying high–specific strength, oxidation-resistant alloys that can be additively manufactured using powder bed fusion. The silicides Nb 5 Si 3 and Nb 9 Si 2 Cr3 were targeted as the primary strengthening phases, and the addition of Cr promoted the NbCr 2 phase. These alloys were cast and surface-processed with electron beam welding at different speeds to simulate additive manufacturing, and the phases and microstructures of both cast and welded regions were characterized. The weld processing was found to produce fine-grained microstructures in each alloy with fine-scale intermetallics uniformly distributed among a body-centered cubic Nb matrix. Microstructural refinement and hardness were found to increase with weld velocity; one alloy reached its highest hardness of approximately 16 GPa before the brittleness at higher velocities became detrimental. One alloy was found to be qualitatively the least brittle while also attaining a hardness of 13 GPa and was therefore identified as a good candidate for additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Oxidation of the HiSiMo Cast Irons Alloyed with Cr/Al at 800 °C

To improve the oxidation resistance of cast iron containing Si and Mo (HiSiMo), 1wt.% Cr and 3wt.% Al were added into the base alloy to improve high temperature oxidation resistance for exhaust manifold applications. Oxidation tests were performed in both dry and wet air (air + 10% H 2 O) at 800 °C for 1, 10, 24, and 50 h. The mass change and oxide thickness were measured to evaluate the oxidation resistance. Scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDS) and transmission electron microscopy (TEM) were employed to characterize the oxidized samples. Here, the results showed that the additions of Al or Cr selectively oxidized to form a more oxidation resistant surface oxide layer, which reduced the mass gain during these experiments.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Reaction of sulfur dioxide with modified 440C, studied by Auger electron spectroscopy and depth profiling

Auger electron spectroscopy and sputtering were used to study the interaction of SO2 with modified 440C, which is a nominally 77-wt%-Fe, 14-wt%-Cr, and 4-wt%-Mo bearing steel with C, S, Si, Ni, V, P, and Mn making up the balance. The sample was polycrystalline. Three temperatures were used: room temperature, 500 C, and 600 C. The reaction time was varied from 30 minutes to 2 hours. A surface cleaned of oxides was the starting point for each reaction. For reactions at 500 C, the major constituents Cr, O, Fe, and S were present in the surface film. At 600 C, the principal constituents of the film were Cr, O, and S with no Fe present. Therefore, a transition in film composition occurred between 500 and 600 C. Oxides were the primary constituents of the films at both temperatures. Room-temperature reactions indicated that SO2 adsorbed dissociatively, with approximately equal quantities of S and O on the surface. For the same reaction time (1 hr) and pressure, a strong temperature dependence of film thickness was observed. The film formed at 600 C was approximately seven times thicker than that formed at 500 C.

Ferrante, J.↗
NASA NTRS1989

Thin film molybdenum silicide as potential temperature sensors for turbine engines

Temperature measurements of Mo-Si-based thin-film resistance thermometers were studied. Annealing in an argon ambient at a temperature above 1000 C for at least 1 h is required to form the stable tetragonal MoSi2 phase. With a crack-free 2-micron-thick AlN barrier layer on top, a sensor was tested up to 1200 C. The resistivity vs temperature characteristic shows the room temperature resistivity and temperature coefficient of resistivity (TCR) of the sensor to be approximately 350 microohm and 0.01195 K, respectively. No film adhesion problems were observed for at least four testing cycles.

Ho, C. H.↗
DOE OSTI2023

Activity model for 36 elements in Fe-Ni-Si-S-C liquids with application to terrestrial planet accretion and mantle geochemistry: New data for Ru, Re, Pt, Os, Ti, Nb, and Ta

