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At least 307 records · Page 17

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DOE OSTI2017

Formation of High-Field Pinning Centers in Superconducting MgB{sub 2} Wires by Using High Hot Isostatic Pressure Process

This paper demonstrates the effects of hot isostatic pressure (HIP) on the structure and transport critical parameters of in situ MgB{sub 2} wires without a barrier. Our results show that only HIP and nano-boron allow the formation of more high-field pinning centers, which lead to the increase in critical current density (J{sub c}) at high applied magnetic fields. Nano-boron and annealing at a low pressure increase the J{sub c} in the low magnetic field. This indicates that nano-particles create more high-field pinning centers. In addition, the results show that nano-boron improves the connection between the grains. Scanning electron microscope results show that HIP increases the reaction rate between Mg and B, density, and homogeneity of the MgB{sub 2} material. Additionally, HIP allows to create a structure with small grains and voids and eliminates the significance of the number of voids. High isostatic pressure allows to obtain high J{sub c} of 10 A/mm{sup 2} (at 4.2 K) in 10 T and increases irreversible magnetic field (B{sub irr}) and upper critical field (B{sub c2}). Measurements show that these wires have high critical temperature of 37 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Enhanced Pinning Properties of the Bilayers of YDy{sub 0.5}Ba{sub 2}Cu{sub 3}O{sub 7−δ} by SrZrO{sub 3} Nanoparticles through Low Fluorine Metallorganic Solution Deposition

Bilayered YDy{sub 0.5}Ba{sub 2}Cu{sub 3.6}O{sub 7−δ} superconducting films with a thickness of about 1 μ were deposited by metallorganic deposition method, an interlayer of secondary phase of SrZrO{sub 3} (SZO) and BaZrO{sub 3} (BZO) were inserted. Detailed growth mechanism studies of these structures as well as superconducting properties in different temperatures and magnetic field range (0–5 T) were investigated. Structural analysis showed that bilayer structure changed clearly the growth mechanism of YBCO. The SZO interlayer smoothens the film surface. Magnetic measurements of superconducting properties demonstrated that the critical temperature decreases slightly when both of SZO and BZO interlayer were inserted. This indicates a growing strain effect at the layer interfaces. The critical current densities as well as pining forces of bilayered YDy{sub 0.5}Ba{sub 2}Cu{sub 3.6}O{sub 7−δ} in the entire applied temperature and magnetic field range were enhanced by the insertion of SZO layer and decreased when BZO layer is introduced. The enhancement of the pinning properties is explained by the dense flux pinning in layered YDyBCO superconductors; this result may give further improvements in the current-carrying capability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Influence of Particle Size on the Spin Pinning Effect in the fcc-FePt Nanoparticles

In this work, the Fe{sub 60}Pt{sub 40} nanoparticles were synthesized through the chemical reduction method by using the Fe(CO){sub 5} and the Pt(acac){sub 2} as the metallic precursor. The particle size of the synthesized FePt nanoparticles was controlled by adjusting the reaction conditions involving of the Fe(CO){sub 5}-injecting temperature and the soak time of reaction. The structure, morphology, and magnetic properties of the synthesized FePt nanoparticles were characterized by XRD, TEM, and vibrating sample magnetometer (VSM), respectively. The synthesized nanoparticles exhibit uniform size and good dispersity. The magnetization behaviors indicate that the nanoparticles present the core-shell magnetic structure including the ferromagnetic core part and the spin-disorder shell part. There exists a spin pinning effect of the shell part on the core part. The increase of particle size weakens the spin pinning effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

A Numerical Investigation of the Pinning Phenomenon in Quasi-Periodic Frenkel Kontrova Model Under an External Force

