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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Hierarchy among the crystal lattice, charge density wave, and superconducting orders in transition metal dichalcogenides

Using high-energy x-ray scattering and large-scale three-dimensional (3D) structure modeling, in this study we investigate the relationship between the crystal lattice, charge density wave (CDW), and superconducting (SC) orders in transition metal dichalcogenides (TMDs). In particular, we systematically substitute Te for Se in Ta-Se-Te solid solutions, determine changes in their crystal lattice, and relate them to changes in the CDW transition temperature, $T_{CDW}$, and SC critical temperature, $T_c$ . We find that strong lattice distortions such as buckling of Ta layers are detrimental to the CDW and SC orders. The presence of a perfect lattice order in two dimensions is a prerequisite to the emergence of CDWs but insufficient to achieve a SC ordered state. For the SC order to emerge, the Ta sublattice should also appear periodic in 3D. Local chemical disorder may promote the SC order, and the perfectness of Ta coordination polyhedra is a factor contributing to its strength. A hierarchical relationship among the crystal lattice, CDW, and SC orders thus appears to exist in TMDs in a sense that different degrees of crystal lattice order-disorder promote and maintain the CDW and SC orders to a different extent, offering an opportunity to control the latter through modifying the former by rational design. Our findings are a step towards a better understanding of the correlation between lattice and electronic degrees of freedom in TMDs. We also demonstrate an efficient experimental approach to study them in fine detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Ramp compression of tantalum to multiterapascal pressures: Constraints of the thermal equation of state to 2.3 TPa and 5000 K

We report measurements of the compressibility of ramp compressed tantalum to a final stress of 2.3 TPa corresponding to threefold volumetric compression. Using these data, we extended the experimental constraint on the Ta cold compression curve by an order of magnitude in pressure. Furthermore, by combining the resulting data with previous measurements of shock compression and ambient pressure heating, we construct an experimentally bounded and thermodynamically consistent equation of state model for Ta which has 2% uncertainty in pressure at 1 TPa. We therefore propose Ta as an in situ pressure scale for laser-heated static compression experiments which were recently able to reach terapascal pressures and thousands of degrees Kelvin. Our new equation of state of Ta is experimentally constrained at extreme pressures and temperatures relevant to a wide range of planetary interiors and will allow for more accurate comparison between experimental measurements and theory at extreme conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

HfTa_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-tantalum (Hf-Ta). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ta. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice sites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,040 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Two-stage formation-energy correction (NbZr, TaZr, VZr)

This bundle contains the scripts, the raw and corrected per-structure data, and the manuscript plots for the NbZr / TaZr / VZr BCC binary formation energies and the associated RMSDs. Why a two-stage correction is necessary: The "raw" formation energy of every relaxed VASP configuration is computed in the usual way, FE_raw(c) = E_alloy(c) - sum_i x_i * E_pure_i , where E_pure_i are the per-atom total energies of the pure-element reference structures (Nb, Ta, V, Zr in the same BCC supercell, with identical INCAR / KPOINTS / PAW choices). With perfectly consistent reference runs the raw FE should vanish at the two pure-element endpoints (x = 0 and x = 1) by construction. In practice this does not hold for two reasons that are present in our dataset: 1. Reference-energy inconsistency (composition-dependent bias). Even with identical input parameters, the pure-element runs (stored in `corrected_DFT_pure_element_runs/`) differ slightly from the values that would be implied by the alloy runs at near-pure compositions (a few meV/atom). This bias is approximately linear in concentration, because the residual error in E_pure_Nb (or E_pure_Ta / E_pure_V) propagates into FE_raw(c) as (1 - x) * dE_pure_1, and the corresponding error in E_pure_Zr propagates as x * dE_pure_2. Left uncorrected, this produces a non-physical "tilt" of FE_raw(x) and shifts the entire FE-vs-x cloud away from zero at the endpoints. 2. Endpoint anchoring against the audited true endpoints. The strict endpoint values (FE_x0_meVatom, FE_x1_meVatom in `corrected_fe_strict_endpoints_20260518/strict_endpoint_check_20260518.csv`) were re-derived from an independent cross-check of the pure-element runs. After stage 1 removes the linear bias, the near-pure compositions in the alloy dataset still extrapolate to values that differ slightly from these audited endpoints — because stage 1 is fit from a few near-end alloy bins, not from the audited pure-element references themselves. The README.txt file discusses how these issues are addressed by the two-stage correction, and describes folder layout, pipeline summary, and how to re-run.

