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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Design of a multi-functional gel polymer electrolyte with a 3D compact stacked polymer micro-sphere matrix for high-performance lithium metal batteries

We report lithium metal batteries (LMBs) are considered as promising high energy density batteries. However, they still suffer from poor cyclability due to the instability of solid electrolyte interphases (SEIs) and Li dendrite issues. Herein, a novel 3D densely packed multifunctional crosslinked gel polymer electrolyte (PHGPE) has been synthesized by in situ copolymerization of pentaerythritol tetraacrylate and 2-hydroxyethyl acrylate in a liquid electrolyte via a thermal initiation method. Due to intermolecular hydrogen bonding in the frameworks, the PHGPE exhibits a 3D compact-stacked and crosslinked micro-sphere structure, which benefits the construction of homogeneous Li + flux, enabling uniform Li plating/stripping and formation of robust SEIs onto the lithium electrode. Benefiting from the above advantages, symmetric Li cells in the PHGPE deliver excellent cyclabilities of 6000 h at a current density of 1 mA cm -2 (1 mA h cm -2 ) and 7700 h at 0.5 mA cm -2 (2 mA h cm -2 ). Moreover, the PHGPE has such a wide electrochemical window that it is compatible with both high-voltage LiNi 0.8 Co 0.1 Mn 0.1 O 2 and sulfur cathodes to realize long cycle life. Additionally, a LiFePO 4 based pouch size LMB also presents promising performance. Therefore, this study of the PHGPE has opened a new avenue for high-performance LMBs with excellent versatility and practicality.

25 ENERGY STORAGE↗
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 OSTI2011

Micro-Photoluminescence Characterization of Low Density Droplet GaAs Quantum Dots for Single Photon Sources

The GaAs quantum dots in AlGaAs barriers were grown by droplet epitaxy, emitting around 700 nm in wavelength which is compatible with low cost Si based detectors. The excitation power dependent and time resolved micro-photoluminescence measurements identified optical characteristics of exciton and biexciton states which are attributed to good quantum confinements in GaAs QDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Electron Scattering in InSb Quantum Wells due to Micro-twin Defects

The transport electron scattering due to micro-twin (MT) defects in InSb quantum wells (QWs) has been investigated at room temperature (RT). A linear-regression-based scattering analysis showed that Matthiessen's rule is applicable to the RT electron mobility in 20-nm-thick InSb QWs that contain MTs (whose density is 5.6x10{sup 2}-1.2x10{sup 4} /cm) and threading dislocations (8.7x10{sup 8}-3.2x10{sup 9} /cm{sup 2}) as dominant structural defects. For such an InSb QW whose local electron mobility in its non-MT regions is 2.8x10{sup 4}-4.5x10{sup 4} cm{sup 2}/(Vs), the MT-originated energy barrier against the electron transport is deduced to be 0.081-0.093 eV at RT.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A global model of the self-pulsing regime of micro-hollow cathode discharges

A global (volume-averaged) model of the self-pulsing regime of micro-hollow cathode discharges working in argon gas is proposed. The power balance is done using an equivalent circuit model of the discharge that allows the current and voltage dynamics to be calculated. The fraction of the total power dissipated in the discharge that contributes to electron heating is deduced from a sheath model previously described. The particle balance is first done in a very simplified reaction scheme involving only electrons, argon atomic ions, and argon molecular ions. In a second step, the excited states (the metastable state Ar*({sup 3}P{sub 2}) and the resonant state Ar*({sup 3}P{sub 1})) are included in the particle balance equations. The models are compared to experiments and several conclusions are drawn. The model without excited states underestimates the electron density and does not capture well the trends in pressure. The model with the excited states is in better agreement which shows that multi-step ionization plays a significant role. The time-evolution of the electron density follows closely that of the discharge current but the excited states density presents two peaks: (i) the first at the early stage of the current peak due to direct excitation with high electron temperature, (ii) the second at the end of the current (and electron density) peak due to large production of excited states by electron-ion recombination at very low electron temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Ion velocities in a micro-cathode arc thruster

Ion velocities in the plasma jet generated by the micro-cathode arc thruster are studied by means of time-of-flight method using enhanced ion detection system (EIDS). The EIDS triggers perturbations (spikes) on arc current waveform, and the larger current in the spike generates denser plasma bunches propagating along with the mainstream plasma. The EIDS utilizes double electrostatic probes rather than single probes. The average Ti ion velocity is measured to be around 2 Multiplication-Sign 10{sup 4} m/s without a magnetic field. It was found that the application of a magnetic field does not change ion velocities in the interelectrode region while leads to ion acceleration in the free expanding plasma plume by a factor of about 2. Ion velocities of about 3.5 Multiplication-Sign 10{sup 4} m/s were detected for the magnetic field of about 300 mT at distance of about 100-200 mm from the cathode. It is proposed that plasma is accelerated due to Lorentz force. The average thrust is calculated using the ion velocity measurements and the cathode mass consumption rate, and its increase with the magnetic field is demonstrated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Self-powered micro-structured solid state neutron detector with very low leakage current and high efficiency

