Light atom quantum oscillations in UC and US

Yiu, Yuen; Aczel, Adam A.; Granroth, Garrett E.; Abernathy, Douglas L.; Stone, Matthew B.; Buyers, W. J. L.; Lin, J. Y. Y.; Samolyuk, German D.; Stocks, George Malcolm; Nagler, Stephen E.

doi:10.1103/PhysRevB.93.014306

Title: Light atom quantum oscillations in UC and US

Abstract

High energy vibrational scattering in the binary systems UC and US is measured using time-of-flight inelastic neutron scattering. A clear set of well-defined peaks equally separated in energy is observed in UC, corresponding to harmonic oscillations of the light C atoms in a cage of heavy U atoms. The scattering is much weaker in US and only a few oscillator peaks are visible. We show how the difference between the materials can be understood by considering the neutron scattering lengths and masses of the lighter atoms. Monte Carlo ray tracing is used to simulate the scattering, with near quantitative agreement with the data in UC, and some differences with US. The possibility of observing anharmonicity and anisotropy in the potentials of the light atoms is investigated in UC. Lastly, the observed data is well accounted for by considering each light atom as a single atom isotropic quantum harmonic oscillator.

Authors:

Yiu, Yuen ^[1]; Aczel, Adam A. ^[2]; Granroth, Garrett E. ^[2]; Abernathy, Douglas L. ^[2]; Stone, Matthew B. ^[2]; Buyers, W. J. L. ^[3]; Lin, J. Y. Y. ^[4]; Samolyuk, German D. ^[2]; Stocks, George Malcolm ^[2]; Nagler, Stephen E. ^[2]

Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Canadian Nuclear Lab., Chalk River, ON (Canada)
California Institute of Technology (Caltech), Pasadena, CA (United States)

Publication Date:: 2016-01-19

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1235830

Alternate Identifier(s):: OSTI ID: 1235638

Grant/Contract Number:: AC05-00OR22725; FG02-08ER46528

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 93; Journal Issue: 1; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats


                    Yiu, Yuen, Aczel, Adam A., Granroth, Garrett E., Abernathy, Douglas L., Stone, Matthew B., Buyers, W. J. L., Lin, J. Y. Y., Samolyuk, German D., Stocks, George Malcolm, and Nagler, Stephen E. Light atom quantum oscillations in UC and US.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevB.93.014306.

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                    Yiu, Yuen, Aczel, Adam A., Granroth, Garrett E., Abernathy, Douglas L., Stone, Matthew B., Buyers, W. J. L., Lin, J. Y. Y., Samolyuk, German D., Stocks, George Malcolm, & Nagler, Stephen E. Light atom quantum oscillations in UC and US.  United States.  https://doi.org/10.1103/PhysRevB.93.014306

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                    Yiu, Yuen, Aczel, Adam A., Granroth, Garrett E., Abernathy, Douglas L., Stone, Matthew B., Buyers, W. J. L., Lin, J. Y. Y., Samolyuk, German D., Stocks, George Malcolm, and Nagler, Stephen E. Tue .  
"Light atom quantum oscillations in UC and US".  United States.  https://doi.org/10.1103/PhysRevB.93.014306.  https://www.osti.gov/servlets/purl/1235830.

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@article{osti_1235830,

  title        = {Light atom quantum oscillations in UC and US},

  author       = {Yiu, Yuen and Aczel, Adam A. and Granroth, Garrett E. and Abernathy, Douglas L. and Stone, Matthew B. and Buyers, W. J. L. and Lin, J. Y. Y. and Samolyuk, German D. and Stocks, George Malcolm and Nagler, Stephen E.},