36 MATERIALS SCIENCE↗
DOE OSTI2020

2019 Results for Avian Monitoring of Inorganic and Organic Element Concentrations in Passerine Eggs and a Nestling Collected from Technical Area 16 Burn Grounds, Technical Area 36 Minie, and Technical Area 39 Point 6 at Los Alamos National Laboratory

In 2019, non-viable avian eggs and one nestling were opportunistically collected at Los Alamos National Laboratory (LANL) near open detonation sites located at Technical Area (TA) 16 burn grounds, TA-36 Minie, and TA-39 Point 6. These samples were evaluated for inorganic elements (mostly metals), polychlorinated biphenyls (PCBs), dioxins, and furans. A total of 26 western bluebird (Sialia mexicana) and five mountain bluebird (Sialia currucoides) egg samples and one non-viable ash-throated flycatcher (Myiarchus cinerascens) nestling were collected among the three locations of interest. Concentrations of inorganic elements observed in this study were compared with the regional statistical reference level (RSRL) which is the upper-level bounds of background concentrations (mean + three standard deviations = 99% confidence interval). Several inorganic elements were not detected in avian eggs and the majority of inorganic elements detected were below the RSRL. The few elements that exceeded the RSRL were below the lowest observable adverse effect level (LOAEL), when available. One nestling collected from TA-16 contained detectable concentrations of some dioxin and furan congeners. Octachlorodibenzodioxin-1,2,3,4,6,7,8,9 concentration exceeded the RSRL, but did not exceed the calculated tetrachlorodibenzodioxin-2,3,7,8 (TCDD) toxic equivalent LOAEL. PCBs were also detected in the nestling sample and were above the RSRL but below the LOAEL. These data suggest that inorganic and organic element concentrations in eggs and nestlings are not of ecological concern. More data are needed to make a robust assessment and to evaluate trends over time.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

2020 Results for Avian Monitoring of Inorganic and Organic Element Concentrations in Passerine Eggs and Nestlings Collected from Technical Area 16 Burn Grounds, Technical Area 36 Minie, and Technical Area 39 Point 6 at Los Alamos National Laboratory

In 2020, non-viable avian eggs and two nestling were opportunistically collected at Los Alamos National Laboratory (LANL) near open detonation sites located at Technical Area (TA) 16 burn grounds, TA-36 Minie, and TA-39 Point 6. These samples were evaluated for inorganic elements (mostly metals), dioxins, and furans. A total of six eggs and two deceased western bluebird (Sialia mexicana) nestling samples were collected among the three locations of interest. Concentrations of inorganic elements observed in this study were compared with the regional statistical reference level (RSRL) which is the upper-level bounds of background concentrations (mean + three standard deviations = 99% confidence interval). Several inorganic elements were not detected in avian eggs and all inorganic elements detected were below the RSRL and the lowest observable adverse effect level (LOAEL), when available. One nestling collected from TA-39 contained detectable concentrations of two dioxin congeners. Heptachlorodibenzodioxin-1,2,3,4,6,7,8 and octachlorodibenzodioxin-1,2,3,4,6,7,8,9 concentration exceeded the RSRL, but did not exceed the calculated tetrachlorodibenzodioxin 2,3,7,8 (TCDD) toxic equivalent LOAEL. These data suggest that inorganic and organic element concentrations in eggs and nestlings are not of ecological concern. More data are needed to make a robust assessment and to evaluate trends over time.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

National Community Solar Partnership Technical Assistance: Together New Orleans [Slides]

This product is the outcome of a National Community Solar Partnership (NCSP) Technical Assistance (TA) request. TA is provided to NCSP members at no cost and upon request. Some TA, this project included, is later generalized and published to help educate the broader community, share findings, and provide best practices. Together New Orleans submitted a TA request to the NCSP aiming to obtain a third-party analysis on several rate compensation structures that could make project development more financially advantageous.

