Journal ArticleDOI
Nucleation path of helium bubbles in metals during irradiation
TLDR
In this article, a thermodynamic formalization for describing the nucleation and growth of helium bubbles in metals during irradiation is developed for evaluating both microstructural changes in fusion first wall materials and those in fusion diverter materials where helium particles with low energy are directly implanted.Abstract:
A thermodynamic formalization is developed for description of the nucleation and growth of helium bubbles in metals during irradiation. The proposed formalization is available for evaluating both microstructural changes in fusion first wall materials where helium is produced by (n, α) nuclear transmutation reactions, and those in fusion diverter materials where helium particles with low energy are directly implanted. The calculated nucleation barrier is significantly reduced by the presence of helium, showing that a helium bubble with an appropriate number of helium atoms depending on bubble size can nucleate without any large nucleation barriers, even at a condition where an empty void has very large nucleation barriers without helium. With the proposed thermodynamic formalization, the nucleation and growth process of helium bubbles in iron during irradiation is simulated by the kinetic Monte Carlo (KMC) technique. It shows the nucleation path of a helium bubble on the (N He, N V) space as functions of t...read more
Citations
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Journal ArticleDOI
Recent progress toward development of reduced activation ferritic/martensitic steels for fusion structural applications
Richard J. Kurtz,A. Alamo,Enrico Lucon,Qing Huang,S. Jitsukawa,Akihiko Kimura,Ronald L. Klueh,G.R. Odette,C. Petersen,Mikhail A. Sokolov,Philippe Spätig,J.W. Rensman +11 more
TL;DR: Significant progress has been achieved in the international research effort on reduced activation ferritic/martensitic steels for fusion structural applications as discussed by the authors, which is the leading structural material for test blankets in ITER and future fusion power systems.
Journal ArticleDOI
Diffusion and transformation kinetics of small helium clusters in bulk tungsten
TL;DR: In this paper, the behavior of small clusters of He atoms in W in conditions relevant to fusion energy production is studied. But the authors focus on the early stages of He exposure leading up to the nucleation of He bubbles.
Journal ArticleDOI
Synergistic effects in hydrogen?helium bubbles
Erin Hayward,Chaitanya Deo +1 more
TL;DR: The observed synergy is explained as a consequence of bubble growth through helium induced loop punching, aided by the presence of hydrogen, instead of as a direct interaction between hydrogen and helium.
Journal ArticleDOI
Formation of dislocation loops during He clustering in bcc Fe.
TL;DR: The clustering of helium in bcc (body centered cubic) iron and the growth of a helium bubble are simulated at the atomistic level for the helium-rich vacancy-poor condition and it is shown that a ½ 111< linear span> dislocation loop is formed as a sequential collection of crowdions.
Journal ArticleDOI
On the formation of the porous structure in nanostructured a-Si coatings deposited by dc magnetron sputtering at oblique angles
V. Godinho,Pavel Moskovkin,Rafael Alvarez,J. Caballero-Hernández,Roland Schierholz,B Bera,Julien Demarche,Alberto Palmero,Asunción Fernández,Stéphane Lucas +9 more
TL;DR: It is concluded that the chemical nature of the sputter gas not only affects the sputtering mechanism of Si atoms from the target and their subsequent transport in the gaseous/plasma phase towards the film, but also the pore formation mechanism and dynamics.
References
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Book
Understanding Molecular Simulation: From Algorithms to Applications
Daan Frenkel,Berend Smit +1 more
TL;DR: In this paper, the physics behind molecular simulation for materials science is explained, and the implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.
Book
Understanding molecular simulation: from algorithms to applications
Daan Frenkel,Berend Smit +1 more
TL;DR: Understanding molecular simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science as discussed by the authors, and provides a good understanding of the basic principles of simulation.
Journal ArticleDOI
Theoretical foundations of dynamical Monte Carlo simulations
TL;DR: If a ‘‘dynamical hierarchy’’ of transition probabilities is created which also satisfy the detailed‐balance criterion, then Monte Carlo methods may be utilized to simulate the Poisson process and both static and dynamic properties of model Hamiltonian systems may be obtained and interpreted consistently.
Journal ArticleDOI
Computer simulation of point defect properties in dilute Fe—Cu alloy using a many-body interatomic potential
TL;DR: In this paper, a set of many-body interatomic potentials has been developed for the Fe-Cu system, including modifications to ensure suitability for simulating atomic collisions at high energy.
BookDOI
Interatomic potentials and simulation of lattice defects
TL;DR: In this article, a model of a planar square lattice is used to simulate the effect of point defects on the Lattice Green Function. But the model is not suitable for the simulation of complex lattice models.