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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spin dynamics of [1,2- 13 C 2 ]pyruvate hyperpolarization by parahydrogen in reversible exchange at micro Tesla fields

Hyperpolarization of 13 C-pyruvate via Signal Amplification By Reversible Exchange (SABRE) is an important recent discovery because of both the relative simplicity of hyperpolarization and the central biological relevance of pyruvate as a biomolecular probe for in vitro or in vivo studies. Here, we analyze the [1,2- 13 C 2 ]pyruvate-SABRE spin system and its field dependence theoretically and experimentally. We provide first-principles analysis of the governing 4-spin dihydride- 13 C 2 Hamiltonian and numerical spin dynamics simulations of the 7-spin dihydride- 13 C 2 –CH 3 system. Furthermore, the analytical and the numerical results are compared to matching systematic experiments. With these methods we unravel the observed spin state mixing of singlet states and triplet states at microTesla fields and we also analyze the dynamics during transfer from micro-Tesla field to high field for detection to understand the resulting spectra from the [1,2- 13 C 2 ]pyruvate-SABRE system.

13C pyruvate↗
DOE OSTI2025

Systematic improvement of redox potential calculation of Fe(III)/Fe(II) complexes using a three-layer micro-solvation model

Electrochemical transformations of metal ions in aqueous media are challenging to model accurately due to the dynamic solvation structure surrounding ions at different charge states. Predictive modeling at the atomistic scale is essential for understanding these solvation architectures but is often computationally prohibitive. In this contribution, we present a simple, fast, and accurate three-layer micro-solvation model to evaluate the redox potential of metal ions in aqueous solutions. Our model, developed and validated for Fe 3+ /Fe 2+ redox potentials, combines the DFT-based geometry optimizations of the octahedral Fe complex with two layers of explicit water molecules to capture solute–solvent interactions and an implicit solvation model to account for bulk solvent effects. This approach yields accurate predictions for Fe 3+ /Fe 2+ redox potentials in water, achieving errors of 0.02 V with ωB97X-V, 0.01 V with ωB97X-D3, 0.04 V with ωB97M-V, and 0.02 V with B3LYP-D3 functionals. We further demonstrate the generality of our model by applying it to additional metal complexes, including the challenging Fe(CN) 6 3−/4− system, where our model successfully achieves close agreement with experimental values, with an error of 0.07 V and an average error of 0.21 V for all five systems. In summary, the presented simple solvation model has broad applicability and potential for enhancing computational efficiency in redox potential predictions across various chemical and industrial processes of metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

ZnO nanoparticles obtained by ball milling technique: Structural, micro-structure, optical and photo-catalytic properties

The ZnO nanoparticles were obtained by ball milling of commercial grade ZnO powder at 250 rpm for 20 h and studied their structural, micro-structure, optical and photo-catalytic properties. Due to ball milling significant decrease in lattice parameters and average crystalline size is noticed for the as-milled ZnO nano powder. The HRSEM images of the as-milled powder consist of agglomerated fine spherical nanoparticles in the range of ~10-20 nm. The room temperature PL spectrum of as-milled ZnO nano powder excited under 320 nm reveals two emission bands at ~406 nm (violet emission) and ~639 nm (green emission). Interestingly about 98 % of photo degradation of methylene (MB) by the ZnO catalyst is achieved at 100 minutes of solar light irradiation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Modeling of micro-scale thermoacoustics

Thermoacoustic phenomena, that is, onset of self-sustained oscillations or time-averaged fluxes in a sound wave, may be harnessed as efficient and robust heat transfer devices. Specifically, miniaturization of such devices holds great promise for cooling of electronics. At the required small dimensions, it is expected that non-negligible slip effects exist at the solid surface of the “stack”-a porous matrix, which is used for maintaining the correct temporal phasing of the heat transfer between the solid and oscillating gas. Here, we develop theoretical models for thermoacoustic engines and heat pumps that account for slip, within the standing-wave approximation. Stability curves for engines with both no-slip and slip boundary conditions were calculated; the slip boundary condition curve exhibits a lower temperature difference compared with the no slip curve for resonance frequencies that characterize micro-scale devices. Maximum achievable temperature differences across the stack of a heat pump were also calculated. For this case, slip conditions are detrimental and such a heat pump would maintain a lower temperature difference compared to larger devices, where slip effects are negligible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Low-temperature, high-density plasmas in long micro-tubes