We perform a numerical study on Frenkel–Kontrova (FK) models in quasi-periodic media subject to a constant external force. The quasi-periodic FK models appear in several physical problems such as deposition, spin waves in 1-D, planar dislocations in 3-D either in a quasi-crystal or on a cleaved surface with irrational slopes of a periodic crystal. The phenomenon that we study is pinning. When there is no force, the very homogeneous equilibria are abundant, but when there is a constant force, the uniformly distributed equilibrium states just slide away and the physically relevant equilibria are configurations with frequencies (inverse of densities in some interpretation) that are resonant with the frequencies of the medium. We use a dynamical interpretation of the equilibrium equation and perform a systematic Monte-Carlo exploration of the equilibria. We study the geometry and quantitative properties of the equilibria after the application of a constant external force. This leads to several quantitative regularities on the abundance and geometric properties of the pinned states in the models we consider. This complements recent qualitative studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Carbon Nanotube Fiber Ionization Mass Spectrometry: A Fundamental Study of a Multi-Walled Carbon Nanotube Functionalized Corona Discharge Pin for Polycyclic Aromatic Hydrocarbons Analysis

Mass spectrometry continues to tackle many complicated tasks, and ongoing research seeks to simplify its instrumentation as well as sampling. The desorption electrospray ionization (DESI) source was the first ambient ionization source to function without extensive gas requirements and chromatography. Electrospray techniques generally have low efficiency for ionization of nonpolar analytes and some researchers have resorted to methods such as direct analysis in real time (DART) or desorption atmospheric pressure chemical ionization (DAPCI) for their analysis. In this work, a carbon nanotube fiber ionization (nanoCFI) source was developed and was found to be capable of solid phase microextraction (SPME) of nonpolar analytes as well as ionization and sampling similar to that of direct probe atmospheric pressure chemical ionization (DP-APCI). Conductivity and adsorption were maintained by utilizing a corona pin functionalized with a multi-walled carbon nanotube (MWCNT) thread. Quantitative work with the nanoCFI source with a designed corona discharge pin insert demonstrated linearity up to 0.97 (R{sup 2}) of three target PAHs with phenanthrene internal standard. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

High performance high-power textured Mn/Cu-doped PIN-PMN-PT ceramics

Piezoelectric ceramics with combinatory soft and hard characteristics are highly desired for high-power applications. However, it remains grand challenge to achieve simultaneous presence of hard (e.g. high coercive field, E c ; high mechanical quality factor, Q m ) and soft (e.g. high piezoelectric constant, d; high electromechanical coupling factor, k) piezoelectric properties in piezoelectric ceramics since the mechanism controlling the hard behavior (pinned domain walls) will significantly reduce the soft behavior. Here, we address this grand challenge and demonstrate <001> textured MnO 2 and CuO co-doped Pb(In 1/2 Nb 1/2 )O 3- Pb(Mg 1/3 Nb 2/3 )O 3- PbTiO 3 (PIN-PMN-PT) ceramics exhibiting ultrahigh combined soft and hard piezoelectric properties (d 33 = 713 pC N –1 , k 31 = 0.52, Q m ≈950, E c = 9.6 kV cm –1 , tan δ = 0.45%). The outstanding electromechanical properties are explained by considering composition/phase selection, crystallographic anisotropy and defect engineering. Phase-field model in conjunction with high resolution electron microscopy and diffraction techniques is utilized to delineate the contributions arising from intrinsic piezoelectric response, domain dynamics, and local structural heterogeneity. Furthermore, these results will have significant impact in the development of high-power transducers and actuators.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Code Verification and Solution Verification framework in pin-resolved neutron transport code MPACT

Program verification in scientific computing encompasses the application of formal and mathematical techniques to a scientific computing code for its credibility, accuracy, and validity. Code Verification identifies bugs and performance issues in the software development stage. Solution Verification assesses the applicability of the code and the accuracy of the solution to problems of interest. Both activities utilize application cases and quantify the error against prescribed acceptance criteria. However, simply executing more application cases does not guarantee stronger or more comprehensive credibility. Here, we establish a verification framework that involves Code Verification and Solution Verification, both of which work together such that the overarching goal of “converge to the correct answer for the intended application” can be reasonably inferred. The application of such a verification framework is demonstrated using the pin-resolved neutron transport code MPACT, where standard unit tests and regression tests are covered, and where the Method of Exact Solutions and the Method of Manufactured Solutions are successfully used. Additionally, the applicability of Method of Manufactured Solutions is extended to the OECD/NEA C5G7 benchmark problems of practical material and geometric configurations. Solution Verification activities are demonstrated on a practical hierarchy of application models of increasing complexity ranging from 2D pin cell problems to 3D assembly problems. The convergence behavior and rate of convergence with respect to each individual variable are studied and provided. This framework can be adapted broadly to other fields involving scientific computing codes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Pinned Electrode/Electrolyte Interphase and Its Formation Origin for Sulfurized Polyacrylonitrile Cathode in Stable Lithium Batteries