We report on the design, fabrication, and performance of solid-state neutron detector based on three-dimensional honeycomb-like silicon micro-structures. The fabricated detectors use boron filled deep holes with aspect ratio of over 12 and showed a very low leakage current density of {approx}7 Multiplication-Sign 10{sup -7} A/cm{sup 2} at -1 V for device sizes varying from 2 Multiplication-Sign 2 to 5 Multiplication-Sign 5 mm{sup 2}. A thermal neutron detection efficiency of 4.5% {+-} 0.5% with discrimination setting of 500 keV and gamma to neutron sensitivity of (1.1 {+-} 0.1) Multiplication-Sign 10{sup -5} for single layer was measured without external bias for these devices. Monte-Carlo simulation predicts a maximum efficiency of 45% for such devices filled with 95% enriched {sup 10}boron.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Direct observation of grain growth from molten silicon formed by micro-thermal-plasma-jet irradiation

Phase transformation of amorphous-silicon during millisecond annealing using micro-thermal-plasma-jet irradiation was directly observed using a high-speed camera with microsecond time resolution. An oval-shaped molten-silicon region adjacent to the solid phase crystallization region was clearly observed, followed by lateral large grain growth perpendicular to a liquid-solid interface. Furthermore, leading wave crystallization (LWC), which showed intermittent explosive crystallization, was discovered in front of the moving molten region. The growth mechanism of LWC has been investigated on the basis of numerical simulation implementing explosive movement of a thin liquid layer driven by released latent heat diffusion in a lateral direction.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Observation of threshold energy and hysteresis in high current ion beam guiding and transmission through a micro-glass-capillary

The energy dependent guiding of high current density (0.1-3 A/m{sup 2}) argon ion beams through a micro-glass-capillary is studied. It is observed that ion transmission through the capillary takes place only if its energy is greater than the retarding potential barrier, which depends upon the amount of charge deposited on the capillary inner wall. Foremost evidence of the observation that the transmitted current exhibits hysteresis with ion energy is presented. Particle in cell simulations carried out by solving Poisson's and Newton's force equation self-consistently, agree reasonably well with the experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Analytical estimation of neutron yield in a micro gas-puff X pinch

In this paper, we present the basic concepts for developing a micro x pinch as a small-scale neutron source. For compact sources, these concepts offer repetitive function at higher yields and pulsing rates than competing methods. The uniqueness of these concepts arises from the use of microelectronic technology to reduce the size of the target plasma and to efficiently heat the target gas. The use of repetitive microelectromechanical systems (MEMs) gas puff technology, as compared to cryogenic wires or solid targets (for the beam-target alternatives), has the potential to be robust and have a long lifetime because the plasma is not created from solid surfaces. The modeling suggests that a 50 J at the wall plug pulse could provide >10{sup 5} tritium (DT) neutrons and 10{sup 3} deuterium (DD) neutrons at temperatures of a few keV. At 1 kHz, this would be >10{sup 8} and 10{sup 6} neutrons per second, DT and DD, respectively, with a 250 {mu}m anode-cathode gap. DT gas puff devices may provide >10{sup 12} neutrons/s operating at 1 kHz and requiring 100 kW. The MEMs approach offers potentially high pulse rates and yields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Skew photonic Doppler velocimetry to investigate the expansion of a cloud of droplets created by micro-spalling of laser shock-melted metal foils

Dynamic fragmentation in the liquid state after shock-induced melting, usually referred to as micro-spallation, is an issue of great interest for both basic and applied sciences. Recent efforts have been devoted to the characterization of the resulting ejecta, which consist in a cloud of fine molten droplets. Major difficulties arise from the loss of free surface reflectivity at shock breakout and from the wide distribution of particle velocities within this cloud. We present laser shock experiments on tin and aluminium, to pressures ranging from about 70 to 160 GPa, with complementary diagnostics including a photonic Doppler velocimeter set at a small tilt angle from the normal to the free surface, which enables probing the whole cloud of ejecta. The records are roughly consistent with a one-dimensional theoretical description accounting for laser shock loading, wave propagation, phase transformations, and fragmentation. The main discrepancies between measured and calculated velocity profiles are discussed in terms of edge effects evidenced by transverse shadowgraphy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Resonance, particle dynamics, and particle transmission in the micro-accelerator platform