A low-temperature He microplasma plume generated in a micro quartz tube with the inner diameter decreasing from 245 μm to 6 μm is reported. The microplasma plume has a length of around 1.5 cm and reaches the position where the tube diameter is 10 μm. Though the inner diameter of the tube is in sub-millimeter, the cross section of the tube is not fully filled with the plasma only until the tube inner diameter is down to 30 μm. The electron density estimated from H{sub α} stark broadening increases as the inner diameter of the tube decreases. The ignition voltage increases from 11 kV to 40 kV as the diameter of the inner quartz tube decreases from 245 μm to 10 μm. Further analysis shows that, in order to ignite a non-equilibrium plasma plume in 1 μm diameter tube, the applied voltage of about 65 kV is needed and the plasma density could be as high as ∼10{sup 18 }cm{sup −3}.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Effects of non-ideal boundary conditions on natural frequencies of fluid conveying micro-beams

In this study, vibrations of fluid conveying micro-beams under non-ideal boundary conditions are investigated. Non-ideal boundary conditions are modeled as a linear combination of ideal clamped and ideal simply supported boundary conditions. The weighting factor k is presented as a rate of non-ideal boundary condition. Non-ideal clamped and non-ideal simply supported beams are both considered to see the effects of the boundary conditions. Hamilton’s principle is used to obtain equations of motion of the system and the method of multiple scales which is one of the perturbation techniques is applied to the equation. Approximate solutions of the linear and nonlinear equations of motion are obtained and the effects of non-ideal boundary conditions on natural frequencies are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Micro- and nano-imaging at the diamond beamline I13L-imaging and coherence

The Diamond Beamline I13L is dedicated to imaging on the micron- and nano-lengthscale, operating in the energy range between 6 and 30 keV. For this purpose two independent stations have been built. The imaging branch is fully operational for micro-tomography and in-line phase contrast imaging with micrometer resolution. Currently a full-field microscope providing 50nm spatial resolution over a field of view of 100 µm is being tested. On the coherence branch, coherent diffraction imaging techniques such as ptychography and coherent X-ray Bragg diffraction are currently developed. The beamline contains a number of unique features. The machine layout has been modified to the so-called mini-beta scheme, providing significantly increased flux from the two canted undulators. New instrumental designs such as a robot arm for the detector in diffraction experiments have been employed. The imaging branch is operated in collaboration with Manchester University, called therefore the Diamond-Manchester Branchline.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Upgrade of beamline BL25SU for soft x-ray imaging and spectroscopy of solid using nano- and micro-focused beams at SPring-8

Substantial upgrades have been made to the beamline BL25SU at SPring-8 for soft X-ray imaging and spectroscopy of solid-state materials. The upgraded beamline consists of two branches: a micro-beam branch with high energy resolution, and a nano-beam branch with small angular divergence. The beamline has been available for use since October 2014, following a half year commissioning period. We present here the beamline performance parameters, including resolving power, photon flux, and focused beam size, which are consistent with designed specifications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Scanning thermal microscopy based on a quartz tuning fork and a micro-thermocouple in active mode (2ω method)

A novel probe for scanning thermal microscope using a micro-thermocouple probe placed on a Quartz Tuning Fork (QTF) is presented. Instead of using an external deflection with a cantilever beam for contact detection, an original combination of piezoelectric resonator and thermal probe is employed. Due to a non-contact photothermal excitation principle, the high quality factor of the QTF allows the probe-to-surface contact detection. Topographic and thermal scanning images obtained on a specific sample points out the interest of our system as an alternative to cantilevered resistive probe systems which are the most spread.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Theoretical and experimental study of the dynamic response of absorber-based, micro-scale, oscillatory probes for contact sensing applications

