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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Strong interfaces: the key to high strength in nano metallic laminates

Excellent mechanical properties of nanomaterials are usually attributed to their nanoscale feature size and high-density interfaces. This work explores the effects of intrinsic interface properties on mechanical properties of nano metallic laminates (NMLs). We show that the interface strength significantly affects the mechanical properties of NMLs. Via in situ mechanical testing and characterization, we investigate the deformation behavior and concurrent microstructure evolution in NMLs with four types of dissimilar interfaces. Our results show that the strength and deformation behaviors of NMLs are largely determined by interface strength. Strong interfaces can simultaneously increase the strength, work hardening capability, and deformability of NMLs. In conclusion, this work brings new insight into the design of advanced metallic materials through tuning of interface properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Facet-dependent strong metal-support interactions control the C–O bond activation

Reducible metal oxides are selective and effective for C–O bond scission of hydrodeoxygenation reactions via the reverse Mars-van Krevelen mechanism. Creating efficient redox centers while minimizing metal surfaces leads to highly selective catalysts. Single noble metal atoms activate the surface M–O bond, but the catalyst activity is limited due to low loading. Here, we report that the strong metal-support interaction between Ir and CeO 2 is facet sensitive, and certain facets regulate the C–O bond cleavage. At 300°C reduction, Ir is mostly encapsulated on an octahedron by (111) facets but remains exposed by (110) facets. The former is selective, whereas the latter is not. In conclusion, density functional theory indicates that Ir encapsulation is favored on (111) under reaction conditions, and oxygen vacancies more readily form on encapsulated Ir than on pristine ceria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

An efficient high-order numerical solver for diffusion equations with strong anisotropy

In this paper, we present an interior penalty discontinuous Galerkin finite element scheme for solving diffusion problems with strong anisotropy arising in magnetized plasmas for fusion applications. Additionally, we demonstrate the accuracy produced by the high-order scheme and develop an efficient preconditioning technique to solve the corresponding linear system, which is robust to the mesh size and anisotropy of the problem. Several numerical tests are provided to validate the accuracy and efficiency of the proposed algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Validation of strongly coupled geomechanics and gas hydrate reservoir simulation with multiscale laboratory tests

In this work, we validate a coupled flow-geomechanics simulator for gas hydrate deposits, named T+M AM , performing two meter-scale laboratory experiments of gas hydrates for production by depressurization, replicating the gas hydrate deposit in the Ulleung Basin, East Sea, South Korea. The first experiment with a sand-only specimen is a 1D 1 m-scale depressurization test based on the excess gas method, which represents the grain coating hydrate growth. On the other hand, the second is a 3D 1.5 m-scale test with the excess water method for a sand-mud alternating layer system, representing the pore filling hydrate growth. We measure production and displacement at the top with different depressurization levels. In particular, the 3D test exhibits high coupling strength of substantial deformation induced by incompressibility of water and high deformability of the specimen. For validation, we match pressure, flow rate, and displacement between the experimental data and numerical results. Thus, we identify that T+M AM is a reliable simulator, which can be applied to fields in both permafrost and deep oceanic hydrate deposits of strongly coupled flow and geomechanics systems. This validation also implies that other coupled simulators based on the same coupling formulation as T+M AM can be validated when individual flow and geomechanics simulators are stable and reliable.

02 PETROLEUM↗
DOE OSTI2020

The strong influence of Ti, Zr, Hf solutes and their oxidation on microstructure and performance of Nb 3 Sn superconductors

The strong influence of Ti, Zr, Hf solutes and their oxidation on microstructure and performance of Nb 3 Sn superconductors Over the last few years a new type of Nb 3 Sn superconducting composite based on the internal oxidation approach has emerged and has demonstrated performance significantly superior to conventional Nb 3 Sn. It requires a supply of O and the use of a Nb alloy – Nb-X, where X is a solute element that can be selectively oxidized to form oxide particles within the Nb 3 Sn. Such oxide particles not only refine Nb 3 Sn grain size, but also have the proper size to act as artificial pinning centers (APC) directly restraining fluxon motion, and thus dramatically improve superconducting properties. In this article we show that the size and volume fraction of the oxide particles determine both the levels of grain refinement and the shift in the peak field of the flux pinning force (F p -B) curve. Additionally, we explore the factors influencing these microstructure and properties, which we find include: selection of the solute element X, solute content, O content, and heat treatment. For the selection of X, we searched the periodic table for all promising candidates but focused down on the group-IVB elements (Ti, Zr, Hf) here as the drawability of Nb 3 Sn wires made from Nb-Ti, Nb-Zr, and Nb-Hf alloys has been demonstrated in the past few decades. We found that while internally oxidizing Nb-1.5at.%Ti led to negligible grain refinement and F p -B peak shift, Nb-Zr alloys led to much more dramatic results, and internally oxidizing Nb-Hf alloys led to the strongest grain refinement and F p -B peak shift. For Hf alloying in particular, we compared our internal oxidation method with another method for grain refinement, which uses Hf alloying itself without oxidation, and found that internal oxidation led to much stronger grain refinement and F p -B peak shift. We also found that higher solute content and lower reaction temperature led to stronger grain refinement and F p -B peak shift. We conclude with a discussion of the possible mechanisms for the influence of these factors.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Molecular structures of dissolved and colloidal As V –Fe III complexes and their roles in the mobilization of As V under strongly acidic conditions

