Kinetic Monte Carlo modeling of cascade aging and damage accumulation in Fe–Cu alloys

Monasterio, Paul R.; Wirth, B. D.; Odette, G.R.

doi:10.1016/j.jnucmat.2006.12.022

Cited by 32 publications

(24 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The IK model is not yet able to account for all of these changes, and therefore predicts the monotonic increase of segregation with dose. 1.29 ± 0.37 [3,14] 1.37 ± 0.44 [2,9] 0.80 ± 0.20 [3,11] N/A N/A T91 500 N/A 0.99 ± 0.17 [2,9] 1.08 ± 0.15 [2,8] 0.87 ± 0.23 [2,7] [2,15] N/A HCM12A 400 TBD 0.33 ± 0.15 [2,7] -0.79 ± 0.18 [2,9] TBD N/A N/A HCM12A 500 N/A TBD -2.02 ± 0.71 [2,5] TBD N/A N/A HT9 400 TBD 0.56 ± 0.16 [4,15] -0.92 ± 0.16 [2,7] -0.96 ± 0.13 [5,16] Inverse Kirkendall model for 400°C irradiation at 10 -5 dpa/sec predicts monotonic increase to steady-state as a function of dose, which is unlike the dose dependence observed in proton-irradiated T91.…”

Section: Dose Dependencementioning

confidence: 99%

Radiation-Induced Segregation and Phase Stability in Candidate Alloys for the Advanced Burner Reactor

Was¹,

Wirth²

2011

View full text Add to dashboard Cite

Project Objective: The objective of this project is to determine the effect of irradiation on the segregation and phase stability in candidate alloys that may be used as structural materials for transmutation in the advanced burner reactor. This project will focus on ferritic-martensitic (F-M) alloys T91 and HT-9, an experimental oxide dispersion-strengthened (ODS) alloy, and an advanced austenitic alloy, D9, to investigate the electronic-magnetic-elastic interactions between chromium and radiation-induced defects. This project seeks to provide an understanding of radiation-induced segregation (RIS) and phase stability that can be used to develop predictive irradiation performance models.

show abstract

Section: Dose Dependencementioning

confidence: 99%

Radiation-Induced Segregation and Phase Stability in Candidate Alloys for the Advanced Burner Reactor

Was¹,

Wirth²

2011

View full text Add to dashboard Cite

show abstract

“…AKMC was used extensively to study Cu precipitation in a-Fe under irradiation as well as under thermal aging, [27][28][29][32][33][34]240] and a review article of AKMC simulations of aging in the FeCu system can be found in Reference 241. The Fe-Al system, typical example of superalloys, was studied by Athenes and co-workers, [242][243][244] who reported the simultaneous occurrence of phase separation and ordering in a two-phase A2/B2 domain.…”

Section: Kmc and Mfrt: Evolution Of The Primary Damagementioning

confidence: 99%

Modeling Microstructure and Irradiation Effects

Becquart

Domain

2010

Metall Mater Trans A

View full text Add to dashboard Cite

This article gives an overview of the strategy followed nowadays to model the evolution of metallic alloy microstructures under irradiation. For this purpose, multiscale approaches are very often used, which rely on modeling techniques appropriate to each time and space scale. The main methods used are ab-initio calculations, classical molecular dynamics (MD), kinetic Monte Carlo (KMC), mean field rate theory (MFRT), and dislocation dynamics (DD). These methods are briefly presented along with some of their typical uses and main drawbacks. Some examples are provided of the typical information obtained with each of the techniques.

show abstract

“…Therefore Multi-scale simulations are necessary to model the change in the material micro-structure [4,5,6]. The sequence of steps in such a study are:…”

Section: Introductionmentioning

confidence: 99%

“…The creation of interstitials and vacancies can be modelled by Binary collision Approximation (BCA) Monte Carlo methods [7,8] or by Molecular Dynamics (MD) [9,10,11]. (iii) The number of Frenkel pairs, their configuration and spatial distribution from the cascade simulations will be an input to lattice and/or object Kinetic Monte Carlo (KMC) simulations [6,12] of diffusive-recombination of the interstitials, interstitial clusters and vacancies to form voids and precipitates. Note that the diffusion and precipitation can occur within the grains or along grain boundaries.…”

Section: Introductionmentioning

confidence: 99%

Multi-scale Modeling of Radiation Damage: Large Scale Data Analysis

Warrier¹,

Bhardwaj²,

Bukkuru³

2016

J. Phys.: Conf. Ser.

View full text Add to dashboard Cite

Abstract. Modification of materials in nuclear reactors due to neutron irradiation is a multiscale problem. These neutrons pass through materials creating several energetic primary knock-on atoms (PKA) which cause localized collision cascades creating damage tracks, defects (interstitials and vacancies) and defect clusters depending on the energy of the PKA. These defects diffuse and recombine throughout the whole duration of operation of the reactor, thereby changing the micro-structure of the material and its properties. It is therefore desirable to develop predictive computational tools to simulate the micro-structural changes of irradiated materials. In this paper we describe how statistical averages of the collision cascades from thousands of MD simulations are used to provide inputs to Kinetic Monte Carlo (KMC) simulations which can handle larger sizes, more defects and longer time durations. Use of unsupervised learning and graph optimization in handling and analyzing large scale MD data will be highlighted.

show abstract

Kinetic Monte Carlo modeling of cascade aging and damage accumulation in Fe–Cu alloys

Cited by 32 publications

References 35 publications

Radiation-Induced Segregation and Phase Stability in Candidate Alloys for the Advanced Burner Reactor

Radiation-Induced Segregation and Phase Stability in Candidate Alloys for the Advanced Burner Reactor

Modeling Microstructure and Irradiation Effects

Multi-scale Modeling of Radiation Damage: Large Scale Data Analysis

Contact Info

Product

Resources

About