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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 91 records · Page 5

Interplay between Short and Long-Ranged Forces Leading to the Formation of Ag Nanoparticle Superlattice

Nanoparticle (NP) superlattices have attracted increasing attention due to their unique properties. However, key questions remain for predicting the nanoparticle behavior from interparticle forces, especially the role of hydration force (Fhyd) and its correlation to other forces, regarding the transient and final superlattice configurations. Here we investigated the self-assembly of Ag NPs in aqueous solution by employing in situ liquid cell transmission electron microscopy, combined with atomic force microscopy based force measurements and theoretical calculations. In spite of instantaneous Brownian motion of NPs, a correlation between velocity and van der Waals force (FvdW) on average was observed during the later self-assembly process. In the post-assembly state, a delicate balance between Fhyd and FvdW gives rise to ~ 0.6~0.9 nm separation be-tween NPs in the superlattice. Our study demonstrates pivotal roles of interparticle forces, enabling the control of the separation which is critical for tailoring the properties of superlattices.

Lee, Jaewon↗

Real-Time Ab Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au + Ag on Ag(100)

Far-from-equilibrium shape and structure evolution during formation and post-assembly sintering of bimetallic nanoclusters is extremely sensitive to the periphery diffusion and intermixing kinetics. Precise characterization of the many distinct local-environment-dependent diffusion barriers is achieved for epitaxial nanoclusters using density functional theory to assess interaction energies both with atoms at adsorption sites and at transition states. Kinetic Monte Carlo simulation incorporating these barriers then captures structure evolution on the appropriate time scale for two-dimensional core-ring and intermixed Au-Ag nanoclusters on Ag(100).

36 MATERIALS SCIENCE↗

Robust Ag nanoplate ink for flexible electronics packaging

Nanoinks are currently a topic of heightened interest with respect to low temperature bonding processes and printable electronics. We have developed an innovative polyvinylpyrrolidone (PVP)-stabilized Ag nanoplate ink amenable to very strong low temperature packaging, and investigated the relationship between bonding strength and electrical conductivity post-bonding. PVP shell plastic deformations observed in failure microcracks with the formation of PVP nanofibers, revealed bonding strength at low temperatures (<250 °C) was primarily due to adhesive bonding. Here, it is found that, utilizing photonic sintering, ~70 °C reduction of transformation temperature from adhesive to metallic bonding was achieved compared to that of thermal sintering. A numerical simulation was developed to better understand the influences of the light-induced heat generation, which demonstrated near-infrared light can facilitate sintering. Bonding strengths of 27 MPa were achieved at room temperatures, and 29.4 MPa at 210 °C with photonic sintering. Moreover, the anisotropic resistivity was observed with different thermal dependences. Furthermore, these results demonstrate Ag nanoplate inks have potential for low temperature 3D interconnections in lead-free microcircuits, flexible electronic packaging, and diverse sensing applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Electrochemical Reduction of Ag 2 VP 2 O 8 Composite Electrodes Visualized via In situ Energy Dispersive X-ray Diffraction (EDXRD). Unexpected Conductive Additive Effects

In our study, we characterize the deposition of silver metal nanoparticles formed during discharge of Li/Ag 2 VP 2 O 8 cells with composite cathodes containing conductive carbon additive. Using in situ energy dispersive X-ray diffraction (EDXRD) of an intact battery, the location and distribution of silver metal nanoparticles generated upon reduction-displacement deposition within an Ag 2 VP 2 O 8 cathode containing a pre-existing percolation network can be observed for the first time. Our study yielded unexpected results where higher rate initial discharge generated a more effective conductive matrix. This stands in contrast to cells with cathodes with no conductive additive where a low rate initial discharge proved more effective. Our results provide evidence that using conductive additives in conjunction with an in situ reduction-displacement deposition of silver metal provides a path toward the ultimate goal of complete electrical contact and full utilization of all electroactive particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Communication: Structure, formation, and equilibration of ensembles of Ag-S complexes on an Ag surface

We have utilized conditions of very low temperature (4.7 K) and very low sulfur coverage to isolate and identify Ag-S complexes that exist on the Ag(111) surface. The experimental conditions are such that the complexes form at temperatures above the temperature of observation. These complexes can be regarded as polymeric chains of varying length, with an Ag4S pyramid at the core of each monomeric unit. Steps may catalyze the formation of the chains and this mechanism may be reflected in the chain length distribution.