The effect of high concentration of iron (Fe III ) on the speciation and mobility of arsenic (As) under strongly acidic conditions remains unclear. This work studied the redistribution and speciation of As V and Fe III at Fe/As molar ratio of 1–14 and pH 1.5–2.0 in the dissolved, colloidal, and solid phases. Results showed that the elevated Fe III induced the decomposition of the precipitated poorly crystalline ferric arsenate by forming dissolved (< 3 kDa) and colloidal (3 kDa–0.1 µm) As–Fe complexes. The fraction of particulate As (> 0.1 µm) decreased from 70–90% to less than 20% when the Fe/As molar ratio increased from 1 to 14. The particle size of the bulk samples decreased significantly with the increase of Fe III concentration. The FTIR results suggested that AsV in dissolved/colloidal As–Fe complexes dominantly occurred as HAsO 4 2– species. The EXAFS results indicated that each HAsO 4 2– coordinated with approximately two Fe atoms in dissolved/colloidal As–Fe complexes at Fe/As ≥ 2. Furthermore, the findings suggest that high aqueous Fe III concentration can promote the mobility of As by forming dissolved/colloidal Fe–As complexes in acidic waters, potentially accelerating As transport from source to downstream in acid mine drainage systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear

The FimH protein of Escherichia coli is a model two-domain adhesin that is able to mediate an allosteric catch bond mechanism of bacterial cell attachment, where the mannose-binding lectin domain switches from an ‘inactive’ conformation with fast binding to mannose to an ‘active’ conformation with slow detachment from mannose. Because mechanical tensile force favors separation of the domains and, thus, FimH activation, it has been thought that the catch bonds can only be manifested in a fluidic shear-dependent mode of adhesion. Here, we used recombinant FimH variants with a weakened inter-domain interaction and show that a fast and sustained allosteric activation of FimH can also occur under static, non-shear conditions. Moreover, it appears that lectin domain conformational activation happens intrinsically at a constant rate, independently from its ability to interact with the pilin domain or mannose. However, the latter two factors control the rate of FimH deactivation. Thus, the allosteric catch bond mechanism can be a much broader phenomenon involved in both fast and strong cell-pathogen attachments under a broad range of hydrodynamic conditions. In conclusion, this concept that allostery can enable more effective receptor-ligand interactions is fundamentally different from the conventional wisdom that allostery provides a mechanism to turn binding off under specific conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

This paper presents a new robust large-strain (LS) elasto-viscoplastic (EVP) formulation based on Fast Fourier Transforms (FFTs) for the prediction of the micro-mechanical response and microstructure evolution of polycrystalline and multiphase materials, with emphasis on the effect of strong crystallographic and/or morphologic anisotropy on localization of plastic deformation. In this work, the novel LS-EVPFFT formulation allows treatment of complex initial geometries and large deformations considering three grids of material points: a regular grid in the reference configuration, where FFTs can be performed; an irregular grid in the initial configuration, created by applying a stress-free displacement field to the reference regular grid; and an irregular grid in the current configuration, undergoing large strains and rotations as the material is loaded. Further numerical stability of the new formulation also required the use of a novel expression for the discrete modified Green’s operator, which reduces spurious field oscillations. After presenting and validating the new formulation by comparison with preexisting implementations and analytical solutions, LS-EVPFFT is applied to the prediction of slip and kink bands formation in polycrystalline columnar ice, and kink bands in single crystal zinc wires, showing good agreement with classic experiments. Finally, the model is used to study kink band formation during compression of Cu–Nb nano-metallic laminates (NMLs), in which accurate treatment of the complex geometry associated with the tortuosity of interfaces and large deformations become critical, showing consistency with corresponding micropillar experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superconducting nanowires as high-rate photon detectors in strong magnetic fields