  abstractNote = {High energy vibrational scattering in the binary systems UC and US is measured using time-of-flight inelastic neutron scattering. A clear set of well-defined peaks equally separated in energy is observed in UC, corresponding to harmonic oscillations of the light C atoms in a cage of heavy U atoms. The scattering is much weaker in US and only a few oscillator peaks are visible. We show how the difference between the materials can be understood by considering the neutron scattering lengths and masses of the lighter atoms. Monte Carlo ray tracing is used to simulate the scattering, with near quantitative agreement with the data in UC, and some differences with US. The possibility of observing anharmonicity and anisotropy in the potentials of the light atoms is investigated in UC. Lastly, the observed data is well accounted for by considering each light atom as a single atom isotropic quantum harmonic oscillator.},

  doi          = {10.1103/PhysRevB.93.014306},

  journal      = {Physical Review B},

  number       = 1,

  volume       = 93,

  place        = {United States},

  year         = {2016},

  month        = {1}

}

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https://doi.org/10.1103/PhysRevB.93.014306

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journal, August 2019

Lin, Jiao Y. Y.; Islam, Fahima; Sala, Gabriele
Journal of Physics Communications, Vol. 3, Issue 8
DOI: 10.1088/2399-6528/ab3622

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Similar Records

Title: Light atom quantum oscillations in UC and US

Abstract

Citation Formats

Antiferromagnetic structures of USb and UBi journal, June 1969

Magnetic moment distribution in uranium monosulphide journal, September 1972

Actinide chalcogenides and pnictides. III. Optical-phonon frequency determination in UX and ThX compounds by neutron scattering journal, September 1974

Spin and phonon excitations in actinide systems journal, October 1980

Spin and phonon response in uranium compounds journal, March 1981

Spin correlations in uranium nitride near the ordering temperature journal, December 1982

Magnetic excitations and lattice vibrations in uranium rock‐salt structure compounds journal, March 1982

Magnetic excitations in uranium nitride journal, July 1984

Exploration of magnetic excitation behaviour of actinide compounds with neutron scattering journal, February 1983

Systematic study of the lattice dynamics of the uranium rocksalt-structure compounds journal, May 1986

The magnetism of the uranium chalcogenides journal, January 1987

Spin‐wave polarization in single domain uranium selenide journal, April 1987

An investigation of the magnetic structure of uranium nitride by neutron diffraction journal, December 1965

Uranium Monosulfide. The Ferromagnetic Transition. The Heat Capacity and Thermodynamic Properties from 1.5° to 350°K journal, January 1968

A US perspective on fast reactor fuel fabrication technology and experience. Part II: Ceramic fuels journal, August 2009

Electronic correlation and transport properties of nuclear fuel materials journal, November 2011

First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of UN journal, September 2013

Quantum oscillations of nitrogen atoms in uranium nitride journal, January 2012

SEQUOIA: A fine resolution chopper spectrometer at the SNS journal, November 2006

SEQUOIA: A Newly Operating Chopper Spectrometer at the SNS journal, November 2010

Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source journal, January 2012

The theory of neutron scattering from mixed harmonic solids journal, June 1983

Local Modes and Hydrogen Potentials in Metal Hydrides journal, February 1987

Strong anharmonic H(D) vibrations in the δ-phase of titanium hydride: observation of bound multiphonon states journal, June 1992

Inelastic neutron scattering study of ordered gamma -ZrH journal, October 1994

Vibrational states for hydrogen in palladium journal, November 1991

Where do the H atoms reside in PdH x systems? journal, June 2003

Phonon measurements in uranium monosulphide journal, May 1985

The phonon dispersion relation for magnesium oxide journal, March 1967

Neutron scattering lengths and cross sections journal, January 1992

Spin dynamics in the quantum antiferromagnetic chain compound KCuF 3 journal, December 1991

MCViNE – An object oriented Monte Carlo neutron ray tracing simulation package journal, February 2016

Advanced sources and optical components for the McStas neutron scattering instrument simulation package journal, January 2014

McStas, a general software package for neutron ray-tracing simulations journal, January 1999

McStas 1.7 - a new version of the flexible Monte Carlo neutron scattering package journal, July 2004

