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Title: Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1375271
Grant/Contract Number:
DOE-DE-NA0002847; SC0013365; SC0008511
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review C
Additional Journal Information:
Journal Volume: 96; Journal Issue: 2; Related Information: CHORUS Timestamp: 2017-08-16 09:02:35; Journal ID: ISSN 2469-9985
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Schuetrumpf, B., Nazarewicz, W., and Reinhard, P. -G.. Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach. United States: N. p., 2017. Web. doi:10.1103/PhysRevC.96.024306.
Schuetrumpf, B., Nazarewicz, W., & Reinhard, P. -G.. Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach. United States. doi:10.1103/PhysRevC.96.024306.
Schuetrumpf, B., Nazarewicz, W., and Reinhard, P. -G.. 2017. "Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach". United States. doi:10.1103/PhysRevC.96.024306.
@article{osti_1375271,
title = {Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach},
author = {Schuetrumpf, B. and Nazarewicz, W. and Reinhard, P. -G.},
abstractNote = {},
doi = {10.1103/PhysRevC.96.024306},
journal = {Physical Review C},
number = 2,
volume = 96,
place = {United States},
year = 2017,
month = 8
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on August 11, 2018
Publisher's Accepted Manuscript

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  • The influence of the central depression in the density distribution of spherical superheavy nuclei on the shell structure is studied within the relativistic mean-field theory. A large depression leads to the shell gaps at the proton Z=120 and neutron N=172 numbers, whereas a flatter density distribution favors N=184 and leads to the appearance of a Z=126 shell gap and to the decrease of the size of the Z=120 shell gap. The correlations between the magic shell gaps and the magnitude of the central depression are discussed for relativistic and nonrelativistic mean field theories.
  • The center-depressed nuclear charge distributions are investigated with the parametrized distribution and the relativistic mean-field theory, and their corresponding charge form factors are worked out with the phase shift analysis method. The central depression of nuclear charge distribution of {sup 46}Ar and {sup 44}S is supported by the relativistic mean-field calculation. According to the calculation, the valence protons in {sup 46}Ar and {sup 44}S prefer to occupy the 1d{sub 3/2} state rather than the 2s{sub 1/2} state, which is different from that in the less neutron-rich argon and sulfur isotopes. As a result, the central proton densities of {sup 46}Armore » and {sup 44}S are highly depressed, and so are their central charge densities. The charge form factors of some argon and sulfur isotopes are presented, and the minima of the charge form factors shift upward and inward when the central nuclear charge distributions are more depressed. Besides, the effect of the central depression on the charge form factors is studied with a parametrized distribution, when the root-mean-square charge radii remain constant.« less
  • Abstract not provided.
  • Here, the alloying mechanism of high-capacity tin anodes for sodium-ion batteries is investigated using a combined theoretical and experimental approach. Ab initio random structure searching (AIRSS) and high-throughput screening using a species-swap method provide insights into a range of possible sodium–tin structures. These structures are linked to experiments using both average and local structure probes in the form of operando pair distribution function analysis, X-ray diffraction, and 23Na solid-state nuclear magnetic resonance (ssNMR), along with ex situ 119Sn ssNMR. Through this approach, we propose structures for the previously unidentified crystalline and amorphous intermediates. The first electrochemical process of sodium insertionmore » into tin results in the conversion of crystalline tin into a layered structure consisting of mixed Na/Sn occupancy sites intercalated between planar hexagonal layers of Sn atoms (approximate stoichiometry NaSn 3). Following this, NaSn 2, which is predicted to be thermodynamically stable by AIRSS, forms; this contains hexagonal layers closely related to NaSn 3, but has no tin atoms between the layers. NaSn 2 is broken down into an amorphous phase of approximate composition Na 1.2Sn. Reverse Monte Carlo refinements of an ab initio molecular dynamics model of this phase show that the predominant tin connectivity is chains. Further reaction with sodium results in the formation of structures containing Sn–Sn dumbbells, which interconvert through a solid-solution mechanism. These structures are based upon Na 5–xSn 2, with increasing occupancy of one of its sodium sites commensurate with the amount of sodium added. ssNMR results indicate that the final product, Na 15Sn 4, can store additional sodium atoms as an off-stoichiometry compound (Na 15+xSn 4) in a manner similar to Li 15Si 4.« less