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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

An energy-optimization method to study gel-swelling in confinement

Using our open-source programming environment Morpho, an energy-optimization method is developed to compute equilibrium shapes of an arbitrarily confined swollen hydrogel. The internal strains and contact forces are measured, probing its mechanics.

Joshi, Chaitanya↗
DOE OSTI2024

Beyond conventional batteries: a review on semi-solid and redox targeting flow batteries-LiFePO{sub 4} as a case study.

Clean and sustainable energy is becoming increasingly crucial to tackle the current energy crisis. However, the intermittent nature of renewable energy sources presents a challenge for their effective implementation. Redox flow batteries (RFBs) have emerged as a promising solution to this problem, as they can help enhance the stability of grid networks and promote the use of renewable energy sources. RFBs are highly modular and scalable systems that can be customized to meet the power and energy requirements of different renewable energy plants. Moreover, they offer several advantages over conventional battery technologies, including cost and safety concerns. However, conventional RFBs have limited energy densities due to the low solubility of their active species in electrolyte. To overcome this limitation, semi-solid (SSRFBs) and redox targeting (RTFBs) flow batteries have been proposed. These systems feature high concentrations of active species and impressive energy densities, making them highly attractive for renewable energy applications. LiFePO4 (LFP) is a highly promising active material for semi-solid and targeting flow batteries. One of the key advantages of LFP is its low raw materials cost, as it is composed of Earth-abundant elements such as iron and phosphorus. This makes it an attractive option for large-scale battery production. The recent developments in SSRFBs and RTFBs using LFP as catholyte hold great promise for the future of sustainable energy storage. The combination of LFP's low cost, safety, durability, and high energy density with the modularity and scalability of flow battery systems make for a compelling solution to the challenges of intermittent renewable energy sources. Ongoing research and development in this area will likely yield even further improvements in the performance and efficiency of LFP-based flow batteries, opening exciting new possibilities for sustainable energy storage.

El Halya, Nabil↗
DOE OSTI2013

Study of Rayleigh–Taylor growth in laser irradiated planar SiO{sub 2} targets at ignition-relevant conditions

Rayleigh–Taylor (RT) growth experiments were performed on the OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] using planar SiO{sub 2} targets seeded with a single mode 60-μm wavelength perturbation driven at peak laser intensities up to 9 × 10{sup 14} W/cm{sup 2}. These are the first RT measurements in SiO{sub 2} at conditions relevant to direct-drive inertial confinement fusion ignition. The measured average modulation growth rates agree with the 2-D hydrodynamics code DRACO, providing an important step in the development of target ablators that are robust to RT growth and hot- electron preheat considerations when driven at the intensities required to achieve thermonuclear ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Spin and orbital magnetism of coinage metal trimers (Cu{sub 3}, Ag{sub 3}, Au{sub 3}): A relativistic density functional theory study

We have demonstrated electronic structure and magnetic properties of Cu{sub 3}, Ag{sub 3} and Au{sub 3} trimers using a full potential local orbital method in the framework of relativistic density functional theory. We have also shown that the non-relativistic generalized gradient approximation for the exchange-correlation energy functional gives reliable magnetic properties in coinage metal trimers compared to experiment. In addition we have indicated that the spin-orbit coupling changes the structure and magnetic properties of gold trimer while the structure and magnetic properties of copper and silver trimers are marginally affected. A significant orbital moment of 0.21μ{sub B} was found for most stable geometry of the gold trimer whereas orbital magnetism is almost quenched in the copper and silver trimers.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Study of carrier recombination transient characteristics in MOCVD grown GaN dependent on layer thickness

The MOCVD grown GaN epi-layers of different thickness have been examined in order to clarify a role of surface recombination, to separate an impact of radiative and non-radiative recombination and disorder factors. The microwave probed –photoconductivity (MW-PC) and spectrally resolved photo-luminescence (PL) transients were simultaneously recorded under ultraviolet (UV) light 354 nm pulsed 500 ps excitation. The MW-PC transients exhibited the carrier decay components associated with carrier decay within micro-crystals and the disordered structure on the periphery areas surrounding crystalline columns. Three PL bands were resolved within PL spectrum, namely, the exciton ascribed UV-PL band edge for hν>3.3 eV, blue B-PL band for 2.5 < hν < 3.0 eV and yellow Y-PL band with hν < 2.4 eV. It has been obtained that intensity of UV-PL band increases with excitation density, while intensity of B-PL band is nearly invariant. However, intensity of the Y-PL increases with reduction of the excitation density. The Y-PL can be associated with trapping centers. A reduction of UV excitation density leads to a decrease of the relative amplitude of the asymptotic component within the MW-PC transients and to an increase of the amplitude as well as duration of the yellow spectral band (Y-PL) asymptotic component. Fractional index α with values 0.5 < α < 0.8 was evaluated for the stretched-exponent component which fits the experimental transients determined by the disordered structure ascribed to the periphery areas surrounding the crystalline columns.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A platform for x-ray absorption fine structure study of dynamically compressed materials above 1 Mbar [A platform for XAFS study of dynamically compressed materials above 1 Mbar]