Sulfurized polyacrylonitrile (SPAN) represents one of the most promising directions for high-energy-density lithium (Li)-sulfur batteries. However, the practical application of Li||SPAN is currently limited by the insufficient chemical/electrochemical stability of electrode/electrolyte interphase (EEI). Here, a pinned EEI layer is designed for stabilizing a SPAN cathode by regulating the EEI formation mechanism in an advanced LiFSI/ether/fluorinated-ether electrolyte. Computational simulations and experimental investigations reveal that, benefiting from the nonsolvating nature, the fluorinated-ether can not only act as a protective shield to prevent the Li polysulfides dissolution but also, more importantly, endow a diffusion-controlled EEI formation process. It promotes the formation of a uniform, protective, and conductive EEI layer pinning into SPAN surface region, enabling the high loading Li||SPAN batteries with superior cycling stability, wide temperature performance, and high-rate capability. Finally, this design strategy opens an avenue for exploring advanced electrolytes for Li||SPAN batteries and guides the interface design for broad types of battery systems.

25 ENERGY STORAGE↗

DOE OSTI2026

Buried Interfaces in Organic Photocathodes for H 2 Evolution: Fermi-Level Pinning and Recombination

Herein, we demonstrate how Fermi-level pinning at buried contacts impacts solar fuel generation in all-polymer photocathodes by systematically comparing the effects of work function, hydroxyl coverage, and hydrogen evolution using chemically modified indium tin oxide (ITO) supports. Photovoltages and net photocathode performance are improved when the ITO is passivated using phosphonic acids, independent of work function, suggesting that the passivation reduces Fermi-level pinning at the buried interface arising from blended heterojunction interactions with surface metal hydroxyls. Transient photovoltage decay reveals differences in recombination mechanisms, supported by light intensity-dependent measurements. Briefly, nonpassivated, hydrophilic contacts exhibit trap-assisted recombination, while passivated, hydrophobic contacts follow bimolecular recombination. We then investigate changes in electroactivity of hole-transfer processes as a function of scan rate and repetitive cycling using a diffusion-controlled molecular redox probe, analogous to a hole-only device achieved via the electrolyte. The nonpassivated buried contacts exhibit higher overpotentials for oxidation, indicative of hole injection/extraction barriers. We observe irreversible electron transfer via the hole-transport level of the blended heterojunction and a strong cycle dependence, consistent with changes in the hole trap state density. Passivation results in more reversible redox behaviors, consistent with more Ohmic-like contacts. Collectively, these results provide context toward the realization of durable organic photoelectrodes with optimized photovoltages and net solar-to-hydrogen conversion efficiencies via fundamental understanding of the rates of carrier generation, recombination, and transport in high-dielectric aqueous environments and opportunities to characterize buried interfaces under device-relevant electric fields.

buried interfaces↗

DOE OSTI2021

Magnetic domains and domain wall pinning in atomically thin CrBr 3 revealed by nanoscale imaging

The emergence of atomically thin van der Waals magnets provides a new platform for the studies of two-dimensional magnetism and its applications. However, the widely used measurement methods in recent studies cannot provide quantitative information of the magnetization nor achieve nanoscale spatial resolution. These capabilities are essential to explore the rich properties of magnetic domains and spin textures. Here, we employ cryogenic scanning magnetometry using a single-electron spin of a nitrogen-vacancy center in a diamond probe to unambiguously prove the existence of magnetic domains and study their dynamics in atomically thin CrBr 3 . By controlling the magnetic domain evolution as a function of magnetic field, we find that the pinning effect is a dominant coercivity mechanism and determine the magnetization of a CrBr 3 bilayer to be about 26 Bohr magnetons per square nanometer. The high spatial resolution of this technique enables imaging of magnetic domains and allows to locate the sites of defects that pin the domain walls and nucleate the reverse domains. Our work highlights scanning nitrogen-vacancy center magnetometry as a quantitative probe to explore nanoscale features in two-dimensional magnets.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Flexural phonons in supported graphene: from pinning to localization