This paper presents two models for predicting the frequency response of micro-scale oscillatory probes. These probes are manufactured by attaching a thin fiber to the free end of one tine of a quartz tuning fork oscillator. In these studies, the attached fibers were either 75 μm diameter tungsten or 7 μm diameter carbon with lengths ranging from around 1 to 15 mm. The oscillators used in these studies were commercial 32.7 kHz quartz tuning forks. The first theoretical model considers lateral vibration of two beams serially connected and provides a characteristic equation from which the roots (eigenvalues) are extracted to determine the natural frequencies of the probe. A second, lumped model approximation is used to derive an approximate frequency response function for prediction of tine displacements as a function of a modal force excitation corresponding to the first mode of the tine in the absence of a fiber. These models are used to evaluate the effect of changes in both length and diameter of the attached fibers. Theoretical values of the natural frequencies of different modes show an asymptotic relationship with the length and a linear relationship with the diameter of the attached fiber. Similar results are observed from experiment, one with a tungsten probe having an initial fiber length of 14.11 mm incrementally etched down to 0.83 mm, and another tungsten probe of length 8.16 mm incrementally etched in diameter, in both cases using chronocoulometry to determine incremental volumetric material removal. The lumped model is used to provide a frequency response again reveals poles and zeros that are consistent with experimental measurements. Finite element analysis shows mode shapes similar to experimental microscope observations of the resonating carbon probes. This model provides a means of interpreting measured responses in terms of the relative motion of the tine and attached fibers. Of particular relevance is that, when a “zero” is observed in the response of the tine, one mode of the fiber is matched to the tine frequency and is acting as an absorber. This represents an optimal condition for contact sensing and for transferring energy to the fiber for fluid mixing, touch sensing, and surface modification applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Applicability of micro-channel plate followed by phosphor screen to charged particles

This paper experimentally investigates the applicability of a micro-channel plate (MCP) followed by a phosphor screen to charged particles along with a calibration method for estimating the acceptable limit of input particle flux and appropriate operation parameters of a particular MCP. For the first time, plasmas consisting of only lithium ions are injected into the MCP. Despite large ion numbers (N{sub i}) on the order of ≃10{sup 7}, no deterioration in the effective gain (αG) of the MCP owing to an excess amount of the extracted charge occurs in a certain range of the amplifier voltage (ΔU{sub M}) applied to the MCP. The measured αG nearly agrees with the expected value. However, once ΔU{sub M} exceeds a limit value, αG eventually begins to saturate. This is also verified in experiments using pure electron plasmas. An appropriate range of ΔU{sub M} is presented to avoid saturation and, finally, derive N{sub i} directly from the secondary electron current outputted from the MCP only after the indispensable calibration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Disentangling nonradiative recombination processes in Ge micro-crystals on Si substrates

We address nonradiative recombination pathways by leveraging surface passivation and dislocation management in μm-scale arrays of Ge crystals grown on deeply patterned Si substrates. The time decay photoluminescence (PL) at cryogenic temperatures discloses carrier lifetimes approaching 45 ns in band-gap engineered Ge micro-crystals. This investigation provides compelling information about the competitive interplay between the radiative band-edge transitions and the trapping of carriers by dislocations and free surfaces. Furthermore, an in-depth analysis of the temperature dependence of the PL, combined with capacitance data and finite difference time domain modeling, demonstrates the effectiveness of GeO{sub 2} in passivating the surface of Ge and thus in enhancing the room temperature PL emission.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. The self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis micro-scale boron nitride nanotubes at low substrate temperature

High temperature synthesis methods produce defects in 1D nanomaterials, which ultimately limit their applications. We report here the synthesis of micro-scale boron nitride nanotubes (BNNT) at low substrate temperature (300 {sup o}C) using a pulsed CO{sub 2} laser deposition technique in the presence of catalyst. The electron microscopic analyses have shown the nanotubes distributed randomly on the surface of the substrate. The average diameter (∼0.25 μm) of a nanotube, which is the highest reported value to date, is estimated by SEM data and confirmed by TEM measurements. These nanotubes are promising for high response deep-UV photo-luminescent devices. A detailed synthesis mechanism is presented and correlated with the experimental results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Direct write of copper-graphene composite using micro-cold spray