Here, a platform consisting of a multi-shock drive and an implosion backlighter has been developed for x-ray absorption fine structure (XAFS) measurements on materials compressed to multi-Mbar pressures. The experimental setup, target design, and backlighter characteristics are presented. Extended XAFS (EXAFS) measurements for various materials have been demonstrated. A quintuple-crystal design is described to enhance the efficiency of the x-ray spectrometer, enabling observation of very weak EXAFS signals in a single shot.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Permeation of low-Z atoms through carbon sheets: Density functional theory study on energy barriers and deformation effects

Energetic and geometric aspects of the permeation of the atoms hydrogen to neon neutral atoms through graphene sheets are investigated by investigating the associated energy barriers and sheet deformations. Density functional theory calculations on cluster models, where graphene is modeled by planar polycyclic aromatic hydrocarbons (PAHs), provide the energies and geometries. Particularities of our systems, such as convergence of both energy barriers and deformation curves with increasing size of the PAHs, are discussed. Three different interaction regimes, adiabatic, planar and vertical, are investigated by enforcing different geometrical constraints. The adiabatic energy barriers range from 5 eV for hydrogen to 20 eV for neon. We find that the permeation of oxygen and carbon into graphene is facilitated by temporary chemical bonding while for other, in principle reactive atoms, it is not. We discuss implications of our results for modeling chemical sputtering of graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2014

In situ X-ray powder diffraction study of Ho{sub 5}Ge{sub 4}

In Ho{sub 5}Ge{sub 4} the magnetostructural transition (MST) from high temperature paramagnetic Sm{sub 5}Ge{sub 4}-type (O-II type) orthorhombic structure to a new low temperature antiferromagnetic (AFM) monoclinic structure (Mβ-structure; the distortion occurs in the ac-plane) results in discontinuities of 400, 400, and 300 ppm along a, b, and c axes, respectively. During MST the unit cell volume exhibits discontinuity of 1000 ppm, and changes in both inter and intra slab bonds are less than 2%. In the AFM state the application of 35 kOe magnetic field leads to a partial reconstruction of the high temperature O-II structure, which is accompanied with a large magnetostriction. The strain energy associated with magnetostriction effects leads to an incomplete field driven MST in the magnetically ordered state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques

This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Photoluminescence studies of Y{sub 2}O{sub 3}:Eu{sup 3+} under high pressure

The Eu-doped yttria (Y{sub 2}O{sub 3}:Eu{sup 3+}) has been investigated by the in situ high-pressure angle dispersive synchrotron X-ray diffraction (XRD) and the photoluminescence (PL) spectroscopy. The red shift and intensity ratio variation of emissions with increasing pressure were observed and elucidated. It was found that the red shift of emissions is related to the expansion of the f orbit of the Eu{sup 3+} and the intensity ratio variation of emissions is ascribed to the change of the crystal field under high pressure. The pressure-induced changes in spectrum are related to the phase transition, which was confirmed by XRD pattern. The two high pressure phases were identified as the monoclinic (C2/m) phase and hexagonal (P-3m1) phase by the Rietveld refinement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

In-situ neutron diffraction study of deformation behavior of a multi-component high-entropy alloy

Deformation behavior of a high-entropy alloy (HEA) was investigated by in situ tensile deformation with neutron diffraction. It was found that the face-centered cubic (FCC) HEA alloy showed strong crystal elastic and plastic anisotropy, and the evolution of its lattice strains and textures were similar to those observed in conventional FCC metals and alloys. Our results demonstrated that, in spite of chemical complexity, the multi-component HEA behaved like a simple FCC metal and the deformation was caused by the motion of mixed dislocations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