Superconducting nanowire single photon detectors are capable of single-photon detection across a large spectral range, with near unity detection efficiency, picosecond timing jitter, and sub-10 µm position resolution at rates as high as 10 9 counts/s. In an effort to bring this technology into nuclear physics experiments, we fabricate Niobium Nitride nanowire detectors using novel material preparation methods and test their performance in strong magnetic fields. Furthermore, we demonstrate that these devices are capable of detection of 400 nm wavelength photons with saturated internal quantum efficiency at liquid helium temperatures and in magnetic fields potentially up to 8 T at high rates and with nearly zero dark counts.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Measurement of prompt ${\mathrm{D^0}}$ and ${\mathrm{\overline{D}}{}^0}$ meson azimuthal anisotropy and search for strong electric fields in PbPb collisions at $\sqrt{s_\mathrm{NN}} =$ 5.02 TeV

The strong Coulomb field created in ultrarelativistic heavy ion collisions is expected to produce a rapidity-dependent difference ( Δv 2 ) in the second Fourier coefficient of the azimuthal distribution (elliptic flow, v 2 ) between D 0 ( $\bar{u}c$ ) and ${\mathrm{\overline{D}}{}^0}$ ( $u\bar{c}$ ) mesons. Motivated by the search for evidence of this field, the CMS detector at the LHC is used to perform the first measurement of Δv 2 . The rapidity-averaged value is found to be &lang;Δv2&rang;=0.001±0.001(stat)±0.003(syst) in PbPb collisions at $\sqrt{s_{NN}}$=5.02 TeV . In addition, the influence of the collision geometry is explored by measuring the D 0 and ${\mathrm{\overline{D}}{}^0}$ mesons v 2 and triangular flow coefficient ( v 3 ) as functions of rapidity, transverse momentum ( p T ), and event centrality (a measure of the overlap of the two Pb nuclei). A clear centrality dependence of prompt D 0 meson v 2 values is observed, while the v 3 is largely independent of centrality. These trends are consistent with expectations of flow driven by the initial-state geometry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Kaon–proton strong interaction at low relative momentum via femtoscopy in Pb–Pb collisions at the LHC

In quantum scattering processes between two particles, aspects characterizing the strong and Coulomb forces can be observed in kinematic distributions of the particle pairs. The sensitivity to the interaction potential reaches a maximum at low relative momentum and vanishing distance between the two particles. Ultrarelativistic heavy-ion collisions at the LHC provide an abundant source of many hadron species and can be employed as a measurement method of scattering parameters that is complementary to scattering experiments. This study confirms that momentum correlations of particles produced in Pb–Pb collisions at the LHC provide an accurate measurement of kaon–proton scattering parameters at low relative momentum, allowing precise access to the K – p $\rightarrow$ K – p process. This work also validates the femtoscopic measurement in ultrarelativistic heavy-ion collisions as an alternative to scattering experiments and a complementary tool to the study of exotic atoms with comparable precision. In this work, the first femtoscopic measurement of momentum correlations of K – p (K + $\bar{p}$) and K + p (K – $\bar{p}$) pairs in Pb–Pb collisions at centre-of-mass energy per nucleon pair of $\sqrt{s_{NN}}$ =5.02 TeV registered by the ALICE experiment is reported. The components of the K – p complex scattering length are extracted and found to be $\mathfrak{R}$f 0 = -0.91±0.03(stat)$^{+0.17}_{-0.03}$(syst) and $\mathfrak{T}$f 0 =0.92±0.05(stat)$^{+0.12}_{-0.33}$(syst). The results are compared with chiral effective field theory predictions as well as with existing data from dedicated scattering and exotic kaonic atom experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

First observation of a shape isomer and a low-lying strongly-coupled prolate band in neutron-deficient semi-magic 187 Pb

Prompt and delayed gamma-ray spectroscopy of the neutron-deficient, semi-magic isotope 187Pb has been performed using the recoil-decay and isomer-decay tagging techniques at the Argonne Gas-Filled Analyzer. A new 5.15(15)-mu s isomeric state at only 308 keV above the spherical 3/2 - ground state is identified and classified as a shape isomer. A strongly-coupled band is observed on top of the isomer, which is nearly identical to the one built on the prolate 7/2 - [514] Nilsson state in the isotone 185 Hg. Based on this similarity and on the result of the potential-energy surface calculations, the new isomer in 187 Pb is proposed to originate from the same configuration. The retarded character of the 308-keV (7/2( - )→ 3/2$_{gs}^{-}$ transition with a deduced B(E2) = 5.6(2) x 10 -4 W.u. can be well explained by the significant difference between the prolate parent and spherical daughter configurations, leading to the shape isomerism. The excitation energy of the isomer is surprisingly low, being roughly half of the excitation energies of the known 0 + intruder bandheads in the neighboring 186,188 Pb isotopes. The combined results of the present work and the previous alpha-decay and laser spectroscopy studies present evidence for triple shape coexistence at low energy in the negative-parity configurations of 187 Pb, which is well reproduced by the potential-energy surface calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Lacustrine leaf wax hydrogen isotopes indicate strong regional climate feedbacks in Beringia since the last ice age

