Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations

Hu, Lin; Wirth, Brian D.; Maroudas, Dimitrios

doi:10.1063/1.4986956

Title: Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations

Abstract

We report results on the lattice thermal conductivities of tungsten single crystals containing nanoscale-sized pores or voids and helium (He) nanobubbles as a function of void/bubble size and gas pressure in the He bubbles based on molecular-dynamics simulations. For reference, we calculated lattice thermal conductivities of perfect tungsten single crystals along different crystallographic directions at room temperature and found them to be about 10% of the overall thermal conductivity of tungsten with a weak dependence on the heat flux direction. The presence of nanoscale voids in the crystal causes a significant reduction in its lattice thermal conductivity, which decreases with increasing void size. Filling the voids with He to form He nanobubbles and increasing the bubble pressure leads to further significant reduction of the tungsten lattice thermal conductivity, down to ~20% of that of the perfect crystal. The anisotropy in heat conduction remains weak for tungsten single crystals containing nanoscale-sized voids and He nanobubbles throughout the pressure range examined. Analysis of the pressure and atomic displacement fields in the crystalline region that surrounds the He nanobubbles reveals that the significant reduction of tungsten lattice thermal conductivity in this region is due to phonon scattering from the nanobubbles, as well asmore »« less

Authors:

Hu, Lin ^[1]; Wirth, Brian D. ^[2]; Maroudas, Dimitrios ^[1]

Univ. of Massachusetts, Amherst, MA (United States)
Univ. of Tennessee, Knoxville, TN (United States)

Publication Date:: Wed Aug 23 00:00:00 EDT 2017

Research Org.:: Univ. of Massachusetts, Amherst, MA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Fusion Energy Sciences (FES)

OSTI Identifier:: 1473863

Alternate Identifier(s):: OSTI ID: 1375965

Grant/Contract Number:: SC0008875

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 111; Journal Issue: 8; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; Plasmas; Interatomic Potentials; Nanofluidics; Phonon Scattering; Transition Metals

Citation Formats


                    Hu, Lin, Wirth, Brian D., and Maroudas, Dimitrios. Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4986956.

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                    Hu, Lin, Wirth, Brian D., & Maroudas, Dimitrios. Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations.  United States.  https://doi.org/10.1063/1.4986956

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                    Hu, Lin, Wirth, Brian D., and Maroudas, Dimitrios. Wed .  
"Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations".  United States.  https://doi.org/10.1063/1.4986956.  https://www.osti.gov/servlets/purl/1473863.

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@article{osti_1473863,

  title        = {Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations},

  author       = {Hu, Lin and Wirth, Brian D. and Maroudas, Dimitrios},

  abstractNote = {We report results on the lattice thermal conductivities of tungsten single crystals containing nanoscale-sized pores or voids and helium (He) nanobubbles as a function of void/bubble size and gas pressure in the He bubbles based on molecular-dynamics simulations. For reference, we calculated lattice thermal conductivities of perfect tungsten single crystals along different crystallographic directions at room temperature and found them to be about 10% of the overall thermal conductivity of tungsten with a weak dependence on the heat flux direction. The presence of nanoscale voids in the crystal causes a significant reduction in its lattice thermal conductivity, which decreases with increasing void size. Filling the voids with He to form He nanobubbles and increasing the bubble pressure leads to further significant reduction of the tungsten lattice thermal conductivity, down to ~20% of that of the perfect crystal. The anisotropy in heat conduction remains weak for tungsten single crystals containing nanoscale-sized voids and He nanobubbles throughout the pressure range examined. Analysis of the pressure and atomic displacement fields in the crystalline region that surrounds the He nanobubbles reveals that the significant reduction of tungsten lattice thermal conductivity in this region is due to phonon scattering from the nanobubbles, as well as lattice deformation around the nanobubbles and formation of lattice imperfections at higher bubble pressure.},

  doi          = {10.1063/1.4986956},

  journal      = {Applied Physics Letters},

  number       = 8,

  volume       = 111,

  place        = {United States},

  year         = {Wed Aug 23 00:00:00 EDT 2017},

  month        = {Wed Aug 23 00:00:00 EDT 2017}

}

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Works referencing / citing this record:

An empirical law on the finite-size effects in electronic transport calculations of tungsten
journal, September 2019

He, Zhihai; Ye, X. B.; Ding, W. Y.
AIP Advances, Vol. 9, Issue 9
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Title: Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations

Abstract

Citation Formats

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Modeling Helium Segregation to the Surfaces of Plasma-Exposed Tungsten as a Function of Temperature and Surface Orientation journal, January 2017

Nanostructure formation on tungsten exposed to low-pressure rf helium plasmas: A study of ion energy threshold and early stage growth journal, August 2011

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Dynamics of small mobile helium clusters near tungsten surfaces journal, August 2014

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Interactions of mobile helium clusters with surfaces and grain boundaries of plasma-exposed tungsten journal, May 2014

An improved N -body semi-empirical model for body-centred cubic transition metals journal, July 1987

Probing helium nano-bubble formation in tungsten with grazing incidence small angle x-ray scattering journal, March 2015

Measurement of the thermal conductivity of helium using a hot-wire type of thermal diffusion column journal, October 1968

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

Crystal orientation effects on helium ion depth distributions and adatom formation processes in plasma-facing tungsten journal, October 2014

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity journal, April 1997

Thermal conductivity of selected materials report, January 1966

A simple empirical N -body potential for transition metals journal, July 1984

A new interatomic potential function for helium journal, January 1968

TEM observation of the growth process of helium nanobubbles on tungsten: Nanostructure formation mechanism journal, November 2011

Formation process of tungsten nanostructure by the exposure to helium plasma under fusion relevant plasma conditions journal, August 2009

Microscopic damage of tungsten exposed to deuterium–helium mixture plasma in PISCES and its impacts on retention property journal, August 2011

Thermal conductivity reduction of tungsten plasma facing material due to helium plasma irradiation in PISCES using the improved 3-omega method journal, April 2017

Effect of pores and He bubbles on the thermal transport properties of UO2 by molecular dynamics simulation journal, January 2015

Comparison of atomic-level simulation methods for computing thermal conductivity journal, April 2002

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The density and pressure of helium in bubbles in implanted metals: A critical review journal, January 1985

Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten journal, October 2015

Helium impurity transport on grain boundaries: Enhanced or inhibited? journal, June 2015

Interatomic potentials for simulation of He bubble formation in W journal, January 2013

Formation and retention of surface pores in helium-implanted nano-grain tungsten for fusion reactor first-wall materials and divertor plates journal, December 2009

Dynamics of Small Mobile Helium Clusters Near a Symmetric Tilt Grain Boundary of Plasma-Exposed Tungsten journal, January 2017

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An empirical law on the finite-size effects in electronic transport calculations of tungsten journal, September 2019

Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials
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Modeling Helium Segregation to the Surfaces of Plasma-Exposed Tungsten as a Function of Temperature and Surface Orientation
journal, January 2017

Nanostructure formation on tungsten exposed to low-pressure rf helium plasmas: A study of ion energy threshold and early stage growth
journal, August 2011

Helium segregation on surfaces of plasma-exposed tungsten
journal, January 2016

Dynamics of small mobile helium clusters near tungsten surfaces
journal, August 2014

Formation of Nanostructured Tungsten with Arborescent Shape due to Helium Plasma Irradiation
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Thermal stability of helium–vacancy clusters in iron
journal, April 2003

Interactions of mobile helium clusters with surfaces and grain boundaries of plasma-exposed tungsten
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An improved N -body semi-empirical model for body-centred cubic transition metals
journal, July 1987

Probing helium nano-bubble formation in tungsten with grazing incidence small angle x-ray scattering
journal, March 2015

Measurement of the thermal conductivity of helium using a hot-wire type of thermal diffusion column
journal, October 1968

Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Crystal orientation effects on helium ion depth distributions and adatom formation processes in plasma-facing tungsten
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A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity
journal, April 1997

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