Molecular statics calculations of the biases and point defect capture volumes of small cavities

Kohnert, Aaron A.; Cusentino, Mary Alice; Wirth, Brian D.

doi:10.1016/j.jnucmat.2017.12.005

Title: Molecular statics calculations of the biases and point defect capture volumes of small cavities

Authors:

Kohnert, Aaron A.; Cusentino, Mary Alice;

Publication Date:: 2018-02-01

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

OSTI Identifier:: 1548929

Grant/Contract Number:: NE0000639; DOE-DE-SC0006661

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Nuclear Materials

Additional Journal Information:: Journal Name: Journal of Nuclear Materials Journal Volume: 499 Journal Issue: C; Journal ID: ISSN 0022-3115

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Kohnert, Aaron A., Cusentino, Mary Alice, and Wirth, Brian D. Molecular statics calculations of the biases and point defect capture volumes of small cavities.  Netherlands: N. p., 2018. 
Web.  doi:10.1016/j.jnucmat.2017.12.005.

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                    Kohnert, Aaron A., Cusentino, Mary Alice, & Wirth, Brian D. Molecular statics calculations of the biases and point defect capture volumes of small cavities.  Netherlands.  https://doi.org/10.1016/j.jnucmat.2017.12.005

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                    Kohnert, Aaron A., Cusentino, Mary Alice, and Wirth, Brian D. Thu .  
"Molecular statics calculations of the biases and point defect capture volumes of small cavities".  Netherlands.  https://doi.org/10.1016/j.jnucmat.2017.12.005.

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@article{osti_1548929,

  title        = {Molecular statics calculations of the biases and point defect capture volumes of small cavities},

  author       = {Kohnert, Aaron A. and Cusentino, Mary Alice and Wirth, Brian D.},

  abstractNote = {},

  doi          = {10.1016/j.jnucmat.2017.12.005},

  journal      = {Journal of Nuclear Materials},

  number       = C,

  volume       = 499,

  place        = {Netherlands},

  year         = {2018},

  month        = {2}

}

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Title: Molecular statics calculations of the biases and point defect capture volumes of small cavities

Citation Formats

Energetics and formation kinetics of helium bubbles in metals journal, January 1983

Pair potential for Fe–He journal, December 2008

A comparison of displacement cascades in copper and iron by molecular dynamics and its application to microstructural evolution journal, June 1995

Anomalous bias factors of dislocations in bcc iron journal, June 2015

Ferritic/martensitic steels – overview of recent results journal, December 2002

Theory and experimental background on dimensional changes in irradiated alloys journal, October 1994

Self-interstitial atom defects in bcc transition metals: Group-specific trends journal, January 2006

Primary defect production by high energy displacement cascades in molybdenum journal, June 2013

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

Diffusion reactions in long range potentials journal, December 1975

Development of an interatomic potential for phosphorus impurities in -iron journal, June 2004

A critical test of the classical rate theory for void swelling journal, May 2004

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

Void swelling in binary FeCr alloys at 200 dpa journal, August 1995

Control of helium effects in irradiated materials based on theory and experiment journal, November 1986

Void bias factors due to the anisotropy of the point defect diffusion journal, December 1993

Molecular dynamics computer simulations of displacement cascades in metals journal, October 1994

Cluster dynamics models of irradiation damage accumulation in ferritic iron. I. Trap mediated interstitial cluster diffusion journal, April 2015

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

Void nucleation, growth, and coalescence in irradiated metals journal, August 2008

Simulation of the interaction between Fe impurities and point defects in V journal, December 2007

Spatially resolved stochastic cluster dynamics for radiation damage evolution in nanostructured metals journal, November 2013

Critical radius and critical number of gas atoms for cavities containing a van der waals gas journal, May 1984

Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu journal, April 2008

Unified theoretical analysis of experimental swelling data for irradiated austenitic and ferritic/martensitic alloys journal, April 1990

Comparison between three complementary approaches to simulate ‘ large ’ fluence irradiation: application to electron irradiation of thin foils journal, February 2005

Cluster dynamics modeling of the effect of high dose irradiation and helium on the microstructure of austenitic stainless steels journal, January 2016

Molecular dynamics simulation of displacement cascades in α-Fe: A critical review journal, June 2006

Simulating radiation damage accumulation in α -Fe: A spatially resolved stochastic cluster dynamics approach journal, May 2015

Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals journal, August 2007

A theoretical evaluation of dual-beam irradiation experiments journal, August 1978

Computer simulation of point defect properties in dilute Fe—Cu alloy using a many-body interatomic potential journal, March 1997

Development of new interatomic potentials appropriate for crystalline and liquid iron journal, December 2003

Analytical solutions for helium bubble and critical radius parameters using a hard sphere equation of state journal, April 1985

Diffusion of vacancies and interstitials to edge dislocations journal, March 1976

Unlimited damage accumulation in metallic materials under cascade-damage conditions journal, October 2009

Master equation and Fokker–Planck methods for void nucleation and growth in irradiation swelling journal, February 2004

Effect of irradiation mode on the microstructure of self-ion irradiated ferritic-martensitic alloys journal, October 2015

Rate theory for one-dimensional diffusion journal, November 1998

Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach journal, October 2004

Kinetics of coarsening of helium bubbles during implantation and post-implantation annealing journal, April 2007

Stochastic cluster dynamics method for simulations of multispecies irradiation damage accumulation journal, August 2011

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

Progress in modelling the microstructural evolution in metals under cascade damage conditions journal, December 2000