14 SOLAR ENERGY↗
DOE OSTI2022

Crack-Free 30% Chromium-Nickel Alloy Welding Products for Nuclear Service

We report prior research in the development of 30% chromium-nickel alloy nuclear welding wires has resulted in the resolution of primary water stress corrosion cracking (PWSCC) and ductility dip cracking (DDC) as well as improvement in solidification cracking (SC) resistance. The resolution of DDC exhibits some Laves phase, which has a negative effect on SC resistance. In this study, the use of an alternate carbide former, tantalum (Ta), in combination with niobium (Nb) was researched. Three heats of recently designed Filler Metal 52MSS-Ta (i.e., HV1648, HV1673A, and VX131WXW) were melted, fabricated, and systematically studied. DDC and SC were evaluated with thermodynamic modeling using the Scheil solidification simulation model, two types of varestraint tests, and strain-to-fracture (STF) testing. The varestraint and STF test results showed an improved SC resistance with reduced Laves phase and concurrent excellent DDC resistance. Optimized compositions with low Laves phase also exhibited high threshold strain values (TSVs) in the STF test. VX131WXW — which contains 2.81 wt-% Ta, 0.6 wt-% Nb, and 6 wt-% iron (Fe) - exhibited a TSV of 24%. Thermo-Calc computed the Laves phase to be 0.24% for VX131WXW compared to 0.06% in HV1673A. This difference in Laves phase resulted in the lower SC resistance of VX131WXW compared to HV1673A when measured with longitudinal varestraint testing. The maximum crack distance for HV1673A was about 0.6 mm while that of heat VX131WXW was about 1.0 mm. The typical diluted weld deposit made with VX131WXW was also resistant to PWSCC due to the chromium content exceeding 24%. These simultaneous results mark progress toward crack-free welds and provide direction for further optimization of Ta-containing filler metals.

30% chromium-nickel alloy↗
NASA NTRS1971

Technology assessment: What should it be?

A report on technology assessment (TA) is presented. Topics discussed include: the nature of TA, TA used as an analytical method for natural and social sciences, and the uncertain consequences of TA.

Black, G.↗
NASA NTRS1976

Development and study of chemical vapor deposited tantalum base alloys

A technique for the chemical vapor deposition of alloys was developed. The process, termed pulsing, involves the periodic injection of reactant gases into a previously-evacuated reaction chamber where they blanket the substrate almost instantaneously. Formation of alternating layers of the alloy components and subsequent homogenization allows the formation of an alloy of uniform composition with the composition being determined by the duration and relative numbers of the various cycles. The technique has been utilized to produce dense alloys of uniform thickness and composition (Ta- 10 wt % W) by depositing alternating layers of Ta and W by the hydrogen reduction of TaCl5 and WCl6. A similar attempt to deposit a Ta - 8 wt % W - 2 wt% Hf alloy was unsuccessful because of the difficulty in reducing HfCl4 at temperatures below those at which gas phase nucleation of Ta and W occurred.

Meier, G. H.↗
NASA NTRS1984

Influence of cobalt, tantaum and tungsten on the high temperature mechanical properties of single crystal nickel-base superalloys

For alloys with the baseline refractory metal level of 3 percent Ta and 10 percent W, decreases in Co level from 10 to 0 percent resulted in increased tensile strength and creep resistance. Substitution of W for Ta resulted in decreased creep life at high stresses but improved life at low stresses. Substitution of Ni for Ta caused large reductions in tensile strength and creep resistance, and corresponding increases in ductility. For these alloys with low Ta plus W totals, strength was independent of Co level. The increases in tensile strength with increases in refractory metal content were related to the increases in gamma volume fraction and solid solution hardening. Increases in strength as Co level decreased were considered to be the result of coherency strain hardening from the increased lattice mismatch. Dislocation shear through the gamma-gamma interface is considered to be the rate limiting step in the deformation process.