The Late-Quaternary climate of Beringia remains unresolved despite the region's role in modulating glacial-interglacial climate and as the likely conduit for human dispersal into the Americas. In this work, we investigate Beringian temperature change using an ~32,000-year lacustrine record of leaf wax hydrogen isotope ratios (δ2Hwax) from Arctic Alaska. Based on Monte Carlo iterations accounting for multiple sources of uncertainty, the reconstructed summertime temperatures were ~3 °C colder (range: –8 to +3 °C) during the Last Glacial Maximum (LGM; 21-25 ka) than the pre-industrial era (PI; 2–0.1 ka). This ice-age summer cooling is substantially smaller than in other parts of the Arctic, reflecting altered atmospheric circulation and increased continentality which weakened glacial cooling in the region. Deglacial warming was punctuated by abrupt events that are largely synchronous with events seen in Greenland ice cores that originate in the North Atlantic but which are also controlled locally, such as by the opening of the Bering Strait between 13.4 and 11 ka. Our reconstruction, together with climate modeling experiments, indicates that Beringia responds more strongly to North Atlantic freshwater forcing under modern-day, open-Bering Strait conditions than under glacial conditions. Furthermore, a 2 °C increase (Monte Carlo range: –1 to +5 °C) over the anthropogenic era reverses a 6 °C decline (Monte Carlo range: –10 to 0 °C) through the Holocene, indicating that recent warming in Arctic Alaska has not surpassed peak Holocene summer warmth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Plant organic matter inputs exert a strong control on soil organic matter decomposition in a thawing permafrost peatland

Peatlands are climate critical carbon (C) reservoirs that could become a C source under continued warming. A strong relationship between plant tissue chemistry and the soil organic matter (SOM) that fuels C gas emissions is inferred, but rarely examined at the molecular level. Here we compared Fourier transform infrared (FT-IR) spectroscopy measurements of solid phase functionalities in plants and SOM to ultra-high-resolution mass spectrometric analyses of plant and SOM water extracts across a palsa-bog-fen thaw and moisture gradient in an Arctic peatland. From these analyses we calculated the C oxidation state (NOSC), a measure which can be used to assess organic matter quality. Palsa plant extracts had the highest NOSC, indicating high quality, whereas extracts of Sphagnum, which dominated the bog, had the lowest NOSC. The percentage of plant compounds that are less bioavailable and accumulate in the peat, increases from palsa (25%) to fen (41%) to bog (47%), reflecting the pattern of percent Sphagnum cover. The pattern of NOSC in the plant extracts was consistent with the high number of consumed compounds in the palsa and low number of consumed compounds in the bog. However, in the FT-IR analysis of the solid phase bog peat, carbohydrate content was high implying high quality SOM. Here, we explain this discrepancy as the result of low solubilization of bog SOM facilitated by the low pH in the bog which makes the solid phase carbohydrates less available to microbial decomposition. Plant-associated condensed aromatics, tannins, and lignin-like compounds declined in the unsaturated palsa peat indicating decomposition, but lignin-like compounds accumulated in the bog and fen peat where decomposition was presumably inhibited by the anaerobic conditions. A molecular-level comparison of the aboveground C sources and peat SOM demonstrates that climate-associated vegetation shifts in peatlands are important controls on the mechanisms underlying changing C gas emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Strong pinning and slow flux creep relaxation in Co-doped CaFe 2 As 2 single crystals

