Evidence map›Paper›PMID 26754622›Full record

ArticleScientific reports2016

Ab initio molecular dynamic study of solid-state transitions of ammonium nitrate.

Hongyu Yu, Defang Duan, Hanyu Liu, Ting Yang, Fubo Tian, Kuo Bao, Da Li, Zhonglong Zhao, Bingbing Liu, Tian Cui

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Scientific reports, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

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5 · Who and what money

Authors and funding

10 authors.

Hongyu YuState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Defang DuanState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Hanyu LiuDepartment of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, S7N 5E2, Canada.
Ting YangState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Fubo TianState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Kuo BaoState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Da LiState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Zhonglong ZhaoState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Bingbing LiuState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.
Tian CuiState key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

High-pressure polymorphism and phase transitions have wide ranging consequences on the basic properties of ammonium nitrate. However, the phase diagram of ammonium nitrate at high pressure and high temperature is still under debate. This study systematically investigates the phase transitions and structural properties of ammonium nitrate at a pressure range of 5-60 GPa and temperature range of 250-400 K by ab initio molecular dynamics simulations. Two new phases are identified: one corresponds to the experimentally observed phase IV' and the other is named AN-X. Simultaneously, the lattice strains play a significant role in the formation and stabilization of phase IV', providing a reasonable explanation for experimental observation of phase IV-IV' transition which only appears under nonhydrostatic pressure. In addition, 12 O atoms neighboring the NH (N atom in ammonium cation) atom are selected as reference system to clearly display the tanglesome rotation of ammonium cation.

Identifiers

PMID26754622
PMCPMC4709593

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