36 MATERIALS SCIENCE↗

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↗

Half-life determination for {sup 108}Ag and {sup 110}Ag

In this work, the half-life of the short-lived silver radionuclides {sup 108}Ag and {sup 110}Ag were measured by following the activity of samples after they were irradiated in the IEA-R1 reactor. The results were then fitted using a non-paralizable dead time correction to the regular exponential decay and the individual half-life values obtained were then analyzed using both the Normalized Residuals and the Rajeval techniques, in order to reach the most exact and precise final values. To check the validity of dead-time correction, a second correction method was also employed by means of counting a long-lived {sup 60}Co radioactive source together with the samples as a livetime chronometer. The final half-live values obtained using both dead-time correction methods were in good agreement, showing that the correction was properly assessed. The results obtained are partially compatible with the literature values, but with a lower uncertainty, and allow a discussion on the last ENSDF compilations' values.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Optical Characterization of Defects in High-Efficiency (Ag,Cu)(In,Ga)Se2

We applied time-resolved photoluminescence (TRPL) spectroscopy to study optimized chalcopyrite (Ag,Cu)(In,Ga)Se2 thin films. The device shows power conversion efficiency of 18.7%. The metastable defect VSe-VCu within ACIGS at EV+0.98 eV is detected in sub-bandgap TRPL excitation spectra. TRPL lifetime of 50 ns is limited by the density of mid-gap defects such as CuGa or CuIn. The similarity of TRPL dynamics before and after light soaking indicates the optimized ACIGS thin film is less metastable because the density of VCu-VSe defect is reduced to below 10^15 cm^-3. This study indicates that ACIGS has improved cell efficiency and reliability characteristics.

41 EE - Solar Energy Technologies Office (EE-4S)↗

The Effect of the Deformation Parameter on the Cross Sections for Reactions: {sup 110}Pd(d,n){sup 111}Ag and {sup 110}Pd(d, 2n){sup 110m}Ag

In this study, we focused on the effects of the deformation parameter on the cross sections. First, the deformation parameters of target nucleus {sup 110}Pd was determined within the interacting boson model (IBM). Later this parameter was used in the TALYS-1.8 code to calculate the cross sections of the {sup 110}Pd(d,n){sup 111}Ag and {sup 110}Pd(d, 2n){sup 110m}Ag reactions. Moreover, other deformation parameters obtained RIPL-3 and TALYS default were used for the cross section calculation. The calculated results were compared with the experimental nuclear reaction data from EXFOR.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Long-Term Stability of Mullite and Magnesia-encased Ag|Ag + Reference Electrodes in Molten MgCl 2 -KCl-NaCl

In this study, the stability of Ag|Ag + molten chloride reference electrodes was studied using mullite and magnesia tubes as reference electrode membrane materials in molten MgCl 2 -KCl-NaCl for continuous immersion up to 31 d. Two electrochemical methods were used to characterize the long-term performance of the reference electrodes at 500 °C in an inert atmosphere using a Mg rod as the working electrode: open circuit potential (OCP) and onset of Mg(II) reduction as measured by cyclic voltammetry (CV). There was only a 3% difference between the average OCP measured versus the mullite and MgO reference electrodes. Potential drift was higher for mullite (−1.34 mV d −1 ) than MgO (0.22 mV d −1 ). But both drift rates were very low compared to the OCP data standard deviation, indicating that no significant drift was measured for us to 31 d.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of the early stages of condensation of Cu and Ag on Mo/100/ with Cu and Ag on W/100/

The adsorption and condensation of Cu and Ag, up to several monolayers in thickness, onto Mo(100) has been observed at pressures below 2 times 10 to the -10th torr in a study that used combined LEED, Auger, TDS (Thermal Desorption Spectroscopy), and work function measurements in a single experimental setup. The results show that Cu behaves similarly on Mo(100) and W(100) substrates, while some differences are found for Ag adsorption.

Soria, F.↗

Thermal stability of partially ordered Fe{sub 16}N{sub 2} film on non-magnetic Ag under layer

Partially ordered Fe{sub 16}N{sub 2} thin film with (001) texture is successfully grown on a Ag under layer using a facing target sputtering system. Fe{sub 16}N{sub 2} phase is formed after post-annealing, which is detected by X-ray diffraction (XRD). High saturation magnetization (M{sub s}) of Fe{sub 16}N{sub 2} thin films is observed by vibrating sample magnetometry. It is found that Fe{sub 16}N{sub 2} phase can be stable up to 225 °C, which is demonstrated by the Fe{sub 16}N{sub 2} finger print peak (002) in XRD. After heating to 250 °C, the Fe{sub 16}N{sub 2} phase decomposes, which leads to low M{sub s} and soft magnetic behavior. To further study Fe{sub 16}N{sub 2} decomposition, X-ray photoelectron spectroscopy is performed to detect the binding energy of nitrogen atoms. Differences of binding energy corresponding to before and after heat treatment show the variation of nitrogen atom in electronic state with surrounding Fe atoms, indicating nitrogen atomic migration during heat treatment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