We describe particle dynamics in the Micro-Accelerator Platform (MAP), a slab-symmetric dielectric laser accelerator (DLA), and model the expected performance of recently fabricated MAP structures. The quality of the structure resonances has been characterized optically, and results are compared with simulation. 3D trajectory analysis is used to model acceleration in those same structures 'as built.' Results are applied to ongoing beam transmission and acceleration tests at NLCTA/E-163, in which transmission of 60 MeV injected electrons through the beam channel of the MAP was clearly observed, despite the overfilling of the structure by the beam.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

A micro seismometer based on molecular electronic transducer technology for planetary exploration

This letter describes an implementation of micromachined seismometer based on molecular electronic transducer (MET) technology. As opposed to a solid inertial mass, MET seismometer senses the movement of liquid electrolyte relative to fixed electrodes. The employment of micro-electro-mechanical systems techniques reduces the internal size of the sensing cell to 1{mu}m and improves the reproducibility of the device. For operating bias of 600 mV, a sensitivity of 809 V/(m/s{sup 2}) was measured under acceleration of 400{mu}g(g{identical_to}9.81m/s{sup 2}) at 0.32 Hz. A -115 dB (relative to (m/s{sup 2})/{radical}(Hz)) noise level at 1 Hz was achieved. This work develops an alternative paradigm of seismic sensing device with small size, high sensitivity, low noise floor, high shock tolerance, and independence of installation angle, which is promising for next generation seismometers for planetary exploration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Self-organized micro-holes on titania based sol-gel films under continuous direct writing with a continuous wave ultraviolet laser

The microstructuring of titania based sol-gel films is investigated by direct writing with a continuous wave ultraviolet laser beam emitting at 244 nm. Depending on the exposure conditions, the films exhibit a volume expansion, a volume shrinkage, a self-shaped delamination, or are damaged. This paper is mainly focused on the regime where spontaneous local delamination occurs, which corresponds to a narrow range of laser irradiances and writing speeds. In this regime, self-organized round-shape micro-holes opened on the substrate are generated.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Theoretical and experimental study of the bending influence on the capacitance of interdigitated micro-electrodes patterned on flexible substrates

Interdigitated electrodes are common structures in the fields of microelectronics and MEMS. Recent developments in flexible electronics compel an understanding of such structures under bending constraints. In this work, the behavior of interdigitated micro-electrodes when subjected to circular bending has been theoretically and experimentally studied through changes in capacitance. An analytical model has been developed to calculate the expected variation in capacitance of such structures while undergoing outward and inward bending along the direction perpendicular to the electrodes. The model combines conformal mapping techniques to account for the electric field redistribution and fundamental aspects of solid mechanics in order to define the geometrical deformation of the electrodes while bending. To experimentally verify our theoretical predictions, several interdigitated electrode structures with different geometries were fabricated on polymeric substrates by means of photolithography. The samples, placed in a customized bending setup, were bent to controlled radii of curvature while measuring their capacitance. A maximum variation in capacitance of less than 3% was observed at a minimum radius of curvature of 2.5 mm for all the devices tested with very thin electrodes whereas changes of up to 7% were found on stiffer, plated electrodes. Larger or smaller variations would be possible, in theory, by adjusting the geometry of the device. This work establishes a useful predictive tool for the design and evaluation of truly flexible/bendable electronics consisting of interdigitated structures, allowing one to tune the bending influence on the capacitance value through geometrical design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Depth-resolved confocal micro-Raman spectroscopy for characterizing GaN-based light emitting diode structures

In this work, we demonstrate that depth-resolved confocal micro-Raman spectroscopy can be used to characterize the active layer of GaN-based LEDs. By taking the depth compression effect due to refraction index mismatch into account, the axial profiles of Raman peak intensities from the GaN capping layer toward the sapphire substrate can correctly match the LED structural dimension and allow the identification of unique Raman feature originated from the 0.3 μm thick active layer of the studied LED. The strain variation in different sample depths can also be quantified by measuring the Raman shift of GaN A{sub 1}(LO) and E{sub 2}(high) phonon peaks. The capability of identifying the phonon structure of buried LED active layer and depth-resolving the strain distribution of LED structure makes this technique a potential optical and remote tool for in operando investigation of the electronic and structural properties of nitride-based LEDs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Simulations of magnetic field gradients due to micro-magnets on a triple quantum dot circuit

To quantify the effects of local magnetic fields on triple quantum dots, the Heisenberg Hamiltonian has been diagonalized for three electrons coupled via the exchange interaction. In particular, we have investigated different geometries of micro-magnets located on top of the triple dot in order to optimize the field gradient characteristics. In this paper, we focus on two geometries which are candidates for an addressable EDSR triple quantum dot device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