Nathal, M. V.↗
NASA NTRS1985

The influence of cobalt, tantalum, and tungsten on the elevated temperature mechanical properties of single crystal nickel-base superalloys

The influence of composition on the tensile and creep strength of 001-line oriented nickel-base superalloy single crystals at temperatures near 1000 C was investigated. Cobalt, tantalum, and tungsten concentrations were varied according to a matrix of compositions based on the single crystal version of MAR-M247. For alloys with the baseline refractory metal level of 3 wt pct Ta and 10 wt pct W, decreases in Co level from 10 to 0 wt pct resulted in increased tensile and creep strength. Substitution of 2 wt pct W for 3 wt pct Ta resulted in decreased creep life at high stresses, but improved life at low stresses. Substitution of Ni for Ta caused large reductions in tensile strength and creep resistance, and corresponding increases in ductility. For these alloys with low Ta-plus-W totals, strength was independent of Co level. The effects of composition on properties were related to the microstructural features of the alloys. In general, high creep strength was associated with high levels of gamma-prime volume fraction, gamma-gamma-prime lattice mismatch, and solid solution hardening.

Nathal, M. V.↗
NASA NTRS1987

Size and metabolic properties of fibers in rat fast-twitch muscles after hindlimb suspension

The effect of hind-limb suspension (HS) on single fibers of the medial gastrocnemius (MG) and the tibialis anterior (TA) muscles were studied in rats. Fiber area and the activities of succinate dehydrogenase (SDH) and alpha-glycerophosphate dehydrogenase (GPD) were determined in tissue sections using an image analysis system. After 28 days of HS, the MG atrophied 28 percent, whereas the TA weight was maintained. Both dark- and light-ATPase fibers in the deep region of the MG had decreased cross-sectional areas following HS, with the atrophic response being twice as great in the light-ATPase fibers than in the dark-ATPase fibers. Following HS, mean SDH activities of both fiber types were significantly lower in the MG and TA than in the CON; by contrast, mean GPD activities were either maintained at the CON level or were higher in both MG and TA muscles. The data suggest an independence of the mechanisms determining the muscle fiber size and the metabolic adaptations associated with HS.

Roy, Roland R.↗
NASA NTRS1990

Micromechanical thermal analysis of interphase region in a titanium aluminide MMC

The high reactivity between the fiber and matrix in silicon carbide/titanium aluminide MMCs leads to the formation of brittle reaction products at the fiber/matrix (F/M) interface. Also, the high thermal expansion coefficient mismatch between the fiber and matrix leads to high tensile residual stresses at the F/M interface, and this can lead to premature cracking during cooldown. One solution to these problems is the use of a metallic fiber coating like Ta which acts as an F/M diffusion barrier and reacts with the matrix to form a beta stabilized compliant layer. A finite element micromechanics analysis was performed to study the effects of Ta and beta interphase layers on the thermal residual stresses during consolidation. A 5-micron-thick beta layer reduced cool-down stresses by 8 percent compared to a 2 percent reduction computed for a Ta layer of the same thickness. Plastic yielding in the Ta was not effective in reducing cool-down stresses. Compliant alpha-2 particles next to the stiffer gamma particles reduced stresses in the gamma particles by less than 2 percent. A simple closed form analysis was developed to calculate thermal residual stresses in a fiber/interphase/matrix system. A 2-micron-thick Ag interphase layer was found to reduce residual stresses by about 11 percent.

