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Title: Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas

Abstract

We present a study of the role of boron and oxygen in the chemistry of deuterium retention inboronized ATJ graphi te irradiated by the extreme environment of a tokamak deuterium plasma. The experimental results were obtained by the first XPS measurements inside the plasma chamber of the National Spherical Torus Experiment Upgrade, between the plasma exposures. The subtle interplay of boron, carbon, oxygen and deuterium chemistry is explained by reactive molecular dynamics simulations, verified by quantum–classical molecular dynamics and successfully compared to the measured data. The calculations deciphered the roles of oxygen and boron for the deuterium retention and predict deuterium uptake into a boronized carbon surface close in value to that previously predicted for a lithiated and oxidized carbon surface.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [2];  [3];  [4];  [4];  [5]
  1. Stony Brook Univ., NY (United States). Inst. for Advanced Computation Science
  2. Univ. of Illinois at Urbana-Champaign, IL (United States). Dept. of Nuclear, Plasma, and Radiological Engineering
  3. Nagoya Univ. (Japan). Inst. of Transformative Bio-Molecules (WPI-ITbM)
  4. Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)
  5. Princeton Univ., NJ (United States). Dept. of Chemical and Biological Engineering
Publication Date:
Research Org.:
Univ. of Illinois at Urbana-Champaign, IL (United States); Princeton Univ., NJ (United States); State Univ. of New York (SUNY), Albany, NY (United States); Oak Ridge National Laboratory, Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565603
DOE Contract Number:  
SC0010717; SC0012890; SC0013752
Resource Type:
Journal Article
Journal Name:
Nuclear Fusion
Additional Journal Information:
Journal Volume: 57; Journal Issue: 8; Journal ID: ISSN 0029-5515
Publisher:
IOP Science
Country of Publication:
United States
Language:
English
Subject:
Physics

Citation Formats

Domínguez-Gutiérrez, F. Javier, Bedoya, Felipe, Krstić, Predrag S., Allain, Jean P., Irle, Stephan, Skinner, Charles H., Kaita, Robert, and Koel, Bruce. Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas. United States: N. p., 2017. Web. doi:10.1088/1741-4326/aa7b17.
Domínguez-Gutiérrez, F. Javier, Bedoya, Felipe, Krstić, Predrag S., Allain, Jean P., Irle, Stephan, Skinner, Charles H., Kaita, Robert, & Koel, Bruce. Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas. United States. doi:10.1088/1741-4326/aa7b17.
Domínguez-Gutiérrez, F. Javier, Bedoya, Felipe, Krstić, Predrag S., Allain, Jean P., Irle, Stephan, Skinner, Charles H., Kaita, Robert, and Koel, Bruce. Fri . "Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas". United States. doi:10.1088/1741-4326/aa7b17.
@article{osti_1565603,
title = {Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas},
author = {Domínguez-Gutiérrez, F. Javier and Bedoya, Felipe and Krstić, Predrag S. and Allain, Jean P. and Irle, Stephan and Skinner, Charles H. and Kaita, Robert and Koel, Bruce},
abstractNote = {We present a study of the role of boron and oxygen in the chemistry of deuterium retention inboronized ATJ graphi te irradiated by the extreme environment of a tokamak deuterium plasma. The experimental results were obtained by the first XPS measurements inside the plasma chamber of the National Spherical Torus Experiment Upgrade, between the plasma exposures. The subtle interplay of boron, carbon, oxygen and deuterium chemistry is explained by reactive molecular dynamics simulations, verified by quantum–classical molecular dynamics and successfully compared to the measured data. The calculations deciphered the roles of oxygen and boron for the deuterium retention and predict deuterium uptake into a boronized carbon surface close in value to that previously predicted for a lithiated and oxidized carbon surface.},
doi = {10.1088/1741-4326/aa7b17},
journal = {Nuclear Fusion},
issn = {0029-5515},
number = 8,
volume = 57,
place = {United States},
year = {2017},
month = {7}
}

Works referenced in this record:

Distributed Divertor Radiation through Convection in DIII-D
journal, June 1997


Aspects of simulation of neutron damage by ion irradiation
journal, October 1994


Overview of ASDEX Upgrade results
journal, August 2011


Divertor heat flux mitigation in high-performance H-mode discharges in the National Spherical Torus Experiment
journal, September 2009


Plasma-material interactions in current tokamaks and their implications for next step fusion reactors
journal, December 2001


Deuterium Uptake in Magnetic-Fusion Devices with Lithium-Conditioned Carbon Walls
journal, March 2013


Chemical response of lithiated graphite with deuterium irradiation
journal, March 2011

  • Taylor, C. N.; Heim, B.; Allain, J. P.
  • Journal of Applied Physics, Vol. 109, Issue 5
  • DOI: 10.1063/1.3555097

Fusion materials science: Overview of challenges and recent progress
journal, May 2005


Plasma facing surface composition during NSTX Li experiments
journal, July 2013


Unraveling wall conditioning effects on plasma facing components in NSTX-U with the Materials Analysis Particle Probe (MAPP)
journal, July 2016

  • Bedoya, F.; Allain, J. P.; Kaita, R.
  • Review of Scientific Instruments, Vol. 87, Issue 11
  • DOI: 10.1063/1.4955276

Effect of boronization on ohmic plasmas in NSTX
journal, March 2002


Materials analysis and particle probe: A compact diagnostic system for in situ analysis of plasma-facing components (invited)
journal, October 2012

  • Taylor, C. N.; Heim, B.; Gonderman, S.
  • Review of Scientific Instruments, Vol. 83, Issue 10
  • DOI: 10.1063/1.4729262

Development progress of the Materials Analysis and Particle Probe
journal, November 2014

  • Lucia, M.; Kaita, R.; Majeski, R.
  • Review of Scientific Instruments, Vol. 85, Issue 11
  • DOI: 10.1063/1.4890257

ReaxFF:  A Reactive Force Field for Hydrocarbons
journal, October 2001

  • van Duin, Adri C. T.; Dasgupta, Siddharth; Lorant, Francois
  • The Journal of Physical Chemistry A, Vol. 105, Issue 41
  • DOI: 10.1021/jp004368u

ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion
journal, April 2010

  • Weismiller, Michael R.; van Duin, Adri C. T.; Lee, Jongguen
  • The Journal of Physical Chemistry A, Vol. 114, Issue 17
  • DOI: 10.1021/jp100136c

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


Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
journal, September 1998

  • Elstner, M.; Porezag, D.; Jungnickel, G.
  • Physical Review B, Vol. 58, Issue 11, p. 7260-7268
  • DOI: 10.1103/PhysRevB.58.7260

Implementation and benchmark tests of the DFTB method and its application in the ONIOM method
journal, January 2009

  • Zheng, Guishan; Lundberg, Marcus; Jakowski, Jacek
  • International Journal of Quantum Chemistry, Vol. 109, Issue 9
  • DOI: 10.1002/qua.22002

Oxygen retention in D-ion-irradiated B4C and boron-doped graphites
journal, September 1994


XPS, SIMS and FTIR-ATR characterization of boronized graphite from the thermonuclear plasma device RFX-mod
journal, November 2015


Dynamics of deuterium retention and sputtering of Li–C–O surfaces
journal, October 2012


Measurements and 2-D modeling of recycling and edge transport in discharges with lithium-coated PFCs in NSTX
journal, August 2011