Effects of pressure on the structure and lattice dynamics of ammonium perchlorate: A combined experimental and theoretical study

Kroonblawd, Matthew P.; Koroglu, Batikan; Zaug, Joseph M.; Pagoria, Philip F.; Goldman, Nir; Greenberg, Eran; Prakapenka, Vitali B.; Kunz, Martin; Bastea, Sorin; Stavrou, Elissaios

doi:10.1063/1.5030713

Title: Effects of pressure on the structure and lattice dynamics of ammonium perchlorate: A combined experimental and theoretical study

Journal Article · Sat Jul 21 00:00:00 EDT 2018 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5030713· OSTI ID:1461686

Kroonblawd, Matthew P. ^[1]; Koroglu, Batikan ^[1];

^[1]; Pagoria, Philip F. ^[1];

^[1];

^[2]; Prakapenka, Vitali B. ^[2];

^[3]; Bastea, Sorin ^[1]; Stavrou, Elissaios ^[1]

Lawrence Livermore National Laboratory, Physical and Life Sciences Directorate, P.O. Box 808, Livermore, California 94550, USA
Center for Advanced Radiation Sources, University of Chicago, Chicago, Illinois 60637, USA
Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DODDOE - OTHER

OSTI ID:: 1461686

Journal Information:: Journal of Chemical Physics, Vol. 149, Issue 3; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: ENGLISH

References (36)