Understanding siderophile element partitioning between metal and silicate melts under diverse conditions can be used to place important constraints on the materials and conditions of planetary accretion and core formation, as well as post core formation processes. However, the effects of Si on the partitioning and activity coefficients for these elements are not well known, despite Si likely being one of the dominant light elements in Earth’s core. To address this gap in understanding, we have undertaken a systematic study of the highly siderophile elements Re, Pt, Os, and Ru, and the refractory lithophile elements Nb, Ta and Ti at 1600 °C and 1 GPa, to derive epsilon interaction parameters for these elements in FeSi metallic liquids. Positive epsilon interaction parameters were measured for Nb, Ta, Ti, Ru, Re, Pt, and Os, indicating that dissolved Si in Fe liquids causes a decrease in their metal/silicate partition coefficients (or ‘silicophobic’ behavior). Furthermore, ε$_{Re, Os, or Ru}^{Si}$ > ε$_{Re, Os, or Ru}^{S}$ which means Si causes a larger decrease in D(metal/silicate) than S, and the chalcophile behavior expected from some elements will be completely masked by the presence of Si in a metallic liquid. The new parameters are used to update an activity model that now includes 36 siderophile elements in Fe-Ni-Si-S-C liquids (27 trace elements considered here). Systematic assessment of these 27 elements shows which have the strongest affinity for Si, C, and S, and also how activity coefficients for these elements would vary during accretion and core formation in Earth, Mars, and Mercury of widely differing fO 2 and core compositional conditions. The activity model is combined with new partitioning expressions for Mo, W, Cr, Re Ru, Pt, and Os and applied to aspects of post core formation mantle geochemistry of Earth, Mars, and Mercury. Our updated expressions show that the BSE Mo/W ratio can easily be achieved with metal/silicate partitioning during growth of the Earth, whereas Re, Os and Ru become lower than and highly fractionated compared with BSE values during core formation and accretion, and thus nearly 99% of their BSE abundances are likely contributed by late accretion. Ru isotopes should be a very good indicator of the source material for the late accretion. The high Pt/Os and Re/Os developed in a deepening magma ocean during the growth of the Earth, indicates 186 Os and 187 Os isotopes could be coupled if this ancient material remained isolated and subsequently became entrained in mantle plumes and measured in surficial lavas. The extent to which this occurred will be limited by the low Os content of this ancient material, thus requiring mixing as a major component in plume sources. Martian mantle Hf/W ratio stays low during accretion and core formation modelling, suggesting that W isotope anomalies are more likely due to solid/liquid silicate fractionation than to core formation. Finally, Ti contents measured by MESSENGER at Mercury’s surface can be explained by segregation of either a metallic core (IW-6 to -8) or metallic core + sulfide (IW-4 to -7.5) followed by mantle melting.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Investigation of Gallium–Boron Spin-On Codoping for poly-Si/SiO x Passivating Contacts

A doping technique for p-type poly-Si/SiOx passivating contacts using a spin-on method for different mixtures of Ga and B glass solutions is presented. Effects of solution mixing ratios on the contact performance (implied open circuit voltage iV oc , contact resistivity ..rho..c) are investigated. For all as-annealed samples at different drive-in temperatures, increasing the percentage of Ga in the solution shows a decrement in iV oc (from ~680 to ~610 mV) and increment in ..rho..c (from ~3 to ~800 mO cm 2 ). After a hydrogenation treatment by depositing a SiN x /AlO x stack followed by forming gas annealing, all samples show improved iVoc (~700 mV with Ga-B co-doped, and ~720 mV with all Ga). Interestingly, when co-doping Ga with B, even a small amount of B in the mixing solution shows negative effects on the surface passivation. Active and total dopant profiles obtained by electrical capacitance voltage and secondary-ion mass spectrometry measurements, respectively, reveal a relatively low percentage of electrically-active Ga and B in the poly-Si and Si layers. Overall, these results help understand the different features of the two dopants: a low ρ c with B, a good passivation with Ga, their degree of activation inside the poly-Si and Si layers, and the annealing effects.

14 SOLAR ENERGY↗
DOE OSTI2023

Boron capture stabilizing the diffusion barriers in a two-step Mo-Si-B coated refractory multi-principal element alloy

A Mo-Si-B based coating has been applied on a refractory multi-principal element alloy (RMPEA) using a two-step coating strategy and has endured more than 750 hours of thermal cycling oxidation exposure between room temperature to 1300°C with a minimal weight change. Here, the formation of the Mo 5 SiB 2 diffusion barrier in the coating prevents the inward diffusion of the coating components. Then, boron is captured by the RMPEA, resulting in the formation of a solid solution X 5 SiB 2 (X= W, Mo, Ta, Nb, V) layer and an RMPEA-B boride layer underneath it that acts as the second diffusion barrier.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Modeling of Substitutional Site Preference in Ordered Intermetallic Alloys