We identify graphene layer on a disordered substrate as a system where localization of phonons can be observed. Generally, observation of localization for scattering waves is not simple, because the Rayleigh scattering is inversely proportional to a high power of wavelength. The situation is radically different for the out of plane vibrations, so-called flexural phonons, scattered by pinning centers induced by a substrate. In this case, the scattering time for vanishing wave vector tends to a finite limit. One may, therefore, expect that physics of the flexural phonons exhibits features characteristic for electron localization in two dimensions, albeit without complications caused by the electron-electron interactions. We confirm this idea by calculating statistical properties of the Anderson localization of flexural phonons for a model of elastic sheet in the presence of the pinning centers. Finally, we discuss possible manifestations of the flexural phonons, including the localized ones, in the electronic thermal conductance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Quantitative imaging and automated fuel pin identification for passive gamma emission tomography

Compliance of member States to the Treaty on the Non-Proliferation of Nuclear Weapons is monitored through nuclear safeguards. The Passive Gamma Emission Tomography (PGET) system is a novel instrument developed within the framework of the International Atomic Energy Agency (IAEA) project JNT 1510, which included the European Commission, Finland, Hungary and Sweden. The PGET is used for the verification of spent nuclear fuel stored in water pools. Advanced image reconstruction techniques are crucial for obtaining high-quality cross-sectional images of the spent-fuel bundle to allow inspectors of the IAEA to monitor nuclear material and promptly identify its diversion. In this work, we have developed a software suite to accurately reconstruct the spent-fuel cross sectional image, automatically identify present fuel rods, and estimate their activity. Unique image reconstruction challenges are posed by the measurement of spent fuel, due to its high activity and the self-attenuation. While the former is mitigated by detector physical collimation, we implemented a linear forward model to model the detector responses to the fuel rods inside the PGET, to account for the latter. The image reconstruction is performed by solving a regularized linear inverse problem using the fast-iterative shrinkage-thresholding algorithm. We have also implemented the traditional filtered back projection (FBP) method based on the inverse Radon transform for comparison and applied both methods to reconstruct images of simulated mockup fuel assemblies. Higher image resolution and fewer reconstruction artifacts were obtained with the inverse-problem approach, with the mean-square-error reduced by 50%, and the structural-similarity improved by 200%. We then used a convolutional neural network (CNN) to automatically identify the bundle type and extract the pin locations from the images; the estimated activity levels finally being compared with the ground truth. The proposed computational methods accurately estimated the activity levels of the present pins, with an associated uncertainty of approximately 5%.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Non-symmetric pinning of topological defects in living liquid crystals

Topological defects, such as vortices and disclinations, play a crucial role in spatiotemporal organization of equilibrium and non-equilibrium systems. The defect immobilization or pinning is a formidable challenge in the context of the out-of-equilibrium system, like a living liquid crystal, a suspension of swimming bacteria in lyotropic liquid crystal. Here we control the emerged topological defects in a living liquid crystal by arrays of 3D-printed microscopic obstacles (pillars). Our studies show that while –1/2 defects may be easily immobilized by the pillars, +1/2 defects remain motile. Due to attraction between oppositely charged defects, positive defects remain in the vicinity of pinned negative defects, and the diffusivity of positive defects is significantly reduced. Experimental findings are rationalized by computational modeling of living liquid crystals. Our results provide insight into the engineering of active systems via targeted immobilization of topological defects.