A three-dimensional X-ray redetermination of the crystal structure of ammonium perchlorate Peyronel, G.; Pignedoli, A. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 31, Issue 8 https://doi.org/10.1107/s0567740875006838	journal	August 1975
Equations of state of anhydrous AlF3 and AlI3: Modeling of extreme condition halide chemistry Stavrou, Elissaios; Zaug, Joseph M.; Bastea, Sorin The Journal of Chemical Physics, Vol. 142, Issue 21 https://doi.org/10.1063/1.4921896	journal	June 2015
Crystal structure of NH ₄ ClO ₄ at 298, 78, and 10 °K by neutron diffraction Choi, C. S.; Prask, H. J.; Prince, E. The Journal of Chemical Physics, Vol. 61, Issue 9 https://doi.org/10.1063/1.1682532	journal	November 1974
Combined Experimental and Computational Hydrostatic Compression Study of Crystalline Ammonium Perchlorate Hunter, Steven; Davidson, Alistair J.; Morrison, Carole A. The Journal of Physical Chemistry C, Vol. 115, Issue 38 https://doi.org/10.1021/jp2012599	journal	September 2011
First principles investigations of structural, electronic and elastic properties of ammonium perchlorate under high pressures Acta Physica Sinica, Vol. 65, Issue 12 https://doi.org/10.7498/aps.65.126102	journal	January 2016
The Crystal Structure of Barytes, Celestine and Anglesite James, R. W.; Wood, W. A. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 109, Issue 752 https://doi.org/10.1098/rspa.1925.0148	journal	December 1925
A universal equation of state for solids Vinet, P.; Ferrante, J.; Smith, J. R. Journal of Physics C: Solid State Physics, Vol. 19, Issue 20 https://doi.org/10.1088/0022-3719/19/20/001	journal	July 1986
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Pressure induced polymorphism in ammonium azide (NH4N3) Medvedev, S. A.; Eremets, M. I.; Evers, J. Chemical Physics, Vol. 386, Issue 1-3 https://doi.org/10.1016/j.chemphys.2011.05.017	journal	July 2011
High-pressure phase transition and phase diagram of gallium arsenide Besson, J. M.; Itié, J. P.; Polian, A. Physical Review B, Vol. 44, Issue 9 https://doi.org/10.1103/physrevb.44.4214	journal	September 1991
Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium Prakapenka, V. B.; Kubo, A.; Kuznetsov, A. High Pressure Research, Vol. 28, Issue 3 https://doi.org/10.1080/08957950802050718	journal	September 2008
Probing the different spatial scales of Kel F-800 polymeric glass under pressure Stavrou, Elissaios; Ahart, Muhtar; Mahmood, Mohammad F. Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep01290	journal	February 2013
Ruby under pressure Syassen, K. High Pressure Research, Vol. 28, Issue 2 https://doi.org/10.1080/08957950802235640	journal	June 2008
Phase diagram of ammonium perchlorate: Raman spectroscopic constrains at high pressures and temperatures Dunuwille, Mihindra; Yoo, Choong-Shik The Journal of Chemical Physics, Vol. 144, Issue 24 https://doi.org/10.1063/1.4953909	journal	June 2016
Vibrational spectra and the structure of pure vitreous $B_{2}$ $O_{3}$ Galeener, F. L.; Lucovsky, G.; Mikkelsen, J. C. Physical Review B, Vol. 22, Issue 8 https://doi.org/10.1103/physrevb.22.3983	journal	October 1980
Detonation velocity of highly dispersed ammonium perchlorate and its mixtures with explosive substances Kotomin, A. A.; Dushenok, S. A.; Ilyushin, M. A. Combustion, Explosion, and Shock Waves, Vol. 53, Issue 3 https://doi.org/10.1134/s0010508217030145	journal	May 2017
Structural Behavior of ZnCr ₂ S ₄ Spinel under Pressure Efthimiopoulos, I.; Lochbiler, T.; Tsurkan, V. The Journal of Physical Chemistry C, Vol. 121, Issue 1 https://doi.org/10.1021/acs.jpcc.6b11253	journal	December 2016
Detonation wave velocity and curvature of a plastic-bonded, nonideal explosive PBXN-111 as a function of diameter and confinement Forbes, J. W.; Lemar, E. R. Journal of Applied Physics, Vol. 84, Issue 12 https://doi.org/10.1063/1.369033	journal	December 1998
Structural Properties of Ammonium Perchlorate Compressed to 5.6 GPa Peiris, Suhithi M.; Pangilinan, G. I.; Russell, T. P. The Journal of Physical Chemistry A, Vol. 104, Issue 47 https://doi.org/10.1021/jp002168c	journal	November 2000
Thermal decomposition of ammonium perchlorate Boldyrev, V. V. Thermochimica Acta, Vol. 443, Issue 1 https://doi.org/10.1016/j.tca.2005.11.038	journal	April 2006
Phase transitions of cesium azide at pressures up to 30 GPa studied using in situ Raman spectroscopy Medvedev, S. A.; Barkalov, O. I.; Naumov, P. Journal of Applied Physics, Vol. 117, Issue 16 https://doi.org/10.1063/1.4918911	journal	April 2015
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations Stavrou, Elissaios; Riad Manaa, M.; Zaug, Joseph M. The Journal of Chemical Physics, Vol. 143, Issue 14 https://doi.org/10.1063/1.4932683	journal	October 2015
Effect of pressure on the structure and the electronic properties of LiClO4, NaClO4, KClO4, and NH4ClO4 Korabel’nikov, D. V.; Zhuravlev, Yu. N. Physics of the Solid State, Vol. 59, Issue 2 https://doi.org/10.1134/s1063783417020123	journal	February 2017
Temperature‐dependent Raman study of ammonium perchlorate single crystals: The orientational dynamics of the NH ⁺ ₄ ions and phase transitions Chakraborty, T.; Khatri, S. S.; Verma, A. L. The Journal of Chemical Physics, Vol. 84, Issue 12 https://doi.org/10.1063/1.450624	journal	June 1986
Explosive behaviour of ammonium perchlorate Price, Donna; Clairmont, A. R.; Jaffe, I. Combustion and Flame, Vol. 11, Issue 5 https://doi.org/10.1016/0010-2180(67)90062-4	journal	October 1967
High-pressure X-ray diffraction, Raman and computational studies of MgCl2 up to 1 Mbar: Extensive pressure stability of the β-MgCl2 layered structure Stavrou, Elissaios; Yao, Yansun; Zaug, Joseph M. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep30631	journal	August 2016
High temperature and high pressure equation of state of gold Matsui, Masanori Journal of Physics: Conference Series, Vol. 215 https://doi.org/10.1088/1742-6596/215/1/012197	journal	March 2010
Neutron diffraction study of ammonium perchlorate Smith, H. G.; Levy, H. A. Acta Crystallographica, Vol. 15, Issue 12 https://doi.org/10.1107/s0365110x62003205	journal	December 1962
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Comparative DFT and DFT-D studies on structural, electronic, vibrational and absorption properties of crystalline ammonium perchlorate Wu, Qiong; Li, Chuanlong; Tan, Linghua RSC Advances, Vol. 6, Issue 54 https://doi.org/10.1039/c6ra09743j	journal	January 2016
Spectroscopic Study of Shock-Induced Decomposition in Ammonium Perchlorate Single Crystals Gruzdkov, Y. A.; Winey, J. M.; Gupta, Y. M. The Journal of Physical Chemistry A, Vol. 112, Issue 17 https://doi.org/10.1021/jp711872u	journal	May 2008
Inhomogeneous Electron Gas Rajagopal, A. K.; Callaway, J. Physical Review B, Vol. 7, Issue 5 https://doi.org/10.1103/physrevb.7.1912	journal	March 1973
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020

Similar Records

Effects of pressure on the structure and lattice dynamics of ammonium perchlorate: A combined experimental and theoretical study

Journal Article · Wed Jul 18 00:00:00 EDT 2018 · Journal of Chemical Physics · OSTI ID:1461686

Kroonblawd, Matthew P.; Koroglu, Batikan; Zaug, Joseph M.; +7 more

Effects of pressure on the structure and lattice dynamics of [alpha]-glycine: a combined experimental and theoretical study

Journal Article · Wed Jul 31 00:00:00 EDT 2019 · Cryst. Eng. Comm. · OSTI ID:1461686

Hinton, Jasmine K.; Clarke, Samantha M.; Steele, Brad A.; +6 more

Effects of pressure on the structure and lattice dynamics of α-glycine: a combined experimental and theoretical study

Journal Article · Mon Jan 28 00:00:00 EST 2019 · CrystEngComm · OSTI ID:1461686

Hinton, Jasmine K.; Clarke, Samantha M.; Steele, Brad A.; +6 more

Title: Effects of pressure on the structure and lattice dynamics of ammonium perchlorate: A combined experimental and theoretical study

Citation Formats

References (36)

Similar Records

Related Subjects