We investigate the site substitution scheme of specific alloying elements in ordered compounds and the dependence of site occupancy on compound stoichiometry, alloy concentration. This basic knowledge, and the interactions with other alloying additions are necessary in order to predict and understand the effect of various alloying schemes on the physical properties of a material, its response to various temperature treatments, and the resulting mechanical properties. Many theoretical methods can provide useful but limited insight in this area, since most techniques suffer from constraints in the type of elements and the crystallographic structures that can be modeled. With this in mind, the Bozzolo-Ferrante-Smith (BFS) method for alloys was designed to overcome these limitations, with the intent of providing an useful tool for the theoretical prediction of fundamental properties and structure of complex systems. After a brief description of the BFS method, its use for the determination of site substitution schemes for individual as well as collective alloying additions to intermetallic systems is described, including results for the concentration dependence of the lattice parameter. Focusing on B2 NiAl, FeAl and CoAl alloys, the energetics of Si, Ti, V, Cr, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Hf, Ta and W alloying additions are surveyed. The effect of single additions as well as the result of two simultaneous additions, discussing the interaction between additions and their influence on site preference schemes is considered. Finally, the BFS analysis is extended to ternary L1(sub 2) (Heusler phase) alloys. A comparison between experimental and theoretical results for the limited number of cases for which experimental data is available is also included.

Bozzolo, Guillermo↗
NASA NTRS2017

Diffusivities of Redox-Sensitive Elements in Basalt vs. Oxygen Fugacity Determined by LA-ICP-MS

Several diffusion experiments were conducted in a piston cylinder device across a range of oxygen fugacities (FMQ-3 FMQ-1.2, FMQ+6) at 1 GPa and 1300 C. This was done to explore the effects of oxygen fugacity (fO2) on diffusivity of redox sensitive trace elements. This allows investigation of how these elements diffuse across the fO2 range encountered in different reservoirs on planets and moons in our solar system. The University of Rochester LA-ICP-MS system was used for analysis of samples. Analyses were conducted using an Agilent 7900 quadrupole mass spectrometer connected to a Photon Machines 193 nm G2 laser ablation (LA) system equipped with a HelEx 2-volume sample chamber. Spots used were 35 micrometers circles spaced at 65 micrometers intervals. Laser fluence was 7.81 J/cm^2 with a rep rate of 10 Hz. The iolite software package was used to reduce data collected from laser ablation analysis of experiments with Si-29 used as the internal standard isotope. Iolite's global fit module was used to simultaneously fit elements' diffusivities in each experiment while keeping the Matano interface constant. Elements analysed include V, Nb, W, Mo, La, Ce, Pr, Sm, Eu, Gd, Ta, and W. Figures

Szumila, Ian↗
NASA NTRS1977

Results of analyses performed on basalt adjacent to penetrators emplaced into volcanic rock at Amboy, California, April 1976

The physical and chemical modifications found in the basalt after impact of four penetrators were studied. Laboratory analyses show that mineralogical and elemental changes are produced in the powdered and crushed basalt immediately surrounding the penetrator. Optical microscopy studies of material next to the skin of the penetrator revealed a layer, 0-2 mm thick, of glass and abraded iron alloy mixed with fractured mineral grains of basalt. Elemental analysis of the 0-2 mm layer revealed increased concentrations of Fe, Cr, Ni, No, and Mn, and reduced concentrations of Mg, Al, Si, and Ca. The Fe, Cr, Ni, and Mo were in fragments abraded from the penetrator. Mineralogical changes occurring in the basalt sediment next to the penetrator include the introduction of micron-size grains of alpha-iron, magnetite, and hematite. The newly formed silicate minerals include metastable phases of silica (tridymite and cristobalite). An increased concentration of Fe, Cr, Ni, and Mo occurred in the 2-mm to 1-cm layer of penetrator no. 1, which impacted at the highest velocity. No elemental concentration increase was noted for penetrators nos. 2 and 3 in the 2-mm to 1-cm layer. Contaminants introduced by the penetrator occur up to 1 cm away from the penetrator's skin. Although volatile elements do migrate and new minerals are formed during the destruction of host minerals in the crushed rock, no changes were observed beyond the 1-cm distance.

Blanchard, M.↗
NASA NTRS1992

The effect of H2O gas on volatilities of planet-forming major elements. I - Experimental determination of thermodynamic properties of Ca-, Al-, and Si-hydroxide gas molecules and its application to the solar nebula

The vapor pressures of Ca(OH)2(g), Al(OH)3(g), and Si(OH)4(g) molecules in equilibrium with solid calcium-, aluminum, and silicon-oxides, respectively, were determined, and were used to derive the heats of formation and entropies of these species, which are expected to be abundant under the currently postulated physical conditions in the primordial solar nebula. These data, in conjunction with thermodynamic data from literature, were used to calculate the relative abundances of M, MO(x), and M(OH)n gas species and relative volatilities of Fe, Mg, Si, Ca, and Al for ranges of temperature, total pressure, and H/O abundance ratio corresponding to the plausible ranges of physical conditions in the solar nebula. The results are used to explain how Ca and Al could have evaporated from Ca,Al-rich inclusions in carbonaceous chondrites, while Si, Mg, and Fe condensed onto them during the preaccretion alteration of CAIs.