Naik, R. A.↗
NASA NTRS1994

Processing and Mechanical Properties of NiAl-Based In-Situ Composites

In-situ composites based on the NiAl-Cr eutectic system were successfully produced by containerless processing and evaluated. The NiAl-Cr alloys had a fibrous microstructure while the NiAl-(Cr,Mo) alloys containing 1 at. percent or more molybdenum exhibited a lamellar structure. The NiAl-28Cr-6Mo eutectic displays promising high temperature strength while still maintaining a reasonable room temperature fracture toughness when compared to other NiAl-based materials. The Laves phase NiAlTa was used to strengthen NiAl and very promising creep strengths were found for the directionally solidified NiAl-NiAlTa eutectic. The eutectic composition was found to be near NiAl-15.5Ta (at. percent) and well aligned microstructures were produced at this composition. An off-eutectic composition of NiAl-14.5Ta was also processed, consisting of NiAl dendrites surrounded by aligned eutectic regions. The room temperature toughness of these two phase alloys was similar to that of polycrystalline NiAl even with the presence of the brittle Laves phase NiAlTa. Polyphase in-situ composites were generated by directional solidification of ternary eutectics. The systems investigated were the Ni-Al-Ta-X (X=Cr, Mo, or V) alloys. Ternary eutectics were found in each of these systems and both the eutectic composition and temperature were determined. Of these ternary eutectics, the one in the NiAl-Ta-Cr system was found to be the most promising. The fracture toughness of the NiAl-(Cr,Al)NiTa-Cr eutectic was intermediate between those of the NiAl-NiAlTa eutectic and the NiAl-Cr eutectic. The creep strength of this ternary eutectic was similar to or greater than that of the NiAl-Cr eutectic.

Johnson, David Ray↗
NASA NTRS1994

Trade study plan for Graphite Composite Primary Structure (GCPS)

This TA 2 document (with support from TA 1) describes the trade study plan that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 degree inclination For this most suitable configuration the structural attachment of the wing, and the most suitable GCPS composite materials for intertank, wing, tail and thrust structure are identified. This trade study analysis uses extensive information derived in the TA 1 trade study plan and is identified within the study plan. In view of this, for convenience, the TA 1 study plan is included as an appendix to this document.

Greenberg, H. S.↗
NASA NTRS1994

Trade study plan for Reusable Hydrogen Composite Tank System (RHCTS)

This TA 1 document describes the trade study plan (with support from TA 2) that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 degree inclination. The analysis uses information derived in the TA 2 study as identified within the study plan. In view of this, for convenience, the TA 2 study plan is included as an appendix to this document.

Greenberg, H. S.↗
NASA NTRS1994

Adaptation of skeletal muscle to spaceflight: Cosmos rhesus project. Cosmos 2044 and 2229

The proposed experiments were designed to determine the effects of the absence of weight support on hindlimb muscles of the monkey: an ankle flexor (tibialis anterior, TA), two ankle extensors (medial gastrocnemius, MG and soleus, SOL), and a knee extensor (vastus lateralis, VL). These effects were assessed by examining the biochemical and morphological properties of muscle fibers obtained from biopsies in young Rhesus monkeys (3-4 Kg). Biopsies taken from ground base experiments were analyzed to determine: (1) the effects of chair restraint at 1 G on muscle properties and (2) the growth rate of flexor and extensor muscles in the Rhesus. In addition, two sets of biopsies were taken from monkeys which were in the flight pool and the four monkeys that flew on the Cosmos 2044 and 2229 biosatellite missions. Based on data collected in rats it is generally assumed that extensors atrophy to a greater extent than flexors in response to spaceflight or hindlimb suspension. Consequently, the finding that fibers in the TA (a fast flexor) of the flight monkeys atrophied, whereas fibers in the Sol (a predominantly slow extensor) and MG (a fast extensor) grew after a 14-day spaceflight (Cosmos 2044) and 12-day spaceflight (Cosmos 2229) was unexpected. In Cosmos 2044, the TA in both flight monkeys had a 21 percent decrease in fiber size, whereas the Sol and MG both had a 79 percent increase in fiber size. In Cosmos 2229, the TA in both flight monkeys showed significant atrophy, whereas the Sol and MG showed slight growth in one monkey (906) and slight atrophy in the other monkey (151).

Bodine-Fowler, Sue↗