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All sources NASA NTRS DOE OSTI

DOE OSTI2018

Nuclear Data Sheets for A=170☆

Nuclear structure data pertaining to all nuclei with mass number A=170 have been evaluated, and incorporated into the ENSDF data file. This evaluation supersedes the previous evaluation (Coral M. Baglin), Nuclear Data Sheets 96, 611 (2002), (cutoff date 15 August 2002) and subsequent updates of the ENSDF file for Yb to Dy (cutoff 15 April 2010), Lu (cutoff 8 October 1998), Pt (cutoff 17 February 1999) and Ta, Os (cutoff 7 April 1998). Since the previous evaluation, {sup 170}Gd has been observed and the ground state T{sub 1/2} measured. New excited states have also been observed in the neutron rich {sup 170}Dy. The ground state T{sub 1/2} of {sup 170}Tb has been determined, however, there are currently still no excited states observed in this nucleus. There remains some uncertainty in the ground state and longer-lived isomer in {sup 170}Ir which could warrent further experimental investigation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

SU-E-I-67: X-Ray Fluorescence for Energy Response Calibration of a Photon Counting Detector: A Simulation Study

Purpose: To investigate the feasibility of energy calibration and energy response characterization of a photon counting detector using x-ray fluorescence. Methods: A comprehensive Monte Carlo simulation study was done to investigate the influence of various geometric components on the x-ray fluorescence measurement. Different materials, sizes, and detection angles were simulated using Geant4 Application for Tomographic Emission (GATE) Monte Carlo package. Simulations were conducted using 100 kVp tungsten-anode spectra with 2 mm Al filter for a single pixel cadmium telluride (CdTe) detector with 3 × 3 mm2 in detection area. The fluorescence material was placed 300 mm away from both the x-ray source and the detector. For angular dependence measurement, the distance was decreased to 30 mm to reduce the simulation time. Compound materials, containing silver, barium, gadolinium, hafnium, and gold in cylindrical shape, were simulated. The object size varied from 5 to 100 mm in diameter. The angular dependence of fluorescence and scatter were simulated from 20° to 170° with an incremental step of 10° to optimize the fluorescence to scatter ratio. Furthermore, the angular dependence was also experimentally measured using a spectrometer (X-123CdTe, Amptek Inc., MA) to validate the simulation results. Results: The detection angle between 120° to 160° resulted in more optimal x-ray fluorescence to scatter ratio. At a detection angle of 120°, the object size did not have a significant effect on the fluorescence to scatter ratio. The experimental results of fluorescence angular dependence are in good agreement with the simulation results. The Kα and Kβ peaks of five materials could be identified. Conclusion: The simulation results show that the x-ray fluorescence procedure has the potential to be used for detector energy calibration and detector response characteristics by using the optimal system geometry.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Mechanism of the Comonomer Effect in LLDPE from Ethylene/1-Hexene Using a Quinoline-Amine Hafnium Catalyst

Polymers of ethylene and copolymers of ethylene and 1-hexene are synthesized by utilizing a single-site hafnium catalyst activated with tris(pentafluorophenyl)borane. Polymer production increases sharply as compared to the homopolymerization of ethylene with the addition of just a small amount of 1-hexene-a phenomenon known as the "comonomer effect." A mechanism behind the comonomer effect is proposed where the activation-initiation step plays the key part. When only a small fraction of the precatalyst is initially active, high molecular weight (170 000 g mol -1 , Đ 1.6) polymer chains grow, forming a physical gel structure that traps catalyst, monomer, and solvent molecules, thereby shutting down the reaction-this scenario plays out in the case of homopolymerization of ethylene. 1-Hexene, when present, slows down the chain growth, thereby lowering the molecular weight and preventing the formation of a gel, which in turn allows for more catalytic sites to be initiated; the reaction continues, resulting in a larger amount of polymer of lower molecular weight (25 000 g mol -1 ). The proposed mechanism is validated in a series of experiments where targeted variation of the activation/initiation steps is shown to produce, depending on the condition, either a small amount of high molecular weight physical gel or a large amount of low molecular weight polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Artificial Solid Electrolyte Interphase for Suppressing Surface Reactions and Cathode Dissolution in Aqueous Zinc Ion Batteries

