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Results for “synthesis (scalable processing)”

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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Thermal Interface Conductance Between Aluminum and Silicon by Molecular Dynamics Simulations

The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The findings demonstrate the size dependence of the interface thermal conductance and the effect of electron–phonon coupling on the interface thermal conductance. To understand the mechanism of interface resistance, the vibration power spectra are calculated. We postulate that the atomic level disorder near the interface is an important aspect of interfacial phonon transport, which leads to a modification of the phonon states near the interface. There, the vibrational spectrum near the interface greatly differs from the bulk. This change in the vibrational spectrum affects the results predicted by AMM and DMM theories and indicates new physics is involved with phonon transport across interfaces.

42 ENGINEERING↗
DOE OSTI2015

First-principles simulation of electron mean-free-path spectra and thermoelectric properties in silicon

The mean free paths (MFPs) of energy carriers are of critical importance to the nano-engineering of better thermoelectric materials. Despite significant progress in the first-principles–based understanding of the spectral distribution of phonon MFPs in recent years, the spectral distribution of electron MFPs remains unclear. We compute the energy-dependent electron scatterings and MFPs in silicon from first principles. The electrical conductivity accumulation with respect to electron MFPs is compared to that of the phonon thermal conductivity accumulation to illustrate the quantitative impact of nanostructuring on electron and phonon transport. By combining all electron and phonon transport properties from first principles, we predict the thermoelectric properties of the bulk and nanostructured silicon, and find that silicon with 20 nm nanograins can result in a higher than five times enhancement in their thermoelectric figure of merit as the grain boundaries scatter phonons more significantly than that of electrons due to their disparate MFP distributions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Perfect single-sided radiation and absorption without mirrors

Highly directional radiation from photonic structures is important for many applications, including high-power photonic crystal surface-emitting lasers, grating couplers, and light detection and ranging devices. However, previous dielectric, few-layer designs only achieved moderate asymmetry ratios, and a fundamental understanding of bounds on asymmetric radiation from arbitrary structures is still lacking. Here in this paper, we show that breaking the 180° rotational symmetry of the structure is crucial for achieving highly asymmetric radiation. We develop a general temporal coupled-mode theory formalism to derive bounds on the asymmetric decay rates to the top and bottom of a photonic crystal slab for a resonance with arbitrary in-plane wavevector. Guided by this formalism, we show that infinite asymmetry is still achievable even without the need for back-reflection mirrors, and we provide numerical examples of designs that achieve asymmetry ratios exceeding 10 4 . The emission direction can also be rapidly switched from top to bottom by tuning the wavevector or frequency. Furthermore, we show that with the addition of weak material absorption loss, such structures can be used to achieve perfect absorption with single-sided illumination, even for single-pass material absorption rates less than 0.5% and without back-reflection mirrors. Our work provides new design principles for achieving highly directional radiation and perfect absorption in photonics.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design

Grain boundary segregation provides a method for stabilization of nanocrystalline metals—an alloying element that will segregate to the boundaries can lower the grain boundary energy, attenuating the driving force for grain growth. The segregation strength relative to the mixing enthalpy of a binary system determines the propensity for segregation stabilization. This relationship has been codified for the design space of positive enthalpy alloys; unfortunately, quantitative values for the grain boundary segregation enthalpy exist in only very few material systems, hampering the prospect of nanocrystalline alloy design. We present a Miedema-type model for estimation of grain boundary segregation enthalpy, with which potential nanocrystalline phase-forming alloys can be rapidly screened. Calculations of the necessary enthalpies are made for ~2500 alloys and used to make predictions about nanocrystalline stability.

36 MATERIALS SCIENCE↗
DOE OSTI2017

From Ion Current to Electroosmotic Flow Rectification in Asymmetric Nanopore Membranes

Asymmetrically shaped nanopores have been shown to rectify the ionic current flowing through pores in a fashion similar to a p-n junction in a solid-state diode. Such asymmetric nanopores include conical pores in polymeric membranes and pyramidal pores in mica membranes. We review here both theoretical and experimental aspects of this ion current rectification phenomenon. A simple intuitive model for rectification, stemming from previously published more quantitative models, is discussed. We also review experimental results on controlling the extent and sign of rectification. It was shown that ion current rectification produces a related rectification of electroosmotic flow (EOF) through asymmetric pore membranes. We review results that show how to measure and modulate this EOF rectification phenomenon. Finally, EOF rectification led to the development of an electroosmotic pump that works under alternating current (AC), as opposed to the currently available direct current EOF pumps.Furthermore experimental results on AC EOF rectification are reviewed, and advantages of using AC to drive EOF are discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Misfit layered Ca{sub 3}Co{sub 4}O{sub 9} as a high figure of merit p-type transparent conducting oxide film through solution processing

Ca{sub 3}Co{sub 4}O{sub 9} thin films synthesized through solution processing are shown to be high-performing, p-type transparent conducting oxides (TCOs). The synthesis method is a cost-effective and scalable process that consists of sol-gel chemistry, spin coating, and heat treatments. The process parameters can be varied to produce TCO thin films with sheet resistance as low as 5.7 kΩ/sq (ρ ≈ 57 mΩ cm) or with average visible range transparency as high as 67%. The most conductive Ca{sub 3}Co{sub 4}O{sub 9} TCO thin film has near infrared region optical transmission as high as 85%. The figure of merit (FOM) for the top-performing Ca{sub 3}Co{sub 4}O{sub 9} thin film (151 MΩ{sup −1}) is higher than FOM values reported in the literature for all other solution processed, p-type TCO thin films and higher than most others prepared by physical vapor deposition and chemical vapor deposition. Transparent conductivity in misfit layered oxides presents new opportunities for TCO compositions.

36 MATERIALS SCIENCE↗