42 ENGINEERING↗

DOE OSTI2021

Strong Fermi-level pinning at metal contacts to halide perovskites

The performance of halide perovskite-based electronic and optoelectronic devices is often related to interfacial charge transport. To shed light on the underlying physical and chemical properties of CH 3 NH 3 PbI 3 (MAPbI 3 ) in direct contact with common electrodes Al, Ti, Cr, Ag, and Au, the evolution of interfacial properties and Fermi level pinning is systematically studied. Given a unique experimental facility, pristine interfaces without any exposure to ambient air were prepared. We observe aggregation of substantial amounts of metallic lead (Pb 0 ) at the metal/MAPbI 3 interface, resulting from the interfacial reaction between the deposited metal and iodine ions from MAPbI 3 . It is found that the Schottky barrier height at the metal/MAPbI 3 interface is independent of the metal work function due to strong Fermi level pinning, possibly due to the metallic Pb 0 aggregates, which act as interfacial trap sites. The charge neutrality level of MAPbI 3 is consistent with the energy level of Pb 0 -related defects, indicating that Pb 0 interfacial trap states can be nonradiative recombination sites. Here this work underlines that control of chemical bonding at interfaces is a key factor for designing future halide perovskite-based devices.

36 MATERIALS SCIENCE↗

DOE OSTI2014

On the roles of Bi{sub 2}Sr{sub 2}CuO{sub x} intergrowths in Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x}/Ag round wires: c-axis transport and magnetic flux pinning

Despite progress in the performance of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} (Bi2212)/Ag multifilamentary round wires, understanding the impact of microstructural defects on multiple length scales on electrical transport remains a significant challenge. Many recent studies have focused on porosity, but porosity is not the only factor in determining J{sub c}. The primary impurity in partial-melt processed multifilamentary Bi2212 wires is Bi{sub 2}Sr{sub 2}CuO{sub x} (Bi2201), which forms as mesoscopic grains and nanoscopic intergrowths. Previously, we showed the destructive effect of Bi2201 grains on transport. Here, we relate scanning transmission electron microscopy results to the Bi2212 coherence length, anisotropic magnetization behavior, and magnetic-field dependent transport to study c-axis transport and the effects of Bi2201 intergrowths on magnetic flux pinning. We show that wide Bi2201 intergrowths are barrier to c-axis transport within Bi2212 grains, whereas narrow (half- and full-cell) Bi2201 intergrowths are not detrimental to c-axis transport and are likely magnetic flux pinning centers. These results have significant impact on the understanding of Bi2212/Bi2201 systems and provide important physical insight towards future improvements in devices based upon wires, film, and junctions.

36 MATERIALS SCIENCE↗

DOE OSTI2014

The pinning effect in quantum dots

The pinning effect is studied in a Gaussian quantum dot using the improved Wigner-Brillouin perturbation theory (IWBPT) in the presence of electron-phonon interaction. The electron ground state plus one phonon state is degenerate with the electron in the first excited state. The electron-phonon interaction lifts the degeneracy and the first excited states get pinned to the ground state plus one phonon state as we increase the confinement frequency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Reliable reduction of Fermi-level pinning at atomically matched metal/Ge interfaces by sulfur treatment

This study demonstrates that by using a sulfur (S) treatment on the Ge surface, a reduction in Fermi level pinning can reproducibly be achieved at atomically matched metal/Ge(111) interfaces. The Schottky barrier height for p-type Ge can be controlled by changing the metal work function despite the metal/Ge junctions. The results indicate that the combination of atomic-arrangement matching and S treatment can remove extrinsic factors influencing Fermi level pinning at metal/Ge interfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Alleviation of fermi-level pinning effect at metal/germanium interface by the insertion of graphene layers

In this paper, we report the alleviation of the Fermi-level pinning on metal/n-germanium (Ge) contact by the insertion of multiple layers of single-layer graphene (SLG) at the metal/n-Ge interface. A decrease in the Schottky barrier height with an increase in the number of inserted SLG layers was observed, which supports the contention that Fermi-level pinning at metal/n-Ge contact originates from the metal-induced gap states at the metal/n-Ge interface. The modulation of Schottky barrier height by varying the number of inserted SLG layers (m) can bring about the use of Ge as the next-generation complementary metal-oxide-semiconductor material. Furthermore, the inserted SLG layers can be used as the tunnel barrier for spin injection into Ge substrate for spin-based transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