Hashimoto, Akihiko↗
NASA NTRS2023

Observation of the Radiation Environment and Solar Energetic Particle Events in Mars Orbit in May 2018- June 2022

Epithermal Neutron Detector (FREND). Here we present results from measurements of the charged particle fluxes, dose rates and estimation of dose equivalent rates at ExoMars TGO Mars science orbit, provided by Liulin-MO from May 2018 to June 2022. The period of measurements covers the declining and minimum phases of the solar activity in 24th solar cycle and the rising phase of the 25th cycle. Compared are the radiation values of the galactic cosmic rays (GCR) obtained during the different phases of the solar activity. The highest values of the dose rate and flux from GCR are registered from March to August 2020. At the minimum of 24th and transition to 25th solar cycle the dose rate from GCR is 15.9 ± 1.6 µGy h−1, particle flux is 3.3 ± 0.17 cm−2 s−1, dose equivalent rate is 72.3 ± 14.4 µSv h−1. Since September 2020 the dose rate and flux of GCR decrease. Particular attention is drawn to the observation of the solar energetic particle (SEP) events in July, September and October 2021, February and March 2022 as well as their effects on the radiation environment on TGO during the corresponding periods. The SEP event during15–19 February 2022 is the most powerful event observed in our data. The SEP dose during this event is 13.8 ± 1.4 mGy (in Si), the SEP dose equivalent is 21.9 ± 4.4 mSv. SEP events recorded in Mars orbit are related to coronal mass ejections (CME) observed by SOHO and STEREO A coronagraphs. Compared are the time profiles of the count rates measured by Liulin-MO, the neutron detectors of FREND and neutron detectors of the High Energy Neutron Detector (HEND) aboard Mars Odyssey during 15–19 February 2022 event. The data obtained is important for the knowledge of the radiation environment around Mars, regarding future manned and robotic flights to the planet. The data for SEP events in Mars orbit during July 2021-March 2022 contribute to the details on the solar activity at a time when Mars is on the opposite side of the Sun from Earth.

Jordanka Semkova↗
NASA NTRS1988

Iron-base superalloys - A phase analysis of the multicomponent system (Fe-Mn-Cr-Mo-Nb-Al-Si-C)

In the course of studies on the iron-rich multicomponent system Fe-Mn-Cr-Mo-Nb-Al-Si-C, work was concentrated on pertinent quinary and six-component combinations namely Fe-Mn-Al-Si-C, Fe-Cr-Al-Si-C and Fe-Mn-Cr-Al-Si-C which had been elaborated at 65, 72, and 80 wt pct Fe. Manganese acts as a strong stabilizer for the cementite carbide. Chromium seems to stabilize the iron aluminide Fe2Al5 which forms in a considerable amount within an alloy of nominal composition Fe(65)Mn(15)Cr(12)Al(5)Si(2)C(1) (percent by weight). Although the Mn3AlC carbide is, like Fe3AlC, a perovskite carbide, manganese does not appear to favor the formation of the perovskite carbide. Because of the relatively low sintering temperature (700 C), for al large portion of the samples equilibria conditions are not always reached.

Gupta, H.↗
NASA NTRS1977

Results of analyses performed on soil adjacent to penetrators emplaced into sediments at McCook, Nebraska, January 1976

During 1976 several penetrators (full and 0.58 scale) were dropped into a test site McCook, Nebraska. The McCook site was selected because it simulated penetration into wind-deposited sediments (silts and sands) on Martian plains. The physical and chemical modifications found in the sediment after the penetrators' impact are described. Laboratory analyses have shown mineralogical and elemental changes are produced in the sediment next to the penetrator. Optical microscopy studies of material next to the skin of the penetrator revealed a layer of glassy material about 75 microns thick. Elemental analysis of a 0-1-mm layer of sediment next to the penetrator revealed increased concentrations for Cr, Fe, Ni, Mo, and reduced concentrations for Mg, Al Si, P, K, and Ca. The Cr, Fe, Ni, and Mo were in fragments abraded from the penetrator. Mineralogical changes occurring in the sediment next to the penetrator included the introduction of micron-size grains of alpha iron and several hydrated iron oxide minerals. The newly formed silicate minerals include metastable phases of silica (cristobalite, lechatelierite, and opal). The glassy material was mostly opal which formed when the host minerals (mica, calcite, and clay) decomposed. In summary, contaminants introduced by the penetrator occur up to 2 mm away from the penetrator's skin. Although volatile elements do migrate and new minerals are formed during the destruction of host minerals in the sediment, no changes were observed beyond the 2-mm distance. The analyses indicate 0.58-scale penetrators do effectively simulate full-scale testing for soil modification effects.