Vanadium-based compounds have been widely used as electrode materials in aqueous zinc ion batteries (ZIBs) due to the multiple oxidation states of vanadium and their open framework structure. However, the solubility of vanadium in aqueous electrolytes and the formation of byproducts during the charge/discharge process cause severe capacity fading and limit cycle life. Here in this paper, we report an ultrathin HfO 2 film as an artificial solid electrolyte interphase (SEI) that is uniformly and conformally deposited by atomic layer deposition (ALD). The inactive hafnium(IV) oxide (HfO 2 ) film not only decreases byproduct (Zn 4 SO 4 (OH) 6 ·xH 2 O) formation on the surface of Zn 3 V 2 O 7 (OH) 2 ·2H 2 O (ZVO) but also suppresses the ZVO cathode dissolution in the electrolyte. As a result, the obtained HfO 2 -coated ZVO cathodes deliver higher capacity and better cycle life (227 mAh g –1 @100 mA g –1 , 90% retention over 100 cycles) compared with pristine ZVO (170 mAh g –1 @100 mA g –1 , 45% retention over 100 cycles). A mechanistic investigation of the role of HfO 2 is presented, along with data showing that our method constitutes a general strategy for other cathodes to enhance their performance in aqueous ZIBs.

25 ENERGY STORAGE↗

DOE OSTI2014

Electron mobility calculation for graphene on substrates

By a semiclassical Monte Carlo method, the electron mobility in graphene is calculated for three different substrates: SiO{sub 2}, HfO{sub 2}, and hexagonal boron nitride (h-BN). The calculations account for polar and non-polar surface optical phonon (OP) scatterings induced by the substrates and charged impurity (CI) scattering, in addition to intrinsic phonon scattering in pristine graphene. It is found that HfO{sub 2} is unsuitable as a substrate, because the surface OP scattering of the substrate significantly degrades the electron mobility. The mobility on the SiO{sub 2} and h-BN substrates decreases due to CI scattering. However, the mobility on the h-BN substrate exhibits a high electron mobility of 170 000 cm{sup 2}/(V·s) for electron densities less than 10{sup 12 }cm{sup −2}. Therefore, h-BN should be an appealing substrate for graphene devices, as confirmed experimentally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Ferromagnetism in ZrFe12-xAlx and HfFe12-xAlx (x = 6.0, 6,.5, 7.0)

Results of crystal structure, microstructure, and magnetic properties studies of arcmelted and annealed ZrFe{sub 6}Al{sub 6}, ZrFe{sub 5.5}Al{sub 6.5}, ZrFe{sub 5}Al{sub 7}, HfFe{sub 6}Al{sub 6}, HfFe{sub 5.5}Al{sub 6.5}, and HfFe{sub 5}Al{sub 7} are reported. These compounds adopt the ThMn12 structure-type (space group 139, I4/mmm), like their more common rare-earth analogues. Analysis of powder x-ray diffraction data show that the 8f site is occupied by Fe, the 8i site by Al, and the 8j site by a mixture of Fe and Al. All of the compounds undergo a ferromagnetic transition at temperatures ranging from 170 to 270 K. Three effects on the magnetic properties are noted as the Fe content is increased: decrease in the Curie temperature, decrease in the magnetic moment per Fe at high fields, and the development of non-monotonic temperature dependence of the low-field magnetization below the Curie temperature. First principles calculations indicate a ferromagnetic ground state, but find antiferromagnetic interactions among Fe moments on 8j sites which is likely important in understanding the observed behavior.

36 MATERIALS SCIENCE↗