Fast Monte Carlo simulation of a dispersive sample on the SEQUOIA spectrometer at the SNS journal, January 2007

Localized vibrations ofH andD in Ta and their relation to theH(D) potential journal, September 1981

Structure in the Neutron Scattering Spectra of Zirconium Hydride journal, October 1971

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism journal, April 1990

Optimized pseudopotentials journal, January 1990

Generalized Gradient Approximation Made Simple journal, October 1996

Recent developments of MCViNE and its applications at SNS journal, August 2019

Antiferromagnetic structures of USb and UBi
journal, June 1969

Magnetic moment distribution in uranium monosulphide
journal, September 1972

Actinide chalcogenides and pnictides. III. Optical-phonon frequency determination in UX and ThX compounds by neutron scattering
journal, September 1974

Spin and phonon excitations in actinide systems
journal, October 1980

Spin and phonon response in uranium compounds
journal, March 1981

Spin correlations in uranium nitride near the ordering temperature
journal, December 1982

Magnetic excitations and lattice vibrations in uranium rock‐salt structure compounds
journal, March 1982

Magnetic excitations in uranium nitride
journal, July 1984

Exploration of magnetic excitation behaviour of actinide compounds with neutron scattering
journal, February 1983

Systematic study of the lattice dynamics of the uranium rocksalt-structure compounds
journal, May 1986

The magnetism of the uranium chalcogenides
journal, January 1987

Spin‐wave polarization in single domain uranium selenide
journal, April 1987

An investigation of the magnetic structure of uranium nitride by neutron diffraction
journal, December 1965

Uranium Monosulfide. The Ferromagnetic Transition. The Heat Capacity and Thermodynamic Properties from 1.5° to 350°K
journal, January 1968

A US perspective on fast reactor fuel fabrication technology and experience. Part II: Ceramic fuels
journal, August 2009

Electronic correlation and transport properties of nuclear fuel materials
journal, November 2011

First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of UN
journal, September 2013

Quantum oscillations of nitrogen atoms in uranium nitride
journal, January 2012

SEQUOIA: A fine resolution chopper spectrometer at the SNS
journal, November 2006

SEQUOIA: A Newly Operating Chopper Spectrometer at the SNS
journal, November 2010

Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source
journal, January 2012

The theory of neutron scattering from mixed harmonic solids
journal, June 1983

Local Modes and Hydrogen Potentials in Metal Hydrides
journal, February 1987

Strong anharmonic H(D) vibrations in the δ-phase of titanium hydride: observation of bound multiphonon states
journal, June 1992

Inelastic neutron scattering study of ordered gamma -ZrH
journal, October 1994

Vibrational states for hydrogen in palladium
journal, November 1991

Where do the H atoms reside in PdH _x systems?
journal, June 2003

Phonon measurements in uranium monosulphide
journal, May 1985

The phonon dispersion relation for magnesium oxide
journal, March 1967

Neutron scattering lengths and cross sections
journal, January 1992

Spin dynamics in the quantum antiferromagnetic chain compound ${KCuF}_{3}$
journal, December 1991

MCViNE – An object oriented Monte Carlo neutron ray tracing simulation package
journal, February 2016

Advanced sources and optical components for the McStas neutron scattering instrument simulation package
journal, January 2014

McStas, a general software package for neutron ray-tracing simulations
journal, January 1999

McStas 1.7 - a new version of the flexible Monte Carlo neutron scattering package
journal, July 2004

Fast Monte Carlo simulation of a dispersive sample on the SEQUOIA spectrometer at the SNS
journal, January 2007

Localized vibrations ofH andD in Ta and their relation to theH(D) potential
journal, September 1981

Structure in the Neutron Scattering Spectra of Zirconium Hydride
journal, October 1971

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990

Optimized pseudopotentials
journal, January 1990

Generalized Gradient Approximation Made Simple
journal, October 1996

Recent developments of MCViNE and its applications at SNS
journal, August 2019