Direct write of a new class of composite materials containing copper and graphene in the powder phase is described. The composite was synthesized using batch electroless plating of copper for various times onto Nano Graphene Platelets (NGP) to control the amount of copper deposited within the loosely aggregated graphene powder. Copper deposition was confirmed by both Focused Ion Beam (FIB) and Auger electron spectroscopic analysis. A micro-cold spray technique was used to deposit traces that are ∼230 μm wide and ∼5 μm thick of the formulated copper/graphene powder onto a glass substrate. The deposited traces were found to have good adhesion to the substrate with ∼65x the copper bulk resistivity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Flow sensing by buckling monitoring of electrothermally actuated double-clamped micro beams

We report on a flow sensing approach based on deflection monitoring of a micro beam buckled by the compressive thermal stress due to electrothermal Joule's heating. The air stream, convectively cooling the device, affects both the critical buckling values of the electric current and the postbuckling deflections of the structure. After calibration, the flow velocity can be obtained from the deflection measurements. The quasi-static responses of 1000 μm and 2000 μm long, 10 μm wide, and 30 μm high single crystal silicon beams were consistent with the prediction of the model, which couples thermoelectric, thermofluidic, and structural domains. The deflection sensitivity of up to 1.5 μm/(m/s) and the critical current sensitivity of up to 0.43 mA/(m/s) were registered in the experiments. Our model and experimental results demonstrate the feasibility of the sensing approach and further suggest that simple, robust, and potentially downscalable beam-type devices may have use in flow velocity and wall shear stress sensors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Use of micro-photoluminescence as a contactless measure of the 2D electron density in a GaAs quantum well

We compare micro-photoluminescence (μPL) as a measure of the electron density in a clean, two-dimensional (2D) system confined in a GaAs quantum well (QW) to the standard magneto-transport technique. Our study explores the PL shape evolution across a number of molecular beam epitaxy-grown samples with different QW widths and 2D electron densities and notes its correspondence with the density obtained in magneto-transport measurements on these samples. We also measure the 2D density in a top-gated quantum well sample using both PL and transport and find that the two techniques agree to within a few percent over a wide range of gate voltages. We find that the PL measurements are sensitive to gate-induced 2D density changes on the order of 109 electrons/cm 2 . The spatial resolution of the PL density measurement in our experiments is 40 μm, which is already substantially better than the millimeter-scale resolution now possible in spatial density mapping using magneto-transport. Our results establish that μPL can be used as a reliable high spatial resolution technique for future contactless measurements of density variations in a 2D electron system.

42 ENGINEERING↗
DOE OSTI2018

Effect of curvature in the magnetic shear profile on micro-tearing modes in the tokamak pedestal

The pedestal region of a tokamak plasma differs from the core in several respects. This work emphasizes the magnetic shear profile in the pedestal which is distinctive for two reasons: the pedestal is close to a magnetic-field separatrix so that the q-profile is intrinsically steep, and the steep pedestal gradients cause a peak in the bootstrap current with obvious effects on q(r). In fact, the pedestal q-profile has a complicated structure yielding a curved magnetic shear profile. Global linear simulations suggest that such a q-profile could substantially affect the nature of micro-instabilities. Here, this paper analytically investigates this special feature of the pedestal, after appropriately modifying the slab-model field equations to allow for more complicated variation of the parallel wave vector. Surprisingly, the departure from a locally linear q profile (flat magnetic shear), even when small, supports a qualitatively novel mode whose width is fixed by curvature in the profile. The mode is unstable; its substantial growth rate is robust in the sense of persisting even when the q-profile modification is assumed to be small. However, this mode, originating from details of the q-profile, will not be found in a typical local ballooning gyrokinetic simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