In this paper we report on measurements of critical current densities J c and flux creep rates S of freestanding Ca(Fe 1–x Co x ) 2 As 2 (x ≈ 0.033) single crystals with T c ≈ 15.7 K by performing magnetization measurements. The magnetic field dependences of J c at low temperature display features related to strong pinning. In addition, we find that the system displays small flux creep rates. The characteristic glassy exponent, μ, and the pinning energy, U 0 , display exceptional high values for pristine crystals. We find that for magnetic fields between 0.3 T and 1 T, μ decreases from ≈ 2.8 to ≈ 2 and U 0 remains ≈ 300 K. Analysis of the pinning force indicates that the mechanism is similar to the observed in polycrystalline systems in which grain boundaries and random disorder produce the vortex pinning. Considering the large U 0 observed in the single crystal, we attempt to improve the pinning by adding random point disorder by 3 MeV proton irradiation with a fluence of 2 × 10 16 proton/cm 2 . The results show that, unlike other iron-based superconductors, the superconducting fraction is sharply reduced by irradiation. This fact indicates that the superconductivity in the system is extremely fragile to an increment in the disorder. The superconducting volume fraction in the irradiated crystal systematically recovers after removal disorder by thermal annealing, which evidences as to the observation of critical state in curves of magnetization versus magnetic field. No features related to a reentrant antiferromagnetic transition are observed for the irradiated sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Determination of the chemical shift tensor anisotropy and asymmetry of strongly dipolar coupled protons under fast MAS

Orientationally-dependent interactions such as dipolar coupling, quadrupolar coupling, and chemical shift anisotropy (CSA) contain a wealth of spatial information that can be used to elucidate molecular conformations and dynamics. To determine the sign of the chemical shift tensor anisotropy parameter (δ aniso ), both the |m| = 1 and |m| = 2 components of the CSA need to be symmetry allowed, while the recoupling of the |m| = 1 term is accompanied with the reintroduction of homonuclear dipolar coupling components. Therefore, previously suggested sequences which solely recouple the |m| = 2 term cannot determine the sign a 1 H's δ aniso in a densely-coupled network. Here, we demonstrate the CSA recoupling of strongly dipolar coupled 1 H spins using the $Cn^1_n (90_{0}360_{180}540_{0}360_{180}90_{0})$ sequence. This pulse scheme recouples both the |m| = 1 and |m| = 2 CSA terms but the scaling factors for the homonuclear dipolar coupling terms are zeroed. Consequently, the sequence is sensitive to the sign of δ aniso but is not influenced by homonuclear dipolar interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Neoclassical transport in strong gradient regions of large aspect ratio tokamaks

We present a new neoclassical transport model for large aspect ratio tokamaks where the gradient scale lengths are of the size of the ion poloidal gyroradius. Previous work on neoclassical transport across transport barriers assumed large density and potential gradients but a small temperature gradient, or neglected the gradient of the mean parallel flow. Using large aspect ratio and low collisionality expansions, we relax these restrictive assumptions. We define a new set of variables based on conserved quantities, which simplifies the drift kinetic equation whilst keeping strong gradients, and derive equations describing the transport of particles, parallel momentum and energy by ions in the banana regime. The poloidally varying parts of density and electric potential are included. Studying contributions from both passing and trapped particles, we show that the resulting transport is dominated by trapped particles. We find that a non-zero neoclassical particle flux requires parallel momentum input which could be provided through interaction with turbulence or impurities. We derive upper and lower bounds for the energy flux across a transport barrier in both temperature and density and present example profiles and fluxes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Clathrate BaNi 2 P 4 : An Interplay of Heat and Charge Transport Due to Strong Host–Guest Interactions

Heat and charge transport properties of the metallic unconventional clathrate BaNi 2 P 4 , hosting Ba cations in oversized Ni 8 P 16 cages, are investigated. A novel method of single-crystal growth was developed, yielding 2–3 mm sized crystals of BaNi 2 P 4 . We also developed a setup to accurately measure thermal conductivity and electrical resistivity of the synthesized single crystals in a wide temperature range avoiding crystal remounting. BaNi 2 P 4 has a metallic temperature dependence of its electrical resistivity (decreasing with decreasing temperature) and manifests an unconventional T 2 power law for 50 K < T < 300 K; below 50 K, the power-law exponent increases gradually such that below 10 K the power law is T 5 , a predicted but extremely rarely experimentally observed dependence for peculiar electron–phonon interactions. Furthermore, electronic band structure calculations, consistent with measurements of de Haas–van Alphen oscillations, show large band dispersions with significant contributions of Ba orbitals to states near the Fermi level, which is atypical for clathrates. The thermal properties of BaNi 2 P 4 were probed using a combination of variable-temperature single-crystal X-ray diffraction experiments, heat capacity measurements, first-principles phonon dispersion calculations, and inelastic neutron scattering measurements. BaNi 2 P 4 exhibits significant hybridization of the Ba-guest and Ni–P-framework vibrational modes, which may be enhanced via the detected split of the Ba position, which results in strong Ba-framework interactions.

36 MATERIALS SCIENCE↗