Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Molecular dynamics studies of irradiation effects on hydrogen isotope diffusion through nickel crystals and grain boundaries

Journal Article · · Physical Chemistry Chemical Physics. PCCP (Print)
DOI:https://doi.org/10.1039/C7CP06086F· OSTI ID:1429834
 [1];  [2];  [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Molecular dynamics construction of the Arrhenius plot accounts for all possible diffusion paths in defective materials.

Research Organization:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
DOE Contract Number:
AC04-94AL85000
OSTI ID:
1429834
Report Number(s):
SAND2017-9129J; PPCPFQ; 656534
Journal Information:
Physical Chemistry Chemical Physics. PCCP (Print), Vol. 20, Issue 1; ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

References (23)

Hydrogen diffusion and trapping in nickel June 1975
Accelerated diffusion of hydrogen along grain boundaries in nickel September 1996
The use of the natural-gas pipeline infrastructure for hydrogen transport in a changing market structure July 2007
An effect of gamma-neutron irradiation and oxygen admixtures on interaction of hydrogen with austenitic 18Cr–10Ni–Ti steel September 1998
The diffusion and trapping of hydrogen in high purity aluminum November 1998
Hydrogen isotope permeability through austenitic CrNi steels under neutron irradiation October 1996
A climbing image nudged elastic band method for finding saddle points and minimum energy paths December 2000
An analytical bond-order potential for the aluminum copper binary system September 2016
Grain boundary diffusion of hydrogen in nickel February 1991
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points December 2000
Molecular Dynamics Simulations of Hydrogen Diffusion in Aluminum March 2016
Diffusion and Solubility of Hydrogen in Single Crystals of Nickel and Nickel—Vanadium Alloy February 1967
Transient analysis of hydrogen permeation through nickel membranes November 1991
Effects of irradiation and implantation on permeation and diffusion of hydrogen isotopes in iron and martensitic stainless steel June 1997
Grain boundary transport of hydrogen in nickel May 1982
In situ measurement of tritium permeation through stainless steel June 2013
Hydrogen diffusion and permeation in micro- and nanocrystalline nickel November 1993
A space–time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation February 2008
Trapping of hydrogen to lattice defects in nickel May 1995
Fast Parallel Algorithms for Short-Range Molecular Dynamics March 1995
Lattice and Grain Boundary Self‐Diffusion in Silver May 1951
Grain size and grain-boundary effects on diffusion and trapping of hydrogen in pure nickel November 2012
Hydrogen embrittlement of metals January 1972