Development of interatomic potentials appropriate for simulation of liquid and glass properties of NiZr 2 alloy journal, July 2012

Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model journal, August 2010

Kinetics of void growth in irradiated metals journal, April 1971

Point defect sink strengths and void-swelling journal, June 1976

Modeling microstructural evolution in fusion reactor environments journal, August 1985

Modeling the long-term evolution of the primary damage in ferritic alloys using coarse-grained methods journal, November 2010

Cascade damage evolution: rate theory versus kinetic Monte Carlo simulations journal, December 2007

Comparison of swelling and irradiation creep behavior of fcc-austenitic and bcc-ferritic/martensitic alloys at high neutron exposure journal, January 2000

Combining in situ transmission electron microscopy irradiation experiments with cluster dynamics modeling to study nanoscale defect agglomeration in structural metals journal, June 2012

The rate theory of swelling due to void growth in irradiated metals journal, August 1972

Vacancy cluster evolution in metals under irradiation journal, August 1985

Energetics and formation kinetics of helium bubbles in metals
journal, January 1983

Pair potential for Fe–He
journal, December 2008

A comparison of displacement cascades in copper and iron by molecular dynamics and its application to microstructural evolution
journal, June 1995

Anomalous bias factors of dislocations in bcc iron
journal, June 2015

Ferritic/martensitic steels – overview of recent results
journal, December 2002

Theory and experimental background on dimensional changes in irradiated alloys
journal, October 1994

Self-interstitial atom defects in bcc transition metals: Group-specific trends
journal, January 2006

Primary defect production by high energy displacement cascades in molybdenum
journal, June 2013

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

Diffusion reactions in long range potentials
journal, December 1975

Development of an interatomic potential for phosphorus impurities in -iron
journal, June 2004

A critical test of the classical rate theory for void swelling
journal, May 2004

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

Void swelling in binary FeCr alloys at 200 dpa
journal, August 1995

Control of helium effects in irradiated materials based on theory and experiment
journal, November 1986

Void bias factors due to the anisotropy of the point defect diffusion
journal, December 1993

Molecular dynamics computer simulations of displacement cascades in metals
journal, October 1994

Cluster dynamics models of irradiation damage accumulation in ferritic iron. I. Trap mediated interstitial cluster diffusion
journal, April 2015

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

Void nucleation, growth, and coalescence in irradiated metals
journal, August 2008

Simulation of the interaction between Fe impurities and point defects in V
journal, December 2007

Spatially resolved stochastic cluster dynamics for radiation damage evolution in nanostructured metals
journal, November 2013

Critical radius and critical number of gas atoms for cavities containing a van der waals gas
journal, May 1984

Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu
journal, April 2008

Unified theoretical analysis of experimental swelling data for irradiated austenitic and ferritic/martensitic alloys
journal, April 1990

Comparison between three complementary approaches to simulate ‘ large ’ fluence irradiation: application to electron irradiation of thin foils
journal, February 2005

Cluster dynamics modeling of the effect of high dose irradiation and helium on the microstructure of austenitic stainless steels
journal, January 2016

Molecular dynamics simulation of displacement cascades in α-Fe: A critical review
journal, June 2006

Simulating radiation damage accumulation in $α$ -Fe: A spatially resolved stochastic cluster dynamics approach
journal, May 2015

Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals
journal, August 2007

A theoretical evaluation of dual-beam irradiation experiments
journal, August 1978

Computer simulation of point defect properties in dilute Fe—Cu alloy using a many-body interatomic potential
journal, March 1997

Development of new interatomic potentials appropriate for crystalline and liquid iron
journal, December 2003

Analytical solutions for helium bubble and critical radius parameters using a hard sphere equation of state
journal, April 1985

Diffusion of vacancies and interstitials to edge dislocations
journal, March 1976

Unlimited damage accumulation in metallic materials under cascade-damage conditions
journal, October 2009

Master equation and Fokker–Planck methods for void nucleation and growth in irradiation swelling
journal, February 2004

Effect of irradiation mode on the microstructure of self-ion irradiated ferritic-martensitic alloys
journal, October 2015

Rate theory for one-dimensional diffusion
journal, November 1998

Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach
journal, October 2004

Kinetics of coarsening of helium bubbles during implantation and post-implantation annealing
journal, April 2007

Stochastic cluster dynamics method for simulations of multispecies irradiation damage accumulation
journal, August 2011

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

Progress in modelling the microstructural evolution in metals under cascade damage conditions
journal, December 2000

Development of interatomic potentials appropriate for simulation of liquid and glass properties of NiZr ₂ alloy
journal, July 2012

Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model
journal, August 2010

Kinetics of void growth in irradiated metals
journal, April 1971

Point defect sink strengths and void-swelling
journal, June 1976

Modeling microstructural evolution in fusion reactor environments
journal, August 1985

Modeling the long-term evolution of the primary damage in ferritic alloys using coarse-grained methods
journal, November 2010

Cascade damage evolution: rate theory versus kinetic Monte Carlo simulations
journal, December 2007

Comparison of swelling and irradiation creep behavior of fcc-austenitic and bcc-ferritic/martensitic alloys at high neutron exposure
journal, January 2000

Combining in situ transmission electron microscopy irradiation experiments with cluster dynamics modeling to study nanoscale defect agglomeration in structural metals
journal, June 2012

The rate theory of swelling due to void growth in irradiated metals
journal, August 1972

Vacancy cluster evolution in metals under irradiation
journal, August 1985