Blanchard, M.↗
DOE OSTI2022

High Throughput Computational Framework of Materials Properties for Extreme Environments

This project aims to establish a framework capable of efficiently predicting the properties of structural materials for service in harsh environments over a wide range of temperatures and over long periods of time. The approach is to develop and integrate high throughput first-principles calculations in combination with machine learning (ML) methods, perform high throughput CALPHAD (calculations of phase diagrams) modeling, and carry out finite element method (FEM) simulations. Relevant to high temperature service in fossil power system, nickel-based superalloys such as Inconel 740 and Haynes 282 as well as the associated (Ni-Cr-Co)-Al-C-Fe-Mn-Mo-Nb-Si-Ti system, were investigated. The present framework was built on the concept of phase-based property data, in which properties of individual phases are modeled as a function of internal and external independent variables. This project established an open-source infrastructure with the following capabilities: (1) High throughput implementation of first-principles calculations at finite temperatures and variable compositions using both accurate phonon calculations and the efficient Debye model for thermodynamic properties, elastic constants, diffusion coefficients, vacancy formation, stacking and twin faults, and dislocation mobility; i.e., using the developed code DFTTK; (2) Machine learning capabilities to predict the above properties so that the number of first-principles calculations can be significantly reduced; e.g., using the developed code SIPFENN; (3) High throughput CALPHAD modeling of the above properties as a function of temperature and composition using our unique capability based on ESPEI and PyCalphad; (4) New capabilities to predict the stress-strain behavior of individual phases; and (5) New models for tensile strength prediction in common FEM software with the crystal plasticity finite element simulations (CPFEM).

, Ni-based superalloys↗
DOE OSTI2025

Clarifying the 𝑁,𝑍 = 14 Shells near the Drip Lines from the Spectroscopy of 22 Si and 21 Al

Evidence for a (sub)-shell closure at 𝑍 = 14 has been observed from the spectroscopy of 22 Si and 21 Al . Using a fast 23 Si beam on a 9 Be target, several proton-decaying resonances have been populated in 21 Al and 22 Si , including the first measurement of the 2$^{+}_{1}$ state in 22 Si with an excitation energy of 2.352(55) MeV. Relative to the known 𝑁 = 14 subshell closure in 22 O , the 22 Si 2$^{+}_{1}$ excitation energy indicates the existence of a weakened 𝑍 = 14 subshell closure. To reproduce the new spectroscopic information and known 22 Al levels, the energy of the 1⁢𝑠 1/2 orbit must be substantially decreased, which imparts Thomas-Ehrman shifts to all excited states observed in the present Letter and explains the structure of nuclei in the 𝑠⁢𝑑 shell for this region of the proton drip line.

20 ≤ A ≤ 38↗
NASA NTRS2005

Development of CIGS2 Thin Films on Ultralightweight Flexible Large Area Foil Sunstrates

The development of thin film solar cells is aimed at reducing the costs for photovoltaic systems. Use of thin film technology and thin foil substrate such as 5-mil thick stainless steel foil or 1-mil thick Ti would result in considerable costs savings. Another important aspect is manufacturing cost. Current single crystal technology for space power can cost more than $ 300 per watt at the array level and weigh more than 1 kg/sq m equivalent to specific power of approx. 65 W/kg. Thin film material such as CuIn1-xGaxS2 (CIGS2), CuIn(1-x)Ga(x)Se(2-y)S(y) (CIGSS) or amorphous hydrogenated silicon (a-Si:H) may be able to reduce both the cost and mass per unit area by an order of magnitude. Manufacturing costs for solar arrays are an important consideration for total spacecraft budget. For a medium sized 5kW satellite for example, the array manufacturing cost alone may exceed $ 2 million. Moving to thin film technology could reduce this expense to less than $ 500K. Earlier publications have demonstrated the potential of achieving higher efficiencies from CIGSS thin film solar cells on 5-mil thick stainless steel foil as well as initial stages of facility augmentation for depositing thin film solar cells on larger (6 in x 4 in) substrates. This paper presents the developmental study of achieving stress free Mo coating; uniform coatings of Mo back contact and metallic precursors. The paper also presents the development of sol gel process, refurbishment of selenization/sulfurization furnace, chemical bath deposition (CBD) for n-type CdS and scrubber for detoxification of H2S and H2Se gases.

Dhere, Neelkanth G.↗