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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Pulsed laser deposition of single layer, hexagonal boron nitride (white graphene, h-BN) on fiber-oriented Ag(111)/SrTiO{sub 3}(001)

We report on the growth of 1–10 ML films of hexagonal boron nitride (h-BN), also known as white graphene, on fiber-oriented Ag buffer films on SrTiO{sub 3}(001) by pulsed laser deposition. The Ag buffer films of 40 nm thickness were used as substitutes for expensive single crystal metallic substrates. In-situ, reflection high-energy electron diffraction was used to monitor the surface structure of the Ag films and to observe the formation of the characteristic h-BN diffraction pattern. Further evidence of the growth of h-BN was provided by attenuated total reflectance spectroscopy, which showed the characteristic h-BN peaks at ∼780 cm{sup −1} and 1367.4 cm{sup −1}. Ex-situ photoelectron spectroscopy showed that the surface of the h-BN films is stoichiometric. The physical structure of the films was confirmed by scanning electron microscopy. The h-BN films grew as large, sub-millimeter sheets with nano- and micro-sheets scattered on the surface. The h-BN sheets can be exfoliated by the micromechanical adhesive tape method. Spectral analysis was performed by energy dispersive spectroscopy in order to identify the h-BN sheets after exfoliation. The use of thin film Ag allows for reduced use of Ag and makes it possible to adjust the surface morphology of the thin film prior to h-BN growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spin glass in semiconducting KFe 1.05 Ag 0.88 Te 2 single crystals

We report discovery of KFe 1.05 Ag 0.88 Te 2 single crystals with semiconducting spin glass ground state. Composition and structure analysis suggest nearly stoichiometric I4/mmm space group but allow for the existence of vacancies, absent in long range semiconducting antiferromagnet KFe 1.05 Ag 0.88 Te 2 . The subtle change in stoichometry in Fe/Ag sublattice changes magnetic ground state but not conductivity, giving further insight into the semiconducting gap mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Silver (Ag) Transport Mechanisms in TRISO Coated Particles: A Critical Review

Transport of 110mAg in the intact SiC layer of TRISO coated particles has been studied for approximately 30 years without arriving at a satisfactory explanation of the transport mechanism. In this paper the possible mechanisms postulated in previous experimental studies, both in-reactor and out-of reactor research environment studies are critically reviewed and of particular interest are relevance to very high temperature gas reactor operating and accident conditions. Among the factors thought to influence Ag transport are grain boundary stoichiometry, SiC grain size and shape, the presence of free silicon, nano-cracks, thermal decomposition, palladium attack, transmutation products, layer thinning and coated particle shape. Additionally new insight to nature and location of fission products has been gained via recent post irradiation electron microscopy examination of TRISO coated particles from the DOE’s fuel development program. The combined effect of critical review and new analyses indicates a direction for investigating possible the Ag transport mechanism including the confidence level with which these mechanisms may be experimentally verified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Silk Flexible Electronics: From Bombyx mori Silk Ag Nanoclusters Hybrid Materials to Mesoscopic Memristors and Synaptic Emulators

Functionalization of flexible materials based on mesoscopic reconstruction is a key strategy in fabricating biocompatible flexible electronics. This work is to acquire new mesoscopic bioelectronic hybrid materials of silk fibroin (SF)-Ag nanoclusters (AgNCs@BSA; BSA: bovine serum albumin), which enhance significantly the performance of silk memristors. It is to build AgNCs@BSA into SF mesoscopic networks by templated ß-crystallization. Atomic force microscopy potential probing indicates that AgNCs@BSA serve as electronic potential wells that change completely the transport behavior of charge particles within the SF films. This leads to significant enhancement in the switching speed (˜10 ns), very good switching stability, extremely low set/reset voltages (0.3/-0.18 V) of SF meso-hybrid memristors, compared with the original and other organic memristors, and displays unique synapse characteristics and the capability of synapse learning. Classical density functional theory Poisson–Nernst–Planck simulations indicate that the enhanced performance is subject to the low potential paths interconnecting the AgNCs@BSA, which guide charges' transport (Ag+) and deposition in SF films.

Shi, Chenyang↗
DOE OSTI2021

Crystal Structure of Colloidally Prepared Metastable Ag 2 Se Nanocrystals

Structural polymorphism is known for many bulk materials; however, on the nanoscale metastable polymorphs tend to form more readily than in the bulk, and with more structural variety. One such metastable polymorph observed for colloidal Ag 2 Se nanocrystals has traditionally been referred to as the “tetragonal” phase. While there are reports on the chemistry and properties of this metastable polymorph, its crystal structure, and therefore electronic structure, has yet to be determined. We report that an anti-PbCl 2 -like structure type (space group P2 1 /n) more accurately describes the powder X-ray diffraction and X-ray total scattering patterns of colloidal Ag 2 Se nanocrystals prepared by several different methods. Density functional theory (DFT) calculations indicate that this anti-PbCl 2 -like Ag 2 Se polymorph is a dynamically stable, narrow-band-gap semiconductor. Here, the anti-PbCl 2 -like structure of Ag 2 Se is a low-lying metastable polymorph at 5–25 meV/atom above the ground state, depending on the exchange-correlation functional used.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Charge Transport Modulation in PbSe Nanocrystal Solids by Au x Ag 1– x Nanoparticle Doping

Nanocrystal (NC) solids are an exciting class of materials, whose physical properties are tunable by choice of the NCs as well as the strength of the interparticle coupling. One can consider these NCs as “artificial atoms” in analogy to the formation of condensed matter from atoms. Akin to atomic doping, the doping of a semiconducting NC solid with impurity NCs can drastically alter its electronic properties. A high degree of complexity is possible in these artificial structures by adjusting the size, shape, and composition of the building blocks, which enables “designer” materials with targeted properties. Here, we present the doping of the PbSe NC solids with a series of Au x Ag 1–x alloy nanoparticles (NPs). A combination of temperature-dependent electrical conductance and Seebeck coefficient measurements and room-temperature Hall effect measurements demonstrates that the incorporation of metal NPs both modifies the charge carrier density of the NC solids and introduces energy barriers for charge transport. These studies point to charge carrier injection from the metal NPs into the PbSe NC matrix. The charge carrier density and charge transport dynamics in the doped NC solids are adjustable in a wide range by employing the Au x Ag 1–x NP with different Au:Ag ratio as dopants. Furthermore, this doping strategy could be of great interest for thermoelectric applications taking advantage of the energy filtering effect introduced by the metal NPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Surfactant role of Ag atoms in the growth of Si layers on Si(111)√3×√3-Ag substrates

The growth of Si layers on Si(111)√3×√3-Ag substrates was studied for coverages of up to a few mono-layers. Atomically flat islands were observed to nucleate in the growth at 570 K. The top surfaces of the islands were covered in Ag atoms and exhibited a √3×√3 reconstruction with the same surface state dispersions as Si(111)√3×√3-Ag substrates. These results indicate that the Ag atoms on the substrate always hop up to the top of the Si layers.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Rate Dependent Multi-Mechanism Discharge of Ag 0.50 VOP 4 ·1.8H 2 O: Insights from In Situ Energy Dispersive X-ray Diffraction

Ag 0.50 VOPO 4 ·1.8H 2 O (silver vanadium phosphate, SVOP) demonstrates a counterintuitive higher initial loaded voltage under higher discharge current. Energy dispersive X-ray diffraction (EDXRD) from synchrotron radiation was used to create tomographic profiles of cathodes at various depths of discharge for two discharge rates. SVOP displays two reduction mechanisms, reduction of a vanadium center accompanied by lithiation of the structure, or reduction-displacement of a silver cation to form silver metal. In-situ EDXRD provides the opportunity to observe spatially resolved changes to the parent SVOP crystal and formation of Ag 0 during reduction. At a C/170 discharge rate V 5+ reduction is the preferred initial reaction resulting in higher initial loaded voltage. At a discharge rate of C/400 reduction of Ag + with formation of conductive Ag 0 occurs earlier during discharge. Discharge rate also affects the spatial location of reduction products. The faster discharge rate initiates reduction close to the current collector with non-uniform distribution of silver metal resulting in isolated cathode areas. The slower rate develops a more homogenous distribution of reduced SVOP and silver metal. This study illuminates the roles of electronic and ionic conductivity limitations within a cathode at the mesoscale and how they impact the course of reduction processes and loaded voltage.

25 ENERGY STORAGE↗
DOE OSTI2023

Temperature-Dependent Sheet and Contact Resistivity Measurements on Ag and Ag-Ni Circuit Pastes

The metal circuits and brazes used in electronic, energy conversion, and/or energy storage devices often have difficulty wetting and adhering to ceramic and/or ceramic-passivated metal substrates. Here, a novel Particle Interlayer Directed Wetting and Spreading (PIDWAS) technique is demonstrated that utilizes screen printing, the low wetting angle of silver on nickel, and the high work of adhesion between nickel and various ceramics to produce well-adhered, self-assembled silver patterns on ceramic and/or stainless-steel substrates not normally wet by silver. The resulting Ag-Ni circuits have higher sapphire adhesion strengths (up to 30 MPa on sapphire), higher densities (>97% on sapphire), and similar high-temperature electronic resistivities to those made using commercially-available Heraeus C8710 or DAD-87 silver circuit pastes. Similarly, Ag-Ni brazes between a variety of ceramic and/or stainless-steel substrates have better microstructural stability with rapid thermal cycling, reduction-oxidation cycling, and dual atmosphere isothermal aging than conventional Ag-CuO brazes. In addition, the residual Ni in these Ag-Ni circuits and brazes can be used to chemically getter surface segregated Al, ensuring low contact resistances on a variety of chromia- and/or alumina-passivated stainless steels. Reference: [1] Hu G, Zhou Q, Bhatlawande A, Park J, Termuhlen R, Ma Y, Bieler TR, Yu HC, Qi Y, Hogan T & Nicholas JD. Patterned Nickel Interlayers for Enhanced Silver Wetting, Spreading and Adhesion on Ceramic Substrates. Scripta Materialia, 2021; 196, 113767. 10.1016/j.scriptamat.2021.113767 [2] Park J, Phongpreecha T, Nicholas JD & Qi Y. Enhanced Liquid Metal Wetting on Oxide Surfaces via Patterned Particles. Acta Materialia, 2020; 199, 551-560. 10.1016/j.actamat.2020.08.037

Bhatlawande, Aishwarya↗
DOE OSTI2019

Machine Learning Prediction of H Adsorption Energies on Ag Alloys

Adsorption energies on surfaces are excellent descriptors of their chemical properties, including their catalytic performance. This has prompted a significant amount of work towards efficiently predicting adsorption energies without performing expensive quantum chemical calculations, based on semi-empirical or data scientific models. Here, we develop machine learning models to predict H adsorption energies on stepped Ag surface alloys using a database of energies obtained from first-principles electronic structure calculations based on density functional theory. Starting with a simple model and iteratively refining the features extracted from the calculations, we determine the key characteristics of successful models, and reduce the number of features required for accurate prediction of the adsorption energy. We find that nonlinear models are essential for accurate predictions. Moreover, detailed comparison of model predictions and calculations reveal a counterintuitive "selfpassivation" induced by some alloying elements, as well as unexpected discontinuous electronic structure effects. These findings are rationalized using tight-binding model hamiltonians and by analyzing the electronic density of states. Lastly, we show that we can estimate the reliability of a particular prediction, mitigating the effects of errors in the small fraction of cases where these errors are significant.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Levels in 125 Cd populated by the β decay of 125 m Ag and 125 Ag

Here, the β decay of 125 m, 125 Ag into levels in 125 Cd was investigated at the Holifield Radioactive Ion Beam Facility (HRIBF). Uranium-238 targets were bombarded with 50-MeV protons with an intensity of 15 μ A, and the induced fission products were mass separated and deposited on a moving tape in the center of the VANDLE array consisting of γ detectors and plastic scintillators. A partial decay scheme has been assigned for both β decay of the (9/2 + ) ground state of 125 Ag and its low-lying (1/2 - ) isomer, with the energy of the low-lying (11/2 - ) isomeric state in 125 Cd assigned as 188.5 keV. In addition, β -delayed neutron emission probabilities were also determined to be 1.2(2)% for the (9/2 + ) 125 Ag ground state and 4.6(10)% for the (1/2 - ) isomer, which are substantially lower than the previously reported value.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1971

Heterogeneous nucleation of gamma prime in Al-Ag and Al-Ag /Cd or Cu/ alloys.

Results of transmission electron microscopy studies of heterogeneous nucleation of the metastable gamma prime phase were made in binary and ternary alloys of Al-5 at. % Ag, Al-4.8 at. % Ag-0.15 at. % Cd, and Al-4.8 at. % Ag-0.2 at. % Cu. Heterogeneous nucleation of gamma prime was found to be associated with four types of dislocations, regardless of the quenching treatment or alloy additions which were used. Nucleation was found to occur on: (a) jogged dislocations; (b) helical dislocations; (c) dislocation loops; (d) heterogeneous climb sources. Only one nucleation mechanism was found to be unique to the ternary alloys: that of nucleation on heterogeneous climb sources.

Passoja